Mass Cytometry: An ICP-MS Approach For Single-Cell Analysis

LE
BR
AT I N G
www.spectroscopyonline.com
O
UR
CE
May 2015 Volume 30 Number 5
0T
H YEA
Mass Cytometry:
An ICP-MS Approach
for Single-Cell Analysis
An Interlaboratory Comparison
Study for Arsenic Determination
New Spectroscopy Products
at Pittcon 2015
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ES604142_SPEC0515_007_FP.pgs 04.24.2015 01:26
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May 2015
CONTENTS

COLUMN
May 2015
Volume 30 Number 5
Atomic Perspectives . . . . . . . . . . . . . . . . . . . . . . . 14
Mass Cytometry: An Evolution in ICP-MS
Enabling Novel Insights in Single-Cell Biology
New developments in mass cytometry are enabling advances in the study of cellular
functions such as apoptosis, cell signaling pathways, the cell cycle, and DNA damage.
Farah Virani and Scott Tanner
FEATURED ARTICLE
2015 Review of Spectroscopic Instrumentation . . . . . . . . . . . . . . . . . . .
24
Our annual review of products introduced at Pittcon or during the previous year, broken
down into the following categories:
Cover image courtesy of

Image Source/Getty Images.
Accessories . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Atomic Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Components . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Mass Spectrometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Mid-IR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
NIR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
NMR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Raman . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Software . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
UVVisible. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
X-ray . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
26
28
28
35
37
39
41
41
41
41
46
Howard Mark and Mike Bradley
ON THE WEB
WEB SEMINARS
Demystifying Sample Preparation
for Trace Metal Analysis: How
Automation Can Make Light Work
of the Sample-to-Results Workflow
Daniel Kutscher, PhD, and Sanja Asendorf,
Thermo Fisher Scientific
The Diversity of UV/Vis/NIR
Techniques for Nanomaterial
Characterization:
Jeffrey Taylor and Chady Stephan,
PerkinElmer, Inc.
New Ways of Automating Analysis in
Confocal Raman Imaging
Thomas Dieing, PhD, WITec
What Does USP Chapter <2232> on
Elemental Contaminants in Dietary
Supplements Mean for You?
Robert Thomas, Scientific Solutions
spectroscopyonline.com/SpecWebSeminars
Like Spectroscopy on Facebook:
www.facebook.com/SpectroscopyMagazine
Follow Spectroscopy on Twitter:
https://twitter.com/spectroscopyMag
Join the Spectroscopy Group on LinkedIn
http://linkd.in/SpecGroup
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PEER-REVIEWED ARTICLE
An Interlaboratory Comparison Study for the Determination
of Arsenic and Arsenic Species in Rice, Kelp, and Apple Juice . . . . . . . . . . .
48
This study enabled participating laboratories to evaluate their analytical capability to

determine arsenic species. The results indicate that further method development needs to
be carried out to achieve a higher level of consistency across laboratories worldwide.
Michelle L. Briscoe, Tamas M. Ugrai, Joel Creswell, and Annie T. Carter
DEPARTMENTS
News Spectrum:
Near-Infrared Hyperspectral Imaging Detects Peanut Contamination . . . . . . . . . . . 12
Is There a Spectroscopy App for That?
The APE Optics Calculator. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
Products & Resources . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62
Calendar . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65
Showcase and Ad Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66
Spectroscopy (ISSN 0887-6703 [print], ISSN 1939-1900 [digital]) is published monthly by UBM Life Sciences 131 West First Street,
Duluth, MN 55802-2065. Spectroscopy is distributed free of charge to users and specifiers of spectroscopic equipment in the United
States. Spectroscopy is available on a paid subscription basis to nonqualified readers at the rate of: U.S. and possessions: 1 year (12
issues), $74.95; 2 years (24 issues), $134.50. Canada/Mexico: 1 year, $95; 2 years, $150. International: 1 year (12 issues), $140; 2 years (24
issues), $250. Periodicals postage paid at Duluth, MN 55806 and at additional mailing offices. POSTMASTER: Send address changes to
Spectroscopy, P.O. Box 6196, Duluth, MN 55806-6196. PUBLICATIONS MAIL AGREEMENT NO. 40612608, Return Undeliverable Canadian Addresses to: IMEX Global Solutions, P. O. Box 25542, London, ON N6C 6B2, CANADA. Canadian GST number: R-124213133RT001.
Printed in the U.S.A.
ES606646_Spec0515_008.pgs 04.27.2015 23:24
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ES608725_SPEC0515_009_FP.pgs 04.29.2015 01:03
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May 2015
Editorial Advisory Board

Fran Adar Horiba Scientific
R.D. McDowall McDowall Consulting
Ramon M. Barnes University of Massachusetts
Gary McGeorge Bristol-Myers Squibb
Matthieu Baudelet University of Central Florida

Paul N. Bourassa Blue Moon Inc.
Linda Baine McGown Rensselaer Polytechnic Institute

Robert G. Messerschmidt Rare Light, Inc.
Francis M. Mirabella Jr. Mirabella Practical Consulting Solutions, Inc.
Michael S. Bradley Thermo Fisher Scientific

Deborah Bradshaw Consultant
Ellen V. Miseo Hamamatsu Corporation

John Monti Montgomery College
Ashok L. Cholli Polnox Corporation
Michael L. Myrick University of South Carolina
David Lankin University of Illinois at Chicago,
John W. Olesik The Ohio State University
College of Pharmacy
Barbara S. Larsen DuPont Central Research
Jim Rydzak GlaxoSmithKline

Jerome Workman Jr. Unity Scientific
and Development
Ian R. Lewis Kaiser Optical Systems
Rachael R. Ogorzalek Loo University of California Los Angeles, David
Geffen School of Medicine
Spectroscopys Editorial Advisory Board is a group of distinguished individuals

assembled to help the publication fulfill its editorial mission to promote the effective use of spectroscopic technology as a practical research and measurement tool.
With recognized expertise in a wide range of technique and application areas, board
members perform a range of functions, such as reviewing manuscripts, suggesting
authors and topics for coverage, and providing the editor with general direction and
feedback. We are indebted to these scientists for their contributions to the publication and to the spectroscopy community as a whole.
Howard Mark Mark Electronics
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ES604028_Spec0515_010.pgs 04.23.2015 23:48
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ES604143_SPEC0515_011_FP.pgs 04.24.2015 01:26
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May 2015
News Spectrum
Near-Infrared Hyperspectral Imaging
Detects Peanut Contamination
The team tested this system on samples of wheat flour

spiked with powder from four types of peanuts, including
raw, blanched, and roasted, at concentrations varying
between 0.01% and 10%. The system was able to detect
peanut contaminations even at concentrations as low as
0.01%, although it could only accurately determine the
level of contamination between 0.1% and 10%.
New research indicates that near-infrared (NIR)

hyperspectral imaging may be an effective way to detect
peanut contamination in processed foods (1).
Even at trace levels, peanut contamination can be
a major problem for people with severe allergies,
potentially triggering a life-threatening reaction. Any
Reference
food product may contain traces of peanuts if it is made
(1) P. Mishra, A. Herrero-Langreo, P. Barreiro, J.M. Roger,
with powdered foodstuffs such as wheat flour that were
B. Diezma, N. Gorretta, and L. Lle, J. Near Infrared
ground up in a facility that also grinds up peanuts, which
Spectrosc. 23(1), 1522 (2015). doi: http://dx.doi.
means it can be impossible to prevent contamination
org/10.1255/jnirs.1141.
from occurring.
It was already known that peanut
powder generates NIR spectra that
are different from those of various
other powdered foodstuffs, including
wheat flour, milk, and cocoa. The
problem with conventional NIR
HIGHLIGHTS OF APPS FOR SPECTROSCOPY
spectroscopy is that it collects an
average NIR spectrum over a large
4G
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area, meaning that trace peanut
contamination may be missed.
APP NAME: APE Optics Calculator
To solve that problem, a team
OFFERED BY: Stefan Popien
of scientists at the Madrid
Polytechnic University (UPM) in
PLATFORMS: Android (requires 1.6 and up); iPhone, iPad,
and iPod (requires iOS 6.1 or later; optimized for iPhone 5)
Spain and the French National
Institute for Environmental and
WHAT IT DOES: The APE Optics Calculator app is deAgricultural Technologies (IRSTEA),
signed to help users evaluate nonlinear equations, inled by Puneet Mishra, used NIR
cluding sum frequency generation, difference frequency
hyperspectral imaging. Each pixel
generation, the wavelength relations in an optical paracan contain spectral information
metric oscillator, and in coherent anti-Stokes Raman
scattering (CARS) spectroscopy. Reportedly, the converabout peanut contamination,
sion between wavelength, wavenumber, and frequency
making it much more sensitive than
as
well as different characterizations of pulses can be
conventional NIR spectroscopy and
calculated.
allowing it to detect trace levels of
peanut over a large area.
COST: Free
As a first test, the scientists
confirmed that peanut powder
generates NIR spectra that are
different from wheat flour when
analyzed by NIR hyperspectral
imaging, allowing the two powders
to be distinguished from each other.
Next, the team developed a
scoring system that could determine
whether or not specific pixels in
an image of wheat flour contained
peanut powder. Using this scoring
system, they could then estimate
the level of contamination simply by
determining the percentage of pixels
that contained spectra of peanut
powder.
IS THERE AN APP FOR THAT?
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ES604224_Spec0515_012.pgs 04.24.2015 01:30
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ES604230_SPEC0515_013_FP.pgs 04.24.2015 01:31
ADV
May 2015
Atomic Perspectives
Mass Cytometry: An Evolution in

ICP-MS Enabling Novel Insights
in Single-Cell Biology
A novel adaptation to inductively coupled plasmamass spectroscopy (ICP-MS), mass cytometry provides researchers with a tool to study the complexity of biology at the single-cell level. New insights into
the interrogation of high dimensional data systems using unsupervised data networking algorithms are
enabling the application of mass cytometry to the study of the diversity of cell subsets, as well as to
determine cellular functions such as apoptosis, cell signaling pathways, the cell cycle, and DNA damage.
Farah Virani and Scott Tanner
ass cytometry uses reporter molecules (typically

antibodies) tagged with transition-metal isotopes
to label cells from blood, tissues, or cell cultures.
The metal-tagged antibodies specifically bind to their target proteins, and the mass cytometer measures the expression of these biomarkers in each individual cell according
to the type and amount of each metal detected. The current instrument configuration provides users with more
than 120 detection channels at an acquisition rate of up to
1000 cells per second.
Mass cytometry has been used as a tool for accurate cell
profiling, providing researchers with a detailed understanding of the diversity of cell subsets, as well as to determine
cellular functions such as apoptosis, cell signaling pathways,
the cell cycle, and DNA damage. Using levels of expression
of particular cell differentiation markers, researchers have
dramatically improved the ability to discern the cell lineages
and cellular hierarchy in hematopoiesis. Bendall and colleagues (1) recently used a 44-marker phenotyping and signaling panel to discover and functionally profile rare B cell
progenitors involved in immunoglobulin heavy chain rear-
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rangement and to order cells according to their developmental timing. The intensity of expression of these cell lineage
markers provides insight into the unique cell differentiation
pathway of hematopoietic cells and detects multiple pathways across a number of cell subsets (2,3).
The mass cytometer provides researchers with a tool to
examine normal and diseased cells and interrogate the cells
to understand biological processes. The addition of cytokines and drugs to stimulate or suppress specific markers
provides a more complete picture of the pathway-specific
signaling responses in various cell types (3). Cancer-specific
panels of markers are designed to provide a deeper understanding of the intracellular biology involved in the progression of cancers and drug response (including resistance) and
can be expected to lead to more-informed treatment decisions in the future.
Isotope Resolution
Mass cytometry provides an advantage over current flow
cytometry methods by obviating the need for fluorescence
compensation because of spectral overlap of fluorochromes.
ES604417_Spec0515_014.pgs 04.24.2015 02:12
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ES604140_SPEC0515_015_FP.pgs 04.24.2015 01:26
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May 2015
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Yb
Lu
Dy
Gd
Eu
Pr
Ho
Tb
70
60
50
40
30
794
771
748
725
702
679
656
633
610
587
564
541
518
495
472
449
426
10
403
20
10
380
20
138
143
148
153
158
163
168
173
178
Mass (stable isotope)
Wavelength
Figure 1: An eight-parameter flow cytometry experiment illustrating the spectral overlap between the fluorochromes. Mass cytometry involves
the collection of mass spectral data in distinct channels with 1 amu space between each channel.
Mass cytometry elements

Live/dead cell markers
Mass-tag cell barcoding (MCB)
Figure 2: The periodic table highlighting the lanthanide-transition group of elements (pink),
the live-dead cell markers (dark grey), and the mass tag cell barcoding metal (light gray) used
in mass cytometry experiments. Rh, Ir, and Pt are used for the determination of cell viability in
mass cytometry, and Pd isotopes can be used for mass tag cell barcoding (MCB).
The resolution of the mass cytometer

allows discrimination of isotopes separated by one atomic mass unit with
minimal spectral overlap and increases
the number of markers that can be
measured simultaneously in a single
cell, as seen in Figure 1.
Currently, 15 transition metals
provide up to 36 isotopes with unique
masses that fall within the mass range
of detection of the instrument as exemplified in Figure 2. The palladium (Pd)
metal is also highlighted here because
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of its utility in cell barcoding using

mass cytometry, which is discussed
in detail below. These isotopes have
low natural abundance in biological
systems and therefore will not interfere
with single-cell analysis (4).
The reporter metal tags are attached to antibodies through the use
of metal-chelating polymer (MCP)
labels. MCPs are water-soluble polymers bearing multiple metal-chelating
ligands and are critical components
of mass cytometric bioassays. These
metal-chelating polymers incorporate 1,4,7,10-tetraazacylcododecane1,4,7,10-tetraacetic acid (DOTA) or

diethylene triamine pentaacetic acid
(DTPA) (4,5), that bind the metal and a
terminal maleimide group for coupling
to the Fc portion of an antibody. The
performance of the metal-chelating
polymers in biological applications is
related to their own structure. Current
research is focused on the development of metal-chelating polymers with
different structures or longer chains
that will allow for the incorporation
of more metal chelators, thereby increasing the signal levels of the metal
reporter and extending the function
of the mass cytometer instrument.
The other expanding area of research
involves the use of water-soluble lanthanide up-conversion nanoparticles,
which can increase the number of
metal atoms incorporated to provide
a stronger signal for low copy number
biomarkers. The surface functionalization and bioconjugation of these
molecules has been the topic of intense
research in recent years.
Instrumental Components
The mass cytometer technology
(CyTOF 2, Fluidigm Corporation)
discussed in this column installment
consists of five major components
including sample introduction, the
inductively coupled plasma (ICP), the
ion optics and time-of-flight (TOF)
analyzer, and the detector. Sample in
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May 2015
Spectroscopy 30(5) 17
Table I: Mass cytometer operating conditions

Parameter
Plasma power
Plasma (coolant)
Ar gas flow
Auxiliary Ar gas flow
Nebulizer Ar gas flow
Make-up Ar gas flow
Sample liquid flow
Spray chamber
temperature
Spray chamber type
Mass analyzer type
Spectral
acquisition rate
Spectral binning
Mass range
Value
1500 W
17 SLPM
1.0 SLPM
~0.2 SLPM
~0.7 SLPM
0.045 mL/min
Direct in-line
low flow
TOF
76,800 spectra/s
Nebulizer gas
(~0.3 L/min)
Make-up gas
(~0.7 L/min)
Figure 3: The cell suspension is injected into the nebulizer as argon gas flows through the
nebulizer and spray chamber, carrying the sample to the ICP torch. A makeup gas is used to
optimize the plasma conditions independently of the optimization of the nebulizer gas, which
impacts the integrity of individual cells.
None
89209 amu
n Choose k
Barcode Scheme
k=3
10*
20*
* = n!/(k! [n - k]!)
To ICP torch
200 C
Table II: The n choose k barcode scheme

as applied to mass cell barcoding in mass
cytometry analysis (8)
Number of Barcode
Channels n
Liquid cell
suspension
(45 L/mL)
Torch
RF load coil
Vaporization
Plasma
Atomization
To interface
From spray chamber
Figure 4: The vaporization, atomization, and ionization of cell droplets in the high-temperature argon
plasma. Cells are extracted through a vacuum interface on their journey to the TOF mass analyzer.
website: www.RigakuEDXRF.com
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Ionization
Applied Rigaku Technologies, Inc.

| email: info@RigakuEDXRF.com
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May 2015
(b)
(a)
(c)
(d)
(e)
(g)
Element
(h)
Element C
(f)
Element A
Figure 5: Mass cytometry workflow: (a) Cells labeled with metal-conjugated antibodies in
solution are injected into (b) the nebulizer. They are aerosolized and reduced to single cellcontaining droplets. (c) The cells are directed to the ICP torch, where they are vaporized,
atomized, and ionized in the plasma. (d) The high pass optic removes the low-mass ions and
the photons, resulting in an ion cloud that enters (e) the TOF mass analyzer. The ions are
separated based on their mass-to-charge ratio and are accelerated to the detector. (f) The
detector measures the quantity of each isotope for each individual cell in the sample; data are
generated in (g) an FCS format and (h) analyzed.
HSC MRP
CMP
Pro-B
Pre-B I
Pre-B II
Monoblast
NK NKT
Monocyte
Pro-monocyte
Pre-DC
GMP
Plasmacytoid DC
Myelocyte
Promyelocyte
CD38mid CD3- platelet
CD38- CD3- platelet
CD38mid CD3mid - platelet
Naive CD8+ T
Memory CD8+ T
Native CD4+ T
Memory CD4+ T
Immature B
Mature B
IL-3R + mature B
Plasma cell
Erythroblast
Erythrocyte
-16
16
Figure 6: The SPADE analysis of human hematopoietic cells in human bone marrow samples.
CD34 (shown here) was used to define the T-cell lineages. Adapted from reference 15 with
permission from Elsevier.
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the form of a liquid cell suspension is

introduced into the mass cytometer
instrument at a flow rate of 45 L/min
within a stream of argon gas as shown
in Figure 3. The cells pass through a
concentric nebulizer and exit through
a tapered end, where they are aerosolized into fine single-cell droplets, after
which they pass into the spray chamber. The spray chamber is heated to a
temperature of approximately 200 C,
resulting in the vaporization of the remaining water associated with the cells
within the heated argon gas, minimizing sample condensation as it travels
toward the plasma. The result is that
individual cells exit the spray chamber
in a humid argon gas stream. The complete list of operating conditions are
shown in Table I.
Principles of Operation
The single-cells associated with the
specific isotope-tagged antibodies are
injected into the ICP and subsequently
vaporized, atomized, and ionized.
Figure 4 depicts the ICP and the
formation of ion clouds from individual cells stained with metal-labeled
antibodies. The particles in the
sample that are introduced into the
plasma are ionized to produce an ion
cloud. The ion cloud associated with
individual particles, which includes
the ionized metal tags that report on
the protein content of the cells, diffuses as it flows in the plasma. At the
point of extraction, the ion cloud is
approximately 2 mm in diameter and
is flowing at a velocity of approximately 10 m/s. The plasma is extracted
through a three-aperture plasmavacuum interface, such that the ion cloud
produces a transient pulse of cellassociated particles that is pseudoGaussian with a half width of ~200
s. After the ions are largely separated
from the un-ionized plasma gas, they
pass through a high pass optic that
transmits ions above ~80 amu that
are then directed toward the TOF
analyzer, wherein they are separated
according to their mass-to-charge
ratio. The signal from the detector is
digitized by an analog-to-digital converter (ADC) and the data in time are
converted to mass and integrated into
ES604418_Spec0515_018.pgs 04.24.2015 02:12
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an analog intensity value and an integrated number of ions

(4). The mass spectra are recorded in 13-s intervals, and
the data are exported as FCS3.0 files, which are considered
the standard flow cytometry data file format (6).
Because of the high dimensionality and complexity
of the data collected, several analytical techniques have
been applied to mass cytometry, some examples of which
include spanning tree progression analysis (SPADE), principal component analysis (PCA), and the t-distributed
stochastic neighbor embedding (t-SNE) algorithm called
viSNE. These unsupervised data analysis tools are discussed in further detail.
Mass Cytometry Workflow

The workflow of mass cytometry parallels that of conventional (optical) flow cytometry. Various monoclonal and
polyclonal antibodies reactive with intracellular and cell
surface antigens that are validated for flow cytometry can
be used to recognize their corresponding proteins, which
is demonstrated in Figure 5. A solution of enriched lanthanide is added to the polymer and incubated, followed by
several washing steps. The antibody is conjugated to the
metal-loaded polymer. For intracellular marker staining,
cells are fixed and permeabilized, then incubated with the
metal-tagged antibodies (4). The efficiency and avidity of
tagging antibodies is improved with large-scale conjugation and is, in part, responsible for the trend toward using
commercially available metal-labeled reagents.
May 2015
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Methods for the Determination of Viable Cells

Usually, one to three million cells are surface-stained with
the metal-conjugated antibodies. The ability to determine
the number of live or dead cells in an experiment is crucial
to the dependability of data generated by mass cytometry.
There are two currently accepted techniques used in mass
cytometry. The first involves the addition of iridium(III)
Ir- and rhodium(III) Rh-intercalators. The intercalators
are used in nuclear staining and are stable in aqueous solution (4). Cells are first stained with Rh-intercalator, which
stains only the dead cells, and then the Ir-intercalator,
which is applied to fixed and permeabilized cells at the end
of the staining protocol, thus staining all cells. This process allows for the determination of viable cells. This also
provides a flag for cellular events that can be useful during
data interpretation.
The second accepted method for determination of viable cells involves the use of cisplatin. Recent studies cite
platinum-based compounds as beneficial in the identification of nonviable cells. For example, cisplatin, a DNA
damaging agent used in chemotherapy, can be used to
resolve live and dead cells using mass cytometry (7). In
this case, commercially available cisplatin contains 195Pt.
Analogous to the commercially available fluorescent viability dyes such as propidium iodide and 7-aminoactinomycin (7-AAD), cisplatin can penetrate the plasma
membrane and react with proteins in dead cells. The other
advantage of incorporating this compound into mass cy-
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ES604416_Spec0515_019.pgs 04.24.2015 02:12
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May 2015
See the
Invisible...
tometry experiments compared to other viability reagents

is that it is applicable to a wide range of mass cytometry
experiments including suspension cells and primary tissue
samples and the resulting covalent modifications ensures
stability during cell processing, which may involve several
cycles of washing (7).
Compensating for Signal Drift

A significant variable to consider in most ICP-mass spectrometry (MS) instruments is that they undergo some drift
in the signal over time because of several different factors
including a buildup of cellular material and daily maintenance procedures that can alter performance between
samples. The reflection of these variations in the final data
can be minimized using normalization algorithms built
into the software, using a particle-based analog of internal
standardization. Samples are spiked with commercially
available metal-encoded polyacrylamide beads that incorporate four lanthanides cerium, europium, holmium,
and lutetium encompassing the middle masses of the
range of the instrument. Conveniently, the use of normalization beads allows not only normalization within a run
or between different runs on the same instrument, but also
allows direct comparison between different instruments
and different laboratories.
Cell Barcoding in Mass Cytometry
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Ideally, the conditions for sample preparation of mass

cytometry samples in a given experiment across multiple stimulations should be uniform, therefore there is
an advantage to processing samples and acquiring data
from related samples simultaneously (6). One approach
to improve the efficiency of multiparameter assays uses
pooled sample analysis with cell barcoding and has been
used extensively in various types of bioassays such as
DNA sequencing and enzyme-linked immunosorbent assays (ELISA) (8). This technique, originally conceived as
fluorescence cell barcoding, is now being applied to mass
cytometry experiments. Mass-tag cell barcoding (MCB)
relies on the addition of unique combinatorial barcodes
of metal isotopes to label individual cell samples that are
then pooled for processing and measured as one single
multiplexed sample (9). Multiplexing of samples using
MCB increases sample throughput, eliminates variability
between samples during antibody tagging procedures,
reduces consumption of reagents, and improves instrument sensitivity (8,9). Palladiums six naturally occurring
isotopes 102Pd, 104Pd, 105Pd, 106Pd, 108Pd, and 110Pd
make it an excellent candidate as a barcoding reagent.
The use of these Pd-based barcoding reagents does not
interfere with antibody detection channels that are in
wide use now, and yet still falls within the mass range of
the instrument. The barcoding scheme also helps to filter
out doublets, or the false interpretation of two or more
cells as a single cell (8). The singlet barcode is represented
by the presence of only three of the six possible barcodes
(6-choose-3 MCB). The scheme allows the multiplexing of
ES604419_Spec0515_020.pgs 04.24.2015 02:12
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up to 20 different samples using barcoding while eliminating the doublets for rapid unbiased sample deconvolution. Table II shows the barcode scheme as applied to
mass cytometry.
Interpretation of Data
After the data have been collected and are ready for analysis there are several options for interpretation of mass cytometry data. Currently, two platforms are the most commonly used to support cytometry data: Cytobank (10) and
FlowJo (11). Data can be imported into Cytobank, and several forms of data interpretation can be carried out within
this platform. Cytobank provides users the ability to look
at large datasets in parallel. Researchers can manipulate,
analyze, and share these large datasets. FlowJo allows users
to manipulate datasets in a variety of ways: gate the data
and remove outliers, select from various types of graphs,
and change individual parameters. Users can isolate single
cell types from a population and then overlay bivariate
two-dimensional (2D) scatter plots of combinations of all
the parameters in the experiment.
Data collected from mass cytometry experiments contains extremely high dimensionality; therefore, supervised methods of data analysis may require significant
involvement of the data analyst. There are several methods
that researchers can use to interrogate data obtained in
mass cytometry experiments that are unsupervised and
hypothesis-generating (6). This type of computer-assisted
gating and clustering of populations may provide users
with a better view of the bigger picture. Lets review three
of the types of software used in recent publications: PCA,
SPADE, and viSNE.
PCA takes data collected with a large number of
variables for a single population and reduces it to a few
interpretable linear combinations. This condenses the dimensionality of the dataset to provide a low-dimensional
picture. This method was used by Newell and colleagues
(12). Metal-encoded tetramer probes were used to stain
human peripheral blood samples and these were examined
using 25 metal-labeled antibodies to cell differentiation
and signaling molecules. The subpopulations of CD8+
memory T-cells were gated by known surface marker phenotypes in CD8+ memory T-cells in human peripheral
blood samples. Data from subpopulations of cells was
clustered according to phenotypic and functional characteristics. The results of the study illustrated the diversity
of memory cells and the changes in expression levels of
markers as the cells transition from effector memory cells
to central memory cells.
Another example of algorithms that cluster larger cohorts of samples, SPADE, provides a platform to cluster
data in multidimensional space and reduce it to a 2D representation using the minimum spanning tree algorithm.
This methodology provides a means to extract hierarchical
data from high-dimensional mass cytometry analysis in an
unsupervised manner. The tool has been integrated into
both FlowJo and Cytobank and provides the ability to in-
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ease of use. Pathlengths range from 1 to 20
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precision, and chemical resistance. Baseplate
mounts provide complete integration with the
spectrometer. Enclosed transfer optics can be
purged to eliminate atmospheric interferences
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ES604423_Spec0515_021.pgs 04.24.2015 02:13
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terrogate various parameters between

clusters. A transformational study by
Bendall and colleagues (2) compared
34 parameters simultaneously in
healthy human bone marrow samples
using single-cell mass cytometry.
The study examined 18 intracellular
proteins and 13 cell surface markers
and the response to various immune
modulators and drugs. The data was
compared to results obtained by flow
cytometry. The large bubbles in Figure 6 (15) represent the cell populations based on surface marker expression (manually annotated), and the
size of each circle within the bubble
represents the relative frequency of
cells that fall within a 13-dimensional
node. The study provided a thorough
view of the continuum of cellular differentiation within cell subsets in the
human hematopoietic system based
on surface antigen expression, and a
deeper understanding of cell and humoral immunity.
A third type of clustering tool
used extensively in mass cytometry
is viSNE, which is used to reduce
high-parameter data to two dimensions, providing a visual picture
of rare biological subsets, and gate
single-cell events across different
samples (13). Cells are placed on a 2D
biaxial plot, with related cells being
positioned closer together than unrelated cells. Recent studies examined
healthy human bone marrow cells
and compared this to bone marrow in
leukemic patient samples using viSNE
(14). The maps generated by these two
populations had a very distinct display in the 2D space, and the leukemia
samples were less consistent in shape
compared to the healthy cells (14).
Other studies have looked at Tregs
(regulatory T cells) from peripheral
blood mononuclear cells (PBMCs) and
have confirmed that the presence of
nave, effector, terminal effector, and
Helios subsets of Tregs can be determined by examining a panel of nine
cell surface and intracellular markers
using viSNE analysis (13).
Final Thoughts
Mass cytometry builds on the capabilities of ICP-MS to exquisitely detect
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May 2015
and provide absolute quantification

of stable elements. The coupling of
antibodies to cell surface or intracellular antigens to metal-containing
polymers allows the detection of a
multitude of proteins in the cell. The
resulting high dimensional datasets
can be clustered using various data
mining algorithms that are unsupervised in nature, thereby providing
researchers with critical insights into
the relationships between proteins in
the cell. Atomic mass spectrometry has
already provided important insights
into disciplines as diverse as immunology, cancer biology, vaccine development, drug discovery, and translational
medicine. The emerging recognition
of the importance of studying biology
at the single cell level, and the depth
of information that simultaneous determination of many proteins offers,
is reflected in the number and breadth
of application publications using mass
cytometry. We should anticipate that
the development of novel MCPs will
expand the assay panel to well beyond
36 simultaneous parameters, and that
creative approaches to data analysis
will expose the complexity of cellular
systems and thus improve our understanding of disease, health, and the
transition between them.
(8) E.R. Zunder, R. Finck, G.K. Behbehani,

E.-a.D. Amir, S. Krishnaswamy, V.D.
Gonzalez, C.G. Lorang, Z. Bjornson, M.H.
Spitzer, B. Bodenmiller, W.J.l. Fant, D.
Peer, and G.P. Nolan, Nat. Protoc. 10,
316333 (2015).
(9) B. Bodenmiller et al., Nat. Biotechnol. 30,
858867 (2012).
(10) Cytobank, available at: https://www.
cytobank.org/.
(11) FlowJo Software (Version 10), available
at: http://www.flowjo.com/.
(12) E.W. Newell, N. Sigal, N. Nair, B.A. Kidd,
H.B. Greenberg, and M.M. Davis, Nat.
Biotechnol. 31, 623629 (2013).
(13) M.A.P. Konrad, E.F. Simonds, S.C.
Bendall, T.C. George, T.J. Chen, and P.
Delucci, Analysis of Mass Cytometry
Data with viSNE Reveals Phenotypic Heterogeneity with Human Tregs (American
Academy of Immunology, 2014).
(14) E.-a.D. Amir, K.L. Davis, M.D. Tadmor,
E.F. Simonds, J.H. Levine, S.C. Bendall,
D.K. Shenfeld, S. Krishnaswamy, G.P.
Nolan, and D. Peer, Nat. Biotechnol.
31(6), 545552 (2013).
(15) G.P. Nolan in Best Practice & Research
Clinical Haematology 24(4) (Elsevier
Ltd., 2011), pp. 505-508, http://www.
sciencedirect.com/science/article/pii/
S1521692611000855.
References
Farah Virani, MSc,
(1) S.C. Bendall, K.L. Davis, E.-a.D. Amir, M.D.

Tadmor, E.F. Simonds, T.J. Chen, D.K.
Shenfeld, G.P. Nolan, and D. Peer, Cell
157(3), 714725 (2014).
(2) S.C. Bendall et al., Science 332, 687696
(2011).
(3) S.C. Bendall and G.P. Nolan, Nat. Biotechnol. 30, 639647 (2012).
(4) O. Ornatsky, D. Bandura, V. Baranov, M.
Nitz, M.A. Winnik, and S. Tanner, J. Immunol. Methods 361, 120 (2010).
(5) X. Lou, G. Zhang, I. Herrera, R. Kinach, O.
Ornatsky, V. Baranov, M. Nitz, and M.A.
Winnik, Angew. Chem. Int. Ed. Engl. 46,
61116114 (2007).
(6) S.D. Tanner, V.I. Baranov, O.I. Ornatsky,
D.R. Bandura, and T.C. George, Cancer
Immunol. Immunother. 62, 955965
(2013).
(7) H.G. Fienberg, E.F. Simonds, W.J. Fantl,
G.P. Nolan, and B. Bodenmiller, Cytometry A 81, 467475 (2012).
is a scientific and technical writer at Fluidigm

Corporation in South San
Francisco, California.
Scott Tanner, PhD,

is one of the four inventors
of the mass cytometer and
is currently the Chief Technology Officer (CTO) at Fluidigm Corporation. Direct
correspondence to: Scott.
Tanner@fluidigm.com
For more information on this topic,

please visit our homepage at:
ES604421_Spec0515_022.pgs 04.24.2015 02:13
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ES606943_SPEC0515_023_FP.pgs 04.28.2015 01:17
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May 2015
2015 Review of New

Spectroscopic Instrumentation
Our annual review of products introduced at Pittcon and throughout the past year
Howard Mark and Mike Bradley
very year, we prepare this review of new spectroscopy

products to make it easy for you to stay up to date on
the latest instrumentation, accessories, components, and
software. Traditionally, we have referred to this article as the
Pittcon review. The more general name we are using this
year reflects the fact that our coverage is not limited to products introduced at this annual conference; we also include
products introduced over the past year since our last review,
and the information presented here is gathered from Pittcon
exhibits as well as through a survey.
Nevertheless, the majority of the products mentioned here
were presented at Pittcon 2015 in New Orleans, Louisiana, so
it is worth continuing our practice of looking at how many
people attended Pittcon this year, as well as how many companies exhibited there. According to data available on the
Pittcon website, final attendance this year was 14,272 (down
from 16,255 the year before), and 924 companies were present
(down from 946), 129 of which were exhibiting there for the
first time (up from 120). Of course, not all of those companies
offer spectroscopy products, and we certainly were not able to
obtain information from all of them either through visiting
booths at Pittcon or through our survey.
As usual, the review is organized according to the wavelength region and type of spectroscopy involved. The categories we used in this review to classify the instruments (in
alphabetical order) are
Accessories
Atomic spectroscopy
Components
Mass spectrometry
Mid-IR
NIR
NMR
Raman
Software
UVvis
X-ray (which includes all shorter-wavelength methods, if
present).
Imaging is not a separate section in the review; imaging devices are reported in the corresponding technology section. This
years review does not include sections for fluorescence or tera-
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hertz spectroscopy, because there were too few entries to warrant

separate categories for them. Those few fluorescence instruments
can be found under UVvis, and the terahertz instruments can be
found under components. This year we continue our practice of
providing additional details about all the products in a series of appendixes, available at www.spectroscopyonline.com/2015-review.
A novel aspect of this years review is the presence of more
than one author. In assessing last years review, we realized that
it is simply not possible for one person to know enough about
all the different technologies presented at Pittcon and do a
proper job of describing them. For each product category, one
of us dealt with the forest, comparing the state and the evolution of the technology and the various instruments, while the
other dealt with the trees of the details of each instrument.
One overarching trend seemed apparent: the development of
special-purpose analyzers (as opposed to the use of generalpurpose spectrometers for a particular analysis). To be sure, such
devices have existed for a long time; for example the origins of
the pulse oximeter (used to measure blood oxygenation) can be
traced back as far as 1935, while the modern form of this device
was developed in 1972 and commercialized in 1981. Similarly, a
spectroscopic bodyfat meter was developed in the 1980s. Both of
these devices are notable in that they use dedicated hardware and
software, and terms such as spectrum, spectroscopic, or any
similar terms are missing from their description only the final
measurement is described. Dedicated devices such as the ones
mentioned above started to appear at this years Pittcon, whereas
they were previously announced in conferences oriented toward
the medical community. Furthermore, they are starting to be developed by companies previously known for their general-purpose instruments. Well have to keep an eye on this in the future.
We are pleased to note that this year, two of the winners of
the Pittcon Editors Awards were spectroscopically oriented:
Gold went to Shimadzus Nexera UC, a hyphenated product
for supercritical fluid extraction cleanupsupercritical fluid
chromatographymass spectrometry (SFESFCMS). Silver
went to Waterss Full Spectrum Molecular Imaging system.
Accessories
Many of the improvements to existing instruments often
have to do with sample handling. Accessory manufacturers
ES604640_Spec0515_024.pgs 04.24.2015 03:23
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2014 PerkinElmer, Inc. 400298_01. All trademarks or registered trademarks are the property of PerkinElmer, Inc. and/or its subsidiaries.
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ES604159_SPEC0515_025_FP.pgs 04.24.2015 01:26
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have approached problems of extreme

environments, such as in on-line and
at-line applications, with new solutions.
Guided Wave announced new accessories for use in high-pressure, flowing
pipelines, and chemically aggressive
environments. Automation continues
to grow, with companies like Teledyne
Cetac and Questron presenting new
sample introduction methods for spectrometers showing decreased manual
needs. Verder has addressed special
requirements, such as the generation of
ultrafine powders, and Milestone is offering treatments in specially designed
microwave ovens. Savillex has new injectors for inductively coupled plasma
(ICP) systems and laser ablation tools
for MS.
On a more mundane, but critical level,
suppliers are showing a good recognition of the importance of the regulatory
landscape. Spex CertiPrep, Starna Cells,
and Inorganic Ventures are providing
new traceable standards and new storage methods that enable better expiration times to provide options for busy
analytical laboratories. Inorganic Ventures has a new line of standards that is
useful for calibrating all types of instruments. Spex CertiPrep now offers singleelement standards for ICP analysis, accredited by A2LA under ISO 17025 and
ISO Guide 34. In addition, Ocean Optics announced a new sampler as well as
surface-enhanced Raman spectroscopy
(SERS) substrates. Finally, TeledyneCetac has two new sample preparation
systems.
We also saw new products this year
from other accessory manufacturers. CEM has a microwave digestion
system operating at pressures and
temperatures as high as 700 psi and
300 C, respectively. Glass Expansion
provides a temperature-controlled
spray chamber for ICP-optical emission spectroscopy (OES) and ICP-MS
with a temperature range of 25 C to
+60 C. Jasco makes a new attenuated
total reflectance (ATR) accessory that
is designed for the analysis of liquids,
solids, and powders. Magritek is providing new hardware and software for
monitoring and control of continuous
reactions. Ocean Optics provides SERS
substrates in addition to its instrument
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May 2015
Table I: Index of companies mentioned in this article

Company Name
1st Detect
ABB
ACD/Labs
Andor Technologies
Applied Rigaku Technologies, Inc.
Art Photonics
Attodyne Lasers
Autoscribe Informatics, Inc.
Avantes
BaySpec
BioTools
Block Engineering
Bruker Optik GmbH
B&W Tek, Inc.
CAMO Software
CEM Corporation
Cobolt
Cosa Xentaur Corporation
EDAX, Inc.
Edinburgh Instruments
Excellims Corporation
Fiveash Data Management, Inc. (FDM)
Glass Expansion
GratingWorks
Guided Wave
Hanby Petroanalysis
Headwall Photonics, Inc.
Hiden Analytical
Horiba Scientifc
Industrial Test Systems
Inorganic Ventures
IONICON Analytik
Jasco
JDSU
J&M Analytik
JMScience
Magritek
McPherson
Metrohm
Category Listed Under

Mass spectrometry
NIR
Software
Components
X-ray
NIR
Components
Software
Components and NIR
Components, mass spectrometry, and Raman
Raman
Mid-IR
Mid-IR, NIR, and Raman
Atomic, NIR, Raman, and UVvis
Software
Accessories, software, and UVvis
Components
NMR
X-ray
Raman
Mass spectrometry
Software
Accessories
UVvis
Accessories and NIR
UVvis
UVvis
Mass spectrometry
Atomic and software
UVvis
Accessories
Mass spectrometry
Accessories, mid-IR, Raman, and UVvis
NIR
UVvis
Components
Accessories and software
Components and UVvis
Raman
Milestone, Inc.
Newport
Ocean Optics
Ondax
PANalytical
PerkinElmer, Inc.
Photonis
Prism Analytical Technologies
Quantum Northwest
Questron
Real-Time Analyzers, Inc.
Rigaku Raman Technologies
RPMC Lasers
Savillex
SciAps, Inc.
Shimadzu Scientifc Instruments
Accessories
Components
Accessories, atomic, and UVvis
Raman
NIR and X-ray
Accessories, atomic, and UVvis
Accessories
Mid-IR
Accessories and UVvis
Accessories
NIR
Raman
Components
Accessories
Atomic
Atomic, mass spectrometry, and UVvis
ES604641_Spec0515_026.pgs 04.24.2015 03:23
ADV
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ES604160_SPEC0515_027_FP.pgs 04.24.2015 01:27
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May 2015
Table I: Index of companies mentioned in this article (continued)

Company Name
Si-Ware Systems
Specac Inc.
Spectral Evolution
Spectral Systems LLC
SPECTRO Analytical Instruments
Spectrum Scientifc Inc.
Spex CertiPrep
Starna Cells
StellarNet
Tec5usa Inc.
TechnoSpex Pte. Ltd.
Teledyne CETAC
Teledyne/Judson
Texas Instruments
Thermo Fisher Scientifc
Tornado Spectral Systems
Verder Scientifc Inc.
VUV Analytics
Waters Corporation
WITec GmbH
lines and other products. PerkinElmer

is manufacturing microscopes for use
with spectrometers. Photonis has an
Ion Beam Profiler. Quantum Northwest
provides a six-position, linear cuvette
changer with environmental control.
Spectral Systems, LLC, makes f low
cells designed for continuous flow IR
transmission. StellarNet provides a fluorescence spectrometer-to-microscope
adapter, for those scientists who already
have a microscope. Thermo Fisher Scientific has a monolithic diamond ATR
accessory.
See Table II and the on-line information for more details about these
products.
Atomic Spectroscopy
The growth of laser-induced breakdown spectroscopy (LIBS) is a welcome trend in the atomic spectroscopy
field. The ability of lasers to generate
the analyte emission simplifies sample
preparation in many cases, even while
decreasing the total sample size needed
for the analysis. The limits on accuracy
and detection currently mean that
ICP, graphite furnace, and atomic absorption (AA) remain stalwarts in the
field and continued development of
these is visible in several new products
but LIBS is proving capable in handheld instruments and laboratory tools,
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Category Listed Under

NIR
Accessories
UVvis
Accessories
Atomic and X-ray
UVvis
Accessories
Accessories
Accessories, atomic, NIR, and UVvis
UVvis
Raman
Accessories
Components
Components
Accessories, NMR, and Raman
Raman
Accessories
Components
Mass spectrometry
Raman
so we expect further growth of this

technique. B&W Tek is providing two
LIBS instruments. One is a lightweight,
handheld, and battery-operated unit
for quick results, the other a larger and
more robust unit. The larger one is also
portable, in that at 12 lb you dont need
a truck to move it around (our personal
definition of portable), but its not
what anyone would consider handheld. SciAps, Inc., is also providing a
LIBS instrument; at 4 lb it is the worlds
smallest handheld LIBS unit. Stellarnet
offers a LIBS unit that can be preconfigured for open and measure operation. (See also Edinburgh Instruments
in the Raman section of this review.)
In other atomic technologies, Horiba
has a new spectrofluorometer with highend capabilities, as one would expect
from Horiba. Some of the advanced features available are a dual-grating turret
and ultrashort pulses for fluorescence
lifetime measurement. Ocean Optics has
new versions of what might be considered legacy technologies: a flame spectrometer and a spark microspectrometer. Both of these technologies hark
back to the early days of spectroscopy,
but were brought up to date with modern electronics. PerkinElmer also has
a new flame atomic absorption (FAA)
spectrometer, brought up to date with
the latest in a touch-screen user inter-
face. Shimadzu has an instrument that

can simultaneously perform ICP and
atomic emission spectroscopy (AES), as
well as an ultrafast fluorescence spectrofluorophotometer. SPECTRO Analytical
Instruments presents a high-resolution
ICP-OES spectrometer that can quickly
change from axial to radial observation.
See Table III and the on-line information for more details about these
products.
Components
As part of the trend toward specialpurpose analyzers, we note that various
component suppliers are providing applications-specific building blocks. For
example, companies such as Attodyne,
RPMC, and Cobolt are showing a wide
array of lasers. Similarly, Andor and
Teledyne Judson are making detectors
available as a prominent part of their
product offerings and McPherson
provides spectrometer components.
Vendors can compile these blocks
into their interpretation of the market
needs, producing devices specific for
oil analysis and pesticides. Much of
the innovation in instrument design
involves incorporating these tools,
such as with electron-multiplying
charge-coupled devices (EMCCDs) and
specific lasers being built into Raman
spectrometers by a variety of vendors.
Although some special-purpose analyzers are being developed through
specialty instrumentation companies
(such as Real-Time Analyzers), others
are being developed by the component manufacturers (Ocean Optics) or
larger, general-purpose manufacturers.
We also saw a variety of other offerings from component suppliers. Avantes
is manufacturing a compact stabilized
halogen light source for visible to nearinfrared applications; Bayspec supplies
lasers of several different wavelengths;
Cobolt has lasers of various wavelengths
that offer direct intensity modulation
capability; JMScience lamps are manufactured using a new manufacturing
process that results in lower prices and
extended lifetimes; Newport supplies a
modular NIR, mid-IR, terahertz spectrometer engine; RPMC Lasers is promoting deep-UV lasers; and VUV Analytics has a vacuum ultraviolet (VUV)
ES604643_Spec0515_028.pgs 04.24.2015 03:23
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ICP INDUSTRY NEWS

TECHNICAL SUPPORT
Free Technical Newsletter

Sign up for your free subscription at www.geicp.com
ICP-OES/ICP-MS Sample Introduction Systems

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ES604449_SPEC0515_029_FP.pgs 04.24.2015 02:21
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May 2015
Table II: Accessories

Company
Name
CEM
Corporation
Glass
Expansion
Product
Name
Measurement Mode
Discover SP-D
Gold
Microwave digestion
system
N/A
IsoMist XR
Programmable
temperature spray
chamber
N/A
The IsoMist XR is a temperature-controlled spray

chamber for ICP-OES and ICP-MS with a temperature
range of 25 C to +60 C in a compact package.
N/A
Vacuum to above-ambient conditions (10-5 Torr to 2 atm)

puts 50 cm of sample optical pathlength in a 25-cm probe
body. High optical effciency (>50%, 9001650 nm); a
rugged design; external fber optic connections allows the
entire probe to be immersed in the process.
N/A
Compact fber-optic probe with an OD of only 0.5 in. It

is installed in a reactor or pipe through a single access
port with 0.5-in. Swagelock fttings. It houses incoming
and outgoing optical-fbers side-by-side in a single 0.5-in.
diameter stainless steel body. The transfectance design
allows for twice the pathlength in the same space as a
standard probe.
T-SST
Guided Wave
Turbidity
Probe
Transpiration
Control
Technology
Vapor probe
Transfectance
single-sided transmission
process probe
Turbidity probe
Stabilized certifed
reference standards
Transmission, 90
backscatter
Milestone,
Inc.
Ocean Optics
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Turbidity process probe permits both transmission and

90 backscatter measurements simultaneously to allow
monitoring of chemical composition or properties and
solids, respectively. It can be made with fanges or used
with a companion extraction device. Features high
capacity throughput, collimated beam. Typical peak
transmission exceeds 25%.
N/A
Transpiration Control Technology (TCT) means that

Inorganic Ventures certifed reference materials (CRMs)
will not expire until one year from the opening of the TCT
bag, or upon lot expiration. CRMs stored using TCT have
a shelf life that is limited only by chemical stability. TCT
protects CRMs from unknown conditions during transit,
giving laboratories more control over expiration dates.
The new ATR accessory is designed for analysis of liquids,
solids, and powders. The accessory features a pressure
clamp with a slip-clutch system for reproducible pressure
of 10,000 psi. Interchangeable crystal plates are also
available for Ge and ZnSe ATR crystals. The ATR Pro One is
available for all Jasco FT-IR spectrometers.
ATR Pro One
Monolithic diamond
ATR accessory
ATR
IRT5000/7000
Series
FT-IR microscopes
Transmission
JASCOs IRT-5000/7000 Series microscope systems can be

easily interfaced with the companys FT/IR-4000 or FT/
IR-6000 series spectrometers.
Spinsolve
Reaction
Monitoring
Kit
Automatic sample
handler
N/A
The Spinsolve Reaction Monitoring kit accessory provides

hardware and software for fow or continuous fow
reaction monitoring working in conjunction with any of
the Magritek Spinsolve Benchtop spectrometers.
N/A
Manufactured entirely from 18/8 stainless steel. This

feature, plus other new features, reinforce safety. Includes
both high-pressure and high-throughput (44 position)
rotors, and 300+ preset methods. Features the Milestone
Connect web app to remotely monitor samples and access
their resource library.
Jasco
Magritek
Applications and Unique Features

The Discover SP-D Gold is a microwave digestion system
operating at up to 700 psi and 300 C. The Discover SP-D
Gold is a single-vessel, compact, benchtop digestion
system that sequentially prepares samples for immediate
analysis. A 24-place autosampler allows new samples to
be added at any time, and the unit can run unattended,
even overnight. Discover SP-D Gold uses 80-mL quartz
vessels with snap-on caps allowing fast and easy sample
preparation. Custom programs can be created easily
and quickly. The 21 CFR Part 11compliant software
documents run data for each sample.
G-SST
Inorganic
Ventures
Product Type
Ethos UP
Microwave digestion
system
SERS
Substrates
SERS substrates
High sensitivity, great stability, reliable reproducibility,

customized form factors, and easy to use.
Spirit
Sampler
Beverage brand
recognition and
authentication system
Fast sample analysis (>15 s), simple data presentation,

easy loading of samples, separate channels for clear,
light, and dark spirits, simple, on-screen prompts to
guide users through a measurement.
N/A
ES604639_Spec0515_030.pgs 04.24.2015 03:23
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The Zetium platform embodies SumXcore
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This unique combination of possibilities
puts it in a class of its own with respect to
analytical power, speed and task exibility
in multiple environments.
Contact your local PANalytical sales representative for more information.
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ES604227_SPEC0515_031_FP.pgs 04.24.2015 01:31
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May 2015
Table II: Accessories (continued)

Company
Name
PerkinElmer,
Inc.
Photonis
Quantum
Northwest
Product
Name
Spotlight
150i and
Spotlight
200i
Ion Beam
Imaging
Profler
Product Type
Microscope
Diagnostic tool for

instrument design
qCHANGER 6
Automatic sample
handler/sample cell
holder/controller
QLab Pro
Sample preparation
apparatus
QPrep
Sample preparation
apparatus
Measurement Mode
N/A
PerkinElmers Spotlight microscope systems are designed

to incorporate higher sensitivity and simpler analysis and
workfows. More intelligent automation, state-of-the-art
technologies, easy-to-use software, and simple tools for
setup, method development, and data analysis.
N/A
The Ion Beam Profler can visualize the location of any

charged particle (ion, electron, UV, photon, or soft
X-ray) within an analytical instrument during the design
stage, enabling instrument designers to ensure all
available signal ions are collected. The unit can capture
images from the phosphor screen at up to 100 frames
per second and store them on a PC for collaboration
and comparison testing. A strobe trigger is available to
synchronize the camera to a specifc event.
N/A
A six-position, linear cuvette changer that can

provide a wide range of stable temperatures,
including sub-ambient. Programmable through
a USB connection, using simple text commands,
to control sample changing, setting and reading
temperatures, setting magnetic stirring rate, and
temperature ramping.
N/A
Temperature and pressure monitoring for each vessel.

User-friendly touch-screen control panel, method
creation and storage. Graphical display for digestion
parameters for each vessel.
N/A
Designed for automated high-throughput sample

dilutions and transfers. Customizable all-plastic
construction eliminates metal contaminants. Accepts
sample racks of varying sizes. New dual syringes allow
continuous fow delivery. Rigid PTFE-coated graphite
probe for accessing smaller test tubes with precision.
Capable of handling HF solutions.
N/A
Effciently scrubs and remove toxic fumes from

laboratories. Unique tube-within-a-tube design and
all-plastic construction allows removal of 95% solvent
soluble fumes.
N/A
Automated digestion up to 400 C. Sample dilutions

and transfers. All-plastic construction with US EPA flter
for ultratrace metal analysis. Now CE certifed; available
in Europe. New syringe-based system provides better
accuracy in delivery of reagents. New PTFE-built syringe
allows handling of HF solutions.
N/A
PFA concentric nebulizers with removable uptake

line for ICP-OES and ICP-MS applications. C400d and
C400e for ICP-MS and C700d for ICP-OES. Combines
the reliability of glass with the chemical resistance
and low background of PFA. Unique capillary design
allows aspiration of 25% TDS (C700d) and 10% TDS
with C400d and C400e. Two-piece molded design for
manufacturing precision and excellent reproducibility.
Designed to be pumped.
N/A
PFA cyclonic spray chamber for ICP-OES and ICP-MS.

Molded in the ideal cyclonic shape, giving excellent
stability and sensitivity. Smooth surface fnish gives
improved draining plus internal visibility. Available with
a sensitivity-enhancing surface. Accepts any 6-mm o.d.
nebulizer.
N/A
A fully programmable benchtop hydraulic press. It

offers up to six slots for programs with up to 10 steps
in each. It is available in 8-, 15-, 25-, and 40-ton load
options. This new version of the Autotouch Press offers
touch screen operation with an intuitive display. This
version also offers USB connectivity allowing the press
to be operated remotely.
Questron
Fume
Scrubbing
System
Vulcan
C-Flow
Fume scrubber
Sample preparation
apparatus
PFA nebulizer
Savillex
PFA Cyclonic
Spray
Chamber
Specac Inc.
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Atlas
Autotouch
Spray chamber
Hydraulic press
ES604653_Spec0515_032.pgs 04.24.2015 03:24
ADV
2015 HARRICK SCIENTIFIC PRODUCTS, INC. ALL RIGHTS RESERVED. ILLUSTRATION: ISTOCK.COM/MAIRGIOLD88
Scientific Products
the
NEXT
GENERATION
ConcentratIR2
A high-precision multiple reflection ATR accessory measuring

only 18.5 cubic inches. Designed for microliter sampling.
Compact enough to fit any spectrometer.
Choice of diamond or silicon ATR crystals.
Flow and heated options available.
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ES604448_SPEC0515_033_FP.pgs 04.24.2015 02:21
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May 2015
Table II: Accessories (continued)

Company
Name
Spectral
Systems LLC
Spex
Certiprep
Starna Cells
StellarNet
Product
Name
ArmIR
Product Type
Super-sealed fow cell
Measurement Mode
Transmission
The ArmIR fow cells are designed for continuous fow

IR transmission sampling applications. Features include a
large port diameter, optimized laminar fow, a proprietary
PTFE seal that provides leak-free operation, exceptional
durability, maximum sample compatibility, standard 2.0
3.0 in. cell mount and Luer-lock fll ports.
30 mL Plasma Shots for ICP and ICP-MS grade single
element standards. Customers can now purchase a much
smaller 30-mL version of the same products, providing
the same quality in a smaller quantity. Same-day
shipping is available. With no hazardous shipping costs
in most countries, these standards offer accreditation by
A2LA under ISO 17025 and ISO Guide 34.
30 mL ICP
and ICPMS Single
Element
Standards
Standards
ICP and
ICP-MS
Starna FTIR
Polystyrene
Wavelength
Reference
Material
Standards
Mid-IR
reference
material
Starna USP
<857> UV
Qualifcation
Kit Standards
Standards
UV reference standards
Same as Starna FT-IR wavelength standards above.
StellarScope
Fluorescence
Fluorescence
spectrometer-tomicroscope
Fluorescence microscopy
Connects StellarNet spectrometer systems to a

microscope, enabling fuorescence measurements on
a micro spot to capture high-resolution images, video,
and time-lapse video. This adapter is designed for the
microscope and gives users the ability to visually inspect
samples, or spectrally analyze samples with highsensitivity spectrometers.
StellarScope
Raman
Raman spectrometer-tomicroscope
Refection
Effectively the same as the fuorescence adapter, but for

Raman spectrometers.
ASX-560
Automatic sample
handler/preparation unit
N/A
The ASX-560 autosampler has improved accessory

interfaces, enhanced pumping capabilities, easier
serviceability ,and a sleek new design while retaining the
features of the ASX-520 that have proven their worth in
tens of thousands of laboratories and countless hours of
operation.
N/A
This workstation allows for sample volumes as low as

5 L. A syringe-driven rinse feature provides stable
low-fow applications. The fow injection system allows
for better washout and sensitivity by eliminating
pump tubing and minimizing sample contact. The
workstation uses nonmetallic materials for all wetted
parts to ensure low detection limits.
ATR
Monolithic diamond, analyzes hard solid samples as

well as liquids and powders. Optional zinc selenide
or germanium crystals provide fexibility in price and
applications. Spectral range not limited. Proprietary
crystal mounting system, automatic recognition, and
parameter setup.
ATR
Monolithic diamond for ATR sample analysis at

an affordable price. Improved optical design,
interchangeable crystals include diamond, zinc selenide
(ZnSe), and germanium (Ge), epoxy-free design.
TGA
The Thermo Scientifc TGA-IR module enhances

materials characterization for users of Thermo Scientifc
FT-IR spectrometers. The TGA-IR module features a
rugged gas cell optimized for the fow characteristics of
a TGA and a precise system of temperature control.
N/A
2000 rpm maximum speed setting with external grinding

jar, temperature measuring, and water cooling. High
energy ball milling for grinding material down to
submicrometer and nanoparticles.
Teledyne
CETAC
MVX-7100 L
Thermo
Fisher
Scientifc
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Workstation
Thermo
Scientifc iD7
Accessory
FT-IR spectrometer
ATR accessory
Thermo
Scientifc
Smart iTX
Accessory
FT-IR spectrometer
ATR accessory
Thermo
Scientifc
TGA-IR
Module
Verder
Scientifc, Inc.
Manufactured and certifed value assignment produced

under a combination of ISO Guide 34 and ISO/IEC 17025
accreditations.
EMAX
Thermogravimetric
analysis (TGA)
High energy ball mill
ES604658_Spec0515_034.pgs 04.24.2015 03:24
ADV
absorption spectroscopy detector.

See Table IV and the on-line information for more details about these products.
Mass Spectrometry
Seven manufacturers presented new MS
May 2015
products this year at Pittcon. (Although

this article includes products launched
over the past year, we have not attempted
to cover products introduced at ASMS,
which has become the primary venue
for launching MS instruments.) The
instrument offered by 1st Detect can

be preprogrammed to monitor specific
chemicals and their abundances in real
time. Bayspecs instrument has the ability for one person to carry its portable
unit and execute in situ. Excellims Cor-
Table III: Atomic spectroscopy products

Company Name
B&W Tek, Inc.
Product Name
Product Type
Measurement
Mode
NanoLIBS
LIBS analyzer
LIBS
Handheld LIBS analyzer for both industrial

and laboratory LIBS applications is a lightweight, handheld, and battery-operated
unit.
i-Libs
LIBS analyzer
LIBS
Same as above
FluoroMax Plus
Spectrofuorometer
N/A
Dual-grating turret for optimized broad

spectral range measurements, ultrashort fuorescence lifetime measurement.
Ultima
Fluorescence
lifetime system
Fluorescence,
TCSPC (timecorrelated single
photon counting)
Flame
Spectrometer
UVvis fame
spectrometer
N/A
High thermal stability, interchangeable slits,

indicator LEDs, simple device connectors,
sophisticated manufacturing process with low
unit to unit variation.
Spark-VIS MicroSpectrometer
UVvis sparkmicrospectrometer
N/A
Highly compact and good for integration

into handheld and portable devices or onto
process lines.
PinAAcle 500
Flame atomic absorption spectrometer
AAS
Complete corrosion resistance, easy to use

and maintain, touchscreen user interface
and Syngistix Touch software, quick-change
modular sample introduction system, and
exceptional sensitivity and precision.
Z-100
LIBS
Laser ablation
Horiba Scientifc
Ocean Optics
PerkinElmer, Inc.
SciAps, Inc.
ICPE-9800 Series
SPECTRO Analytical
Instruments
StellarNet
SPECTRO ARCOS
PortaLIBS
Worlds shortest TCSPC lifetime electronics.
Worlds smallest handheld LIBS unit.
Combined ICP and

atomic emission
Feature a vertically oriented plasma torch

with dual view (axial/radial) capabilities. Eco Mode and a mini-torch system
minimize argon gas use. 21 CFR compliant
software. Assistant functions, include a
method development assistant, automatic
wavelength selection, and a diagnosis assistant.
Fluorescence
spectrofuorophotometer
Fluorescence
S/N of 1000:1 (RMS) or 350:1 (p-p), scanning

speeds at up to 60,000 nm/min, wavelength
range up to 900 nm. 3D fuorescence spectra fuorescence spectra can be measured at
all wavelength regions in 1 s. It includes a
long-life xenon lamp, auto-alignment technology, and easy lamp replacement.
N/A
Multiview capability, unmatched accuracy, stability, fast, convenient selection

of true axial or radial plasma observation.
No optical compromise. CCD optic system,
wavelength range 130340 nm. Unique
solid-state generator allows quickly changing plasma loads. UV-PLUS sealed optical
chamber eliminates gas purging, air-cooled
interface technology.
LIBS
Preconfgured laser-induced breakdown

spectrometer gives the system the ability
to open and measure in a laboratory, or
ideally, bring the instrument out into the
feld and quickly analyze samples. Features
an 8-h battery life.
Shimadzu Scientifc
Instruments
RF-6000
High-resolution
ICP-OES
spectrometer
LIBS
N/A = not applicable
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Table IV: Components

Company Name
Product Name
Product Type
Measurement
Mode
Shamrock 193i
Motorized and
modular
Czerny-Turner
spectrograph
Transmission,
absorption,
refection, and
scattering
193-mm focal length, adaptive focus, dual-grating turret with RFID technology, astigmatism-corrected optical
design, dual detector outputs, USB interface, silverprotected coated optics option.
iXon Ultra 888

Andor Technology
Zyla HF
Attodyne Lasers
Motorized
spectrograph
Largest feld of view EMCCD, combined with highest

frame and spectral rates, available 26 full frames per
Absorption
second ideal for multitrack spectral acquisition or
and scattering
micro-spectroscopy. Up to 11,990 spectra per second
ideal for fast transient phenomena analysis.
Motorized
spectrograph
Transmission,
absorption,
refection,
scattering and
diffraction
100 fps full frame sustained, high-resolution fber-optic

plate coupling, 5.5-megapixel sensor format with high
resolution and 6.5-m pixels, 1.2 e read noise, compact
and light, rolling and global shutter, modular input interface choice of high-resolution or high-throughput
scintillators and beryllium flters.
N/A
<10 ps pulses, up to 4 W with over 150 J of pulse energy, long term power stability <1% noise, high beam
quality with M2 <1.3, trigger 01 Mhz, serial interface,
compact optical head, fully detachable control unit, up
to 10-m umbilical, air cooling, >20,000-h lifetime, available in 1064-, 532-, and 355-nm versions.
N/A
Compact stabilized halogen light source for visible to

NIR applications. Features adjustable focusing of the
fber connection. It also has adjustable output power to
provide extra power or longer bulb life.
APL Series
Picosecond lasers
AvaLight-HALS-Mini
Halogen light
source
FX (Fixated)
Form-holding
fber-optic
jacketing
N/A
Nonelastic; maintains its bent form; manufactured with

a cotton yarn, which makes the tube waterproof; excellent absorption of vibrations; can be plated, painted, or
covered with PVC sheathing.
RamSpec OEM
355-, 405-, 488-,

532-, 632-, 785-,
and 1064-nm lasers
available
Raman
scattering
Flexible and customizable to different specifcations;

automatic plate reader; small microscope retroft
available.
Cobolt MLD
633-nm laser
633 nm, up
to 80 mw,
TEM00
All Cobolt MLD lasers feature direct intensity modulation capability and can be modulated up to 150 MHz
with up to 10,000,000:1 extinction ratio. Manufactured
to ensure reliability and robustness. The 06-01 Series
offers a standardized compact form factor and a wide
wavelength span in a plug-and-play format.
Cobolt MLD
647-nm laser
647 nm, up
to 120 mw,
TEM00
Same as above
Cobolt
Flamenco
660-nm laser
660 nm,
TEM00
Same as above
Cobolt Jive
561-nm laser
561 nm,
TEM00
Same as above
Cobolt Samba
532-nm laser
532 nm,
TEM00
Same as above
Lamps
Lamps
Atomic, UV
vis spectroscopy
These lamps are manufactured using a new manufacturing process that results in lower prices and extended
lifetimes. The lamps are available for several instrument
manufacturers.
Standoff
detection
Enables deep UV Raman spectroscopy and to excite

samples with shorter wavelengths of light. UV excitation at 193, 213, or 244 nm increases sensitivity, suppresses fuorescence, and provides resonance coupling.
These each improve the signal-to-noise ratio in the
measurement for faster detection of trace materials.
Avantes
BaySpec
Cobolt
JMScience
McPherson
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Tunable UV
Raman flter
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Table IV: Components (continued)

Company Name
Product Name
MIR8035
Product Type
Modular NIR,
mid-IR, terahertz
spectrometer
Newport
Light source
power supply
OPS series
Tunable Light
Source (TLS)
"LUV" series:
Light intensity
controller
266280 nm
CW laser sources
Measurement
Mode
Flexible
A modular design that provides spectral coverage from

14,000 to 350 cm-1 and resolution up to 0.5 cm-1. A
variety of easily interchangeable sources and detectors
connect to the scanner. An optional accessory compartment holds other components, such as an ATR, gas cell,
and more. The MIR8035 includes a laptop computer
with MIRMat software for instrument control, data
acquisition, and data processing.
N/A
These power supplies are designed to meet the precise

requirements for proper operation of QTH or arc
lamps. They can operate in constant power, constant
current, and intensity modes when used with the appropriate lamp, lamp housing, and if necessary, socket
adapter. Light intensity, shutter control, and timer
features integrated with power supply.
N/A
TLS Series wavelength-tunable sources deliver up to 0.7nm resolution of monochromatic light from 250 nm to
2400 nm. These are designed for researchers who need
the fexibility of a modular design with the simplicity
of an integrated system. Requires no setup. Simple and
compact design ensures an economical price.
N/A
Compact deep UV source, monolithic cavities technology, inherently stable and robust to vibrations. 10 mW
of continuous wave optical power for the 280-nm LUV,
up to 20 mW of CW power, single mode collimated
beam, power adjustment 0% to 100%, USB computer
interface, multimode fber coupling option; beam
diameters available: 0.3, 0. 6, or 0.8 mm.
N/A
An actively q-switched, compact, air cooled DPSS laser

for up to 80 mJ of pulse energy in the IR (1064 nm) and
pulse widths of 10 ns. Provides operation up to 20 Hz.
The laser is available with 532-, 355-, and 266-nm options. Battery powered option. The laser has a sealed,
dust-proof, rugged design.
N/A
Highly integrated lensed detector. The enhanced D*

detector includes an integrated LWIR HgCdTe detector/
lens, a TE cooler for operation at 85 C, a broadband AR
coated Ge window in TO 3 hermetically sealed package.
D* Performance: 24 for Lambertian Beam Source and
10 for Focused Beam Source. Other IR detector options
available are Ge, InGaAs, X-InGaAs, InAs, PbS, PbSe, SLS.
N/A
The DLP2010NIR DMD is a fully programmable MEMS

DLP chip that empowers ultramobile embedded NIR
analysis. The 2D micromirror array combined with a single point detector provides lower cost and greater signal
capture than linear array systems. A wide NIR-window
transmittance of 7002500 nm enables accurate spectral
analysis and the measurement of a variety of materials.
N/A
A wavelength range of 9001700 nm in a pocket-sized

form factor (90 cm3). Bluetooth and Bluetooth low
energy functionality of the embedded TI dual-mode
Bluetooth CC2564 wireless network processor module
provide app developers the ability to create apps to
wirelessly connect to the EVM platform. Has low-power
consumption with option for battery charging.
RPMC Lasers
Lapa-80
Teledyne/Judson
DPSS laser
Enhanced
Detector
DLP2010NIR
Integrated LWIR
HgCdTe + lens
Digital micromirror device (DMD)
Texas Instruments
DLP NIRscan
Nano evaluation
module (EVM)
VUV Analytics
VGA-100
Out-of-box
development tool
for prototyping
A vacuum ultraviolet absorption spectroscopy detector

of both qualitative and quantitative data. The
Gas chromatogra- UV absorption capable
instrument is a universal mass sensitive detector that
phy detector
provides unique spectral fngerprints for most gas
phase molecules, including isomers.
porations system offers high-resolution

ion mobility for size and structure
separation before MS analysis. Hiden
Analytical has the Compact SIMS tool,
which is designed for characterization of
layer structures, surface contamination,
and impurities. IONICON Analytik has
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an extremely sensitive quadrupole ion

guide (Qi). Shimadzus instrument can
combine on-line SFE, SFC, and MS in a
single flow path. Waters combines stepwave ion optics and its XS collision cell
for high sensitivity and mass resolution
at LC-compatible speeds.
See Table V and the on-line information for more details about these
products.
Mid-Infrared
While most IR vendors, such as Bruker,
Jasco, Thermo Fisher, and PerkinElmer,
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Table V: Mass spectrometry products

Company Name
Product Name
1st Detect
iONTRAC
BaySpec
Process monitor
mass spectrometer
Chemicals to be monitored or potential threats and contaminants can be preprogrammed and the abundances
reported in real time. Unlike other process analyzers, the
MS or GCMS ion trap mass analyzer allows the iONTRAC to always
measure an entire stream or environment so that data are
always available to excursion events and to determine the
presence of unanticipated contaminants.
MS with electron ionization (EI) ion
source and
FAPA (plasma)
ionization
probe.
BaySpecs newest portable instrument for feld bulk or

trace detection applications. One person can carry it and
execute in situ and direct analysis techniques. With appropriate probes it can sample solid, liquid, and gas-phase
samples from the atmosphere. It also has an onboard EI
source for low-pressure or passive gas-vapor monitoring.
Mass
spectrometer
MA3100
Ion mobility
spectrometer
(HPIMS) add-on
for Thermo
Scientifc mass
spectrometers
Ion mobility
drift time
(fight time)
High-resolution ion mobility size or structure separation

prior to MS analysis. It mounts and dismounts without
breaking vacuum, has fully integrated HPIMS software
control for Orbitrap models. Several atmospheric pressure
ionization and sample introduction methods (electrospray,
thermal desorption, corona discharge) available. Directspray ESI source ionizes directly from the sample syringe.
GA2100
Mobile highperformance
ion mobility
spectrometer
Ion mobility
drift time
(fight time)
New mobile-mount platform brings ion mobility out of

the laboratory and into the feld. Direct spray electrospray
ionizes directly from a sample syringe, an array of other
quickly interchangeable atmospheric pressure ionization
sources are available.
Compact SIMS
Workstation
Mass
spectrometer
N/A
The Compact SIMS tool is designed for characterization

of layer structures, surface contamination, and impurities.
Sensitive detection of positive ions is assisted by an oxygen
primary ion beam and provides isotopic sensitivity across
the entire periodic table. The ion gun geometry is optimized for nanometer depth resolution and near surface
analysis.
PTR-QiTOF
Mass
spectrometer
Direct injection chemical

ionization
mass
spectrometry
Quadrupole ion guide (Qi). The PTR-QiTOF achieves a mass

resolution of more than 6000 (up to 10,000 m/m FWHM),
and a limit of detection well below 1 pptv (in 30 s).
PTR-TOF 1000
TOF mass
spectrometer
Direct injection chemical

ionization
mass
spectrometry
Claimed to be the smallest, lightest, and most affordable

time-of-fight based PTR-MS ever developed. The entire
mass range is measured in split-seconds, faster, and more
sensitive for complex mixtures, new integrated IONICON
data acquisition and treatment tools.
SFESFCMS
Combines on-line SFE, SFC, and MS in a single fow path.

Automatic extraction of up to 48 samples followed by
transfer to SFCMS for high-sensitivity MS detection,
eliminates complicated sample preparation. Has high
analyte recovery rate, reduces the possibility of human
error during analysis, signifcantly reduces the quantity of
organic solvents used. This product won the Gold Editor's
Award at Pittcon.
IONICON
Analytik
Shimadzu
Scientifc
Instruments
Measurement
Mode
Portabiltiy
Excellims
Corporation
Hiden Analytical
Product Type
Nexera UC
Unifed
chromatography
SFESFCMS
system
Waters Xevo
G2-XS QTof
TOF mass
spectrometer
N/A
Combining Stepwave ion optics and the XS collision cell

provides high sensitivity and mass resolution at LCcompatible speeds. The Xevo G2-XS QTof works seamlessly with separations and industry relevant informatics
solutions, providing a single workfow for qualitative and
quantitative work. The newly designed XS collision cell is
a segmented quadrupole that focuses the ion beam better than ever before, improving both sensitivity and mass
resolution.
Xevo TQ-S
micro
Quad MS
N/A
The Xevo TQ-S micro minimizes laboratory footprint while

maximizing quantitative performance. Maximize sample
coverage through seamless integration with Acquity UPLC,
UPC2, Waterss universal ionization sources, and APGC.
Waters Full
Spectrum
Molecular
Imaging System
Imaging mass
spectrometer
N/A
This is the frst system ever to combine MALDI, DESI, and

IMS in a single mass spectrometer, enabling research
laboratories to pinpoint the distribution of molecules with
greater specifcity. This product won the Silver Editor's
Award at Pittcon.
Waters
Corporation
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Table VI: Mid-IR products

Company Name
Product Name
LaserSense
Product Type
Measurement
Mode
QCL mid-IR
spectrometer
Quantum cascade laserbased gas detection system;

OEM option for integrators or complete system for
hydrocarbons. 5.312.8 m (1880780 cm -1) range.
Features confgurable dynamic range and LOD options.
reference design, fast measurement speed (10
Gas detection Internal
Hz), fexible Interface and SDK for remote access of data.
Includes: OEM mini-QCL, pump valve, pressure sensor,
wireless module and antenna, power input, switch, and
power converter, gas input and output fame arrester,
internal fltration, and gas cell heater.
Block
Engineering
LaserWarn
Open-path
chemical
detection
system
Open-path
IR absorption
spectroscopy
An open-path chemical detection system. Fixed site or

on-the-fy confguration. Increased sensitivity, aiming accuracy, and distance compared to conventional
infrared systems. Detects chemical threats, leaks, and
fugitive emissions (TICs, CWAs) over a wide coverage area. Indoor and outdoor applications. Features
eye-safe laser beams, no consumables, and sub-second
detection times.
LUMOS
FT-IR
microscope
Transmission,
refection,
and ATR
Motorized ATR crystal; large working distance; high

level of automation; stand-alone FT-IR microscope with
compact footprint.
Mid-IR/far-IR
spectrometer
Transmission,
refection,
and ATR
An FT-IR spectrometer covering the mid and far infraredTHz spectral ranges in one step. Bruker offers a new
wide range MIR-FIR DLaTGS detector as well as a mid-IR/
far-IR beamsplitter. Together, these form the basis of the
unique VERTEX FM FIR-MIR extension for the VERTEX 70
and VERTEX 70v vacuum systems, which cover 6000 cm -1
down to 50 cm -1 in one step without any beamsplitter or
detector change.
FT-IR
spectrometers
Transmission,
ATR, diffuse
refectance,
specular
refectance,
grazing-angle
refectance,
refection
absorption,
photoacoustic
New FTIR-4000/6000 Series spectrometers offering the

best S/N ratio, unparalleled sensitivity, and vibrationfree scanning. All instruments feature a highly stable,
corner-cube interferometer and AccuTrac DSP technology enabling rapid and accurate tracking of mirror position and velocity.
GCIR:
transmission
in gas cell
Combines separation power of GC with the spectral

resolving power of FT-IR and detection limits that
rival single-quadrupole MS. No customer calibration is
required since the FT-IR calibrations are permanent and
transferable from one instrument to another. MAX does
not require helium as a carrier gas or the use of turbomolecular pumps and it has a dynamic range spanning
10 orders of magnitude.
Bruker Optik
GmbH
VERTEX FM
Jasco
FTIR-4000/6000
Series
Prism Analytical
Technologies
MAX
Mid-IR
spectrometer
displayed well developed and mature

tools at Pittcon this year, some cuttingedge devices were shown as well. Block
Engineering showed a quantum-cascade-laserbased gas detection system,
both for use as an original equipment
manufacturer (OEM) module, and as a
complete instrument for an open-path
chemical detection system. Bruker
showed a stand-alone FT-IR microscope with a motorized ATR crystal.
Prism Analytical Technologies has a
combined gas chromatography (GC)
FT-IR unit.
See Table VI and the on-line information for more details about these
products.
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Application specificity in NIR historically
has been achieved via the calibration model,
in contrast with most other technologies
that use custom or dedicated hardware.
NIR vendors are now also coming to the
use of dedicated hardware as well as software and calibrations. For example, ABB is
providing a precalibrated unit for crystallinity in polyethylene terephthalate (PET)
bottles. Art Photonics has an instrument
designed to measure and control moisture
in media. Bruker has a unit for precise measuring of weight, thickness, diameter, and
hardness of tablets that is fully compliant
with current United States Pharmacopeia
(USP) and European Pharmacopoeia (EP)
requirements. Real-Time Analyzers is

showing a benchtop fuel analyzer based on
NIR (as opposed to a previous version based
on Raman spectroscopy) that provides the
ability to rapidly determine fuel quality of
multiple fuel types.
Other vendors, meanwhile, are offering
new instruments with broader applicability. B&W Tek has a complete reflection
spectrophotometer system for mobile applications. Guided Wave has a dual-beam,
full-spectrum, post-dispersive NIR process
analyzer-spectrometer platform. JDSU has
an ultracompact wireless NIR spectrometer
for on-line process monitoring applications.
PANalytical (previously ASD) has a truly
portable full-range, handheld, contact spec-
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Table VII: NIR products

Company Name
ABB
Art Photonics
Avantes
Product Name
Product Type
Measurement
Mode
MB3600-CH80
PET packaging
analyzer
Transmission
MoiSens
NIR spectral
fber moisture
sensor
AvaSpecNIR-HSC
NIR
spectrometer
Tandem IIIA
FT-NIR
spectrometer
TANGO
FT-NIR
spectrometer
i-Spec Plus
NIR
spectrometer
Bruker
Optik GmbH
B&W Tek, Inc.
Guided Wave
NIR-O
MicroNIR
PAT
JDSU
PANalytical
(ASD Inc., a
PANalytical
company)
Real-Time
Analyzers, Inc.
Si-Ware Systems
StellarNet
NIR
spectrometer
NIR
spectrometer

Precalibrated for percent crystallinity in PET bottles with
results in ~15 s, chemometrics package included.
This instrument is designed to measure and control moisture in media. Implemented with rapid scan of specifc
Transmission LED wavelengths to illuminate media and collect signal
and refection from either diffuse refection or transmission mode. Mode
selection is determined by media type using Trans-Flex or
diffuse refection fber probe for selected media.
Refection
Transmission
This is the successor of the AvaSpec-NIR256-2.5, based on

a new optical bench design (f = 100 mm; NA 0.13). High
sensitivity in the 20002500 nm region. Compact design
for easier integrate into an OEM application. Replaceable
slit makes the instrument suitable for different kinds of
applications.
Precise measuring of weight, thickness, diameter, and
hardness, reliable orientation of a tablet shapes, fully
compliant with current USP and EP requirements, userfriendly PC software, modular design allows customization
to individual needs, professional QC and automatic IPC.
Automatic background measurements ensure precise

Transmission prediction results. The TANGO now is equipped with a
and refection powerful data system with capacitive touch screen display.
The user interface supports 17 languages.
Transmission
or refection
A complete refection spectrophotometer system; includes

an integrating sphere and tablet PC for mobile applications. On-board software and battery pack option allows
users to take laboratory NIR analysis with them anywhere
Refection
A dual-beam, full-spectrum, post-dispersive NIR process

analyzer or spectrometer platform designed for reliable
performance in process environments. Different enclosure confgurations permit user-specifed analyzer placement. Up to 12 independent sample points (insertion
probes or fow cells) are connected via high-effciency
fber-optic cables.
N/A
Ultracompact wireless NIR spectrometer for on-line process

monitoring applications. Features integrated lithium ion
battery, user-selectable WiFi, Bluetooth, or ethernet for
data communication, IP65 housing, internal and external
triggering for data acquisition, sanitary tri-clover fange
for mounting. Wavelength regions: 9501650 nm or
11502150 nm.
Portable
spectrometer
A truly portable full-range, handheld, compact spectrometer. Features integrated internal light source, on-board
GPS, voice audio recorder, internal white reference,
lightweight rechargeable batteries, automated internal
wavelength validation, integrated computer and LCD with
push-button navigation, and a PC-based project and data
management software ecosystem.
QualitySpec
Trek
NIR
spectrometer
Benchtop
Fuel Quality
Analyzer
NIR fuel
analyzer
Transmission
This new version is based on dispersive NIR. This benchtop

fuel analyzer provides the ability to rapidly determine
fuel quality and also chemical and physical properties of
multiple fuel types: diesel, gasoline, kerosene, jet fuel, and
biodiesel. The analysis is performed in less than 10 s.
Portable
Fuel Quality
Analyzer
NIR fuel
analyzer
Transmission
Features ability to rapidly determine fuel quality and also

chemical and physical properties of multiple fuel types:
diesel, gasoline, kerosene, jet fuel, and biodiesel. The
analysis is performed in less than 10 s.
NeoSpectra
(Generation:
SWS62221)
NIR
spectrometer
Transmission
or diffuse
refectance
probes can be
attached
StellarCase NIR
NIR
spectrometer
Refection
Compact core sensing module, low cost embedded solution, designed for high volume production, semiconductor
manufacturing, wide spectral ranges, fast data processing,
alignment-free optics, operation in harsh environment,
and selectable resolutions and scan time.
A rugged and fully integrated portable case system for
material identifcation and composition analysis. Interior
spectrometer instrumentation preconfgured for open
and measure application. With a press of the Analyze
button match results or sample percent composition can
be displayed on the screen instantaneously.
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Table VIII: NMR products

Company Name
Product Name
Product Type
Measurement
Mode
Aspect Imaging
AI-60
High-resolution
NMR system
NMR
Cryogen-free compact, mobile, permanent magnet

high-resolution NMR spectroscopy. High sensitivity,
interchangeable probes of varying sizes all with sample
temperature control.
SpinPulse CX-20
Time-domain
NMR
NMR
Modular, compact, rugged time-domain NMR system.

Good magnet stability and performance over wide
temperature range. Open Access software with
intuitive user interface.
Cosa Xentaur
Corporation
Thermo Fisher
Scientifc
PicoSpin
Reactionmonitoring
accessory for
benchtop NMR
trometer. StellarNet has a system for material identification and composition analysis,
which can also be preconfigured for open
and measure application.
See Table VII and the on-line information for more details about these products.
NMR
Nuclear magnetic resonance (NMR) spectroscopy has not been prominent at Pittcon
for several years. Indeed, in some years,
general scouting of the exhibit floor did not
reveal any manufacturers of NMR instruments. However, recent advances in magnet
technology have enabled manufacturers to
replace the huge electromagnets of yesteryear with (relatively) small, permanent
magnets with suitable characteristics (uniformity) to allow the NMR measurement
to be (relatively) easily moved from one site
to another, thereby making it portable
(though this does not quite meet the definition of portable as defined above as not
needing a truck).
NMR is going through some major
changes. With the withdrawal of a major
player in the high-field magnet sector (Agilent), most of the development and change
is coming in the small, benchtop, or fixedmagnet arena, almost a diametric shift
back to the roots of NMR. A number of
vendors, such as Thermo Fisher, Magritek,
and Anasazi, provide small NMR units. A
common theme this year is cryogen free,
while competition is developing around
carbon-13 capabilities and reaction monitoring. Unfortunately, only two vendors
responded to our request for detailed information about their units for this review,
so we cannot present examples of all the
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capillary
system
Adds the dimension of time to benchtop NMR. The new

reaction monitoring accessory for Thermo Scientifc
picoSpin high-resolution benchtop spectrometers
enables students to monitor chemical reactions in classroom and laboratory experiments. This reaction monitoring accessory provides more information to students
in real time, enabling organic chemistry instructors to
enhance their curriculums and provide a richer experience in spectroscopy.
features we discuss. Cosa Xentaur Corporation provides cryogen-free compact,

mobile, permanent magnet high resolution NMR spectroscopy. Thermo Fisher
Scientific has a new reaction monitoring
accessory for its picoSpin high-resolution
benchtop spectrometers that adds the dimension of time to benchtop NMR.
See Table VIII and the on-line information for more details about these products.
Raman
Developments in Raman spectroscopy were
prevalent at this years Pittcon. Raman vendors showed an array of new tools covering
different aspects of the applications space.
Several companies provide instruments
that adapt to existing microscopes.
Bayspec has the worlds first dual-band
portable Raman instrument, as well as
a high-resolution dispersive 1064-nm
Raman spectrometer. Bruker uses sequentially shifted excitation to minimize
fluorescence interference. B&W Tek has a
portable Raman spectrometer with a high
quantum efficiency cooled (25 C) CCD
array detector. Edinburgh Instruments
offers its Nanosecond Transient Absorption spectrometer, which features several
alternate measurement modes including
LIBS. Jasco has a Raman instrument for
temperature- or atmosphere-controlled
measurements. Metrohm provides the
only handheld Raman instrument in the
market with a laser class I safety feature.
Ondax uses a 976-nm source for reduced
autofluorescence. Rigaku eliminates fluorescence interference by using 1064-nm
excitation. TechnoSpex Pte. Ltd. integrates
Raman spectroscopy into existing upright
microscope functions. Thermo has the only

handheld combined Raman and mid-IR
analyzer. Tornado Spectral Systems has an
on-line and at-line process Raman analyzer.
Witec provides three-dimensional (3D)
confocal Raman imaging.
See Table IX and the on-line information
for more details about these products.
Software
This years review includes software products from seven companies. ACD Labs
provides a single interface for delivery of
multitechnique analytical results, with automatic capture of raw data. Autoscribe
Informatics, Inc., has a workflow generator and recorder. CAMO, Inc., provides
a software package for modeling and
monitoring of batch processes or systems
with time dependency. CEM has software
that allows wireless real-time monitoring
and instrument control from outside the
laboratory. Fiveash Data Management
(FDM) can provide a Raman library of
more than 200 multicomponent sets of
ATR spectra of drugs (including drugs
of abuse) in one spectral library as well as
more than 845,000 two-component ATR
spectra. Horiba has a spectroscopy suite
for Horiba Raman microscopes that has
several add ons available. Magritek also
has new software for its Spinsolve NMR
spectrometer.
See Table X and the on-line information for more details about these products.
UVVis
UVvisible spectroscopy is one of the most
mature of the common spectroscopic technologies. Nevertheless, 17 manufacturers
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Table IX: Raman products

Company
Name
BaySpec
BioTools
Product Name
Product Type
Measurement
Mode
Dual-band
Agility
Raman
analyzer with
active trigger
probe
Raman
scattering
The worlds frst dual-band portable Raman instrument, enabling users to measure real-world samples. Measurements
can be conducted in a light tight chamber using liquid vial,
solid down, solid side, solid up, rotating, or fber-optic probe.
RamSpec-HR
1064-nm
Raman system
1064-nm
laser Raman
MovingLab
Dual band
portable
Raman
microscope
532-, 785-,
and 1 064-nm
laser Raman
-BioRAMAN
and Mobile-Raman
Raman
spectrometer
Raman
scattering
BRAVO
Raman
spectrometer
Dispersive
Raman
scattering
i-Raman Pro
Raman
spectrometer
Raman
scattering
LP980
Nanosecond
transient
absorption
spectrometer
Transient
absorption,
laser-induced
fuorescence,
LIBS, and
Raman
measurements
Bruker Optik
GmbH
B&W Tek
Edinburgh
Instruments
Jasco
Metrohm
High-resolution dispersive 1064-nm Raman spectroscopy. Fast,

compact, turn-key, with no sample preparation needed. Raman
fber probe option and direct sampling option available.
This Raman microscope comes with two laser excitations
selected from 532, 785, and 1064 nm. Fully automated laser
switching. Can be equipped with both visible and NIR laser excitations. The 1064-nm excitation option avoids fuorescence.
Small footprint, fip up cover, battery, Piezo stage, same spot
optical system, highly sensitive detector, PZT stage for mapping.
Superb signal-to-noise ratio, clear spectra, and rapid scanning
for Raman maps.
Sequentially shifted excitation (SSE) (patented) mitigates fuorescence, duo laser excitation provides largest spectral range,
IntelliTip ensures that the proper measuring tip is always used,
laser class 1 M product for all measurement modes, touch
screen operation.
A portable Raman smart spectrometer that uses a high quantum effciency cooled (25 C) CCD array detector. This Raman
spectrometer delivers an improved signal-to-noise ratio. The
compact mobile design provides users with research-grade
Raman capabilities anywhere.
Raman
scattering,
temperature
Raman
NRS-4100 Series spectrometers
or atmosphere
controlled
measurements
Metrohm
Instant Raman
Analyzer
Mira
Ondax
THz-Raman
Microscope
System
Rigaku
Progeny ResQ
TechnoSpex
Pte. Ltd.
uRaman
Thermo Fisher
Scientifc
Gemini
HyperFlux PRO
WITec GmbH
apyron
A frst of its kind on the market, the LP980 allows for the measurement of transient absorption, laser-induced fuorescence
and phosphorescence, Raman spectroscopy and LIBS all in one
instrument.
New, compact and easy-to-use NRS-4100 series laser Raman

spectrometer. The NRS-4100 has many of the great features
and performance of its larger siblings with a whole host of
new technological innovations to streamline the collection of
Raman spectra.
The Mira Basic package with the vial holder is the only handheld Raman instrument in the market with a laser class I safety
feature. The Mira packages offer three quick-change inserts,
Raman
which can be rapidly exchanged within the base system. FeaRaman
refectance
and scattering tures an integrated vial holder, samples are inserted in small
vials that are then simply inserted into the Mira spectrometer
for measurement.
A 976-nm source for reduced auto-fuorescence, avoiding the
need for InGaAs detectors. Using the TR-MICRO-976 and XLFCLM-976 to deliver clear low-frequency Stokes and anti-Stokes
Confocal
Confocal
spectral analysis over a range of 5500 cm-1 when used with
Raman
Raman
microscope
conventional Si detector-based spectrographs, enabling reliable identifcation of molecular structure characteristics of
fuorescent materials.
1064-nm
excitation measures colored solids and liquids as well
Handheld
substances through containers, eliminating fuorescence
with optimal as
Raman
interference. Offers the industrys most comprehensive library
docking
spectrometer
with over 12,000 compounds including CWAs, explosives, TIC
station
and TIM, and narcotics.
Integrates Raman spectroscopy into existing upright microscope functions: DIC, phase contrast, dark feld. All compact
and affordable. Multiple wavelength, stackable module; giving
Raman
Raman
users the fexibility to connect to the different types of detecspectrometer
scattering
tors via optical fber cable. The spectrometer may range from a
compact to a high-end research-grade spectrometer.
ATR and Ra- The frst and only handheld integrated Raman and FT-IR
Handheld Raman and mid- man scatter- instrument.
ing
IR analyzer
The HyperFlux PRO is anon-line and at-line process Raman
Raman
Transmission analyzer designed for real-time, remote, and unattended
spectrometer
operations.
Automated
Raman
imaging
Refection
Fully automated 3D confocal Raman imaging system includes

laser wavelength selection and adjustment of all associated
spectrometer and microscope components. Includes a new
600-mm focal length spectrometer specifc for automated Raman imaging, which enables measurements at even very low
light intensities and high resolution.
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May 2015
Table X: Software products

Company
Name
Product Name
Product Type
Measurement
Mode
ACD/Labs
Solution for
Open Access
Labs
N/A
N/A
Provides a single interface for delivery of multitechnique

analytical results. Automatic capture of raw data from
LCMS and NMR instruments is followed by processing and
interpretation.
Autoscribe Informatics, Inc.
Matrix Gemini
LIMS Builder
Workfow
generator and
recorder
N/A
Comes with a starter workfow (from sample registration

to approval), all reference tables, audit version control,
training in the use of their Confguration Tools.
CAMO
Software
Unscrambler X
Batch modeling
engine
N/A
Modeling and monitoring of batch processes or system

with time-dependency. The monitoring of new batch data
is invariant of sampling rate and does not assume that the
batch progresses linearly over time.
iLink for
MARS6
Networking for
MARS6 microwave digestion
systems
N/A
iLink allows real-time monitoring and instrument control

from outside the laboratory. It wirelessly connects multiple
MARS6 microwave digestion systems to one mobile device.
iLink increases productivity by maximizing out-of-lab time
with remote method development and report processing.
FDM ATR Drugs

Mixture Library
ATR spectral
Library
N/A
200+ multicomponent sets of ATR spectra of drugs in one

spectral library,each generated from neat compound ATR
spectra. The components are specifcally chosen, such as
cocaine + mannitol, for example This library can characterize binary and ternary mixtures.
FDM ATR Drugs

Mixture Library
ATR spectral
library
N/A
845,000+ two-component ATR spectra of drugs with 10%

increments in concentration. The library was generated from
a neat compound ATR and FT-IR spectral library. This library
can characterize 50/50, 40/60, or 30/70 binary mixtures.
FDM ATR
Polymers
Germanium
FT-IR ATR polymer spectral

library
N/A
Searchable collection of 500 polymer spectra run on a

Germanium ATR crystal. Spectra of rubbers and other high
refractive index samples are greatly improved and more
readily searchable.
FDM Software
Development
Kit
Software development Kit for

FDM FT-IR and
Raman libraries
N/A
The FDM SDK is a tool for instrument companies to implement spectral library search features directly into their FT-IR
and Raman software packages. The SDK provides functions
for searching spectra and chemical names from all of the
FDM FT-IR and Raman spectral libraries. Eight algorithms
are available. Source code examples are provided.
LabSpec 6
Spectroscopy
suite for Horiba
Raman microscopes
N/A
LabSpec 6.3 is an upgrade to Horiba Raman systems. Optional add-on modules: ParticleFinder, multivariate analysis,
3D volume and surface rendering, database searching, and
multiwell.
SWIFT V.2
Imaging module
for Horiba
Raman microscopes
N/A
SWIFT v2 module allows user to obtain confocal Raman images with the click of a button. It is an alternative to optical
imaging techniques and can be used to survey 3D sample
structures and surface features. SWIFT is suitable for use
with all lasers from UV through to near infrared on Horiba
Scientifc Raman instruments.
Spinsolve
Expert
NMR software
N/A
New software interface for the Spinsolve Benchtop NMR

spectrometer that allows user to take full control of the
spectrometer.
ACD/Labs
CEM
Corporation
Fiveash Data
Management,
Inc. (FDM)
Horiba
Scientifc
Magritek
have new instruments in this category.

B&W Tek is showing a UVvis spectrometer using a low stray light CzernyTurner spectrograph, with a cooled
(25 C), high quantum efficiency, back-
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thinned (BT) CCD detector and several

other features. CEMs newly developed
Flash Photometer allows analysis of Na, K,
and Ca, in all types of food products in less
than 10 min. GratingWorks demonstrates
a dual beam version of the previous Concavus spectrometer; several specifications

are shown. Hanby Petroanalysiss new Hydrocarbon ID is a field device that uses a
chemical reaction and a spectrometer to get
ES604677_Spec0515_043.pgs 04.24.2015 03:27
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May 2015
Table XI: UVvis products

Company
Name
B&W Tek
CEM
Corporation
Product Name
Exemplar Pro
iFlash
Product Type
UVvisNIR
spectrometer
Flash
photometer
Measurement
Mode
N/A
A UVvis spectrometer utilizing a low stray light CzernyTurner spectrograph, with a cooled (25 C), high quantum
effciency, back-thinned (BT) CCD detector. It also features a
built-in shutter allowing for dark scan measurements even
while illuminated. It can provide spectra over the entire
1901100 nm spectral range
N/A
The iFlash is a newly developed fash photometer that

allows analysis of Na, K, and Ca in all types of food products in <10 min. This new, simple, and rapid technique for
measuring and controlling Na and K in in-plant process
control can play an important role in food testing laboratories.
GratingWorks
Concavus
Dual beam
UVvis
spectrometer
A dual-beam version of the previous Concavus spectrometer. Spectral resolution is 0.22 NA, and athermal characTransmission teristics of less than 0.15 nm wavelength shift over 1050 C
and
temperature range. The dual-beam spectrometer compenrefectance sates lamp intensity fuctuation in real-time. The system
uses a single concave grating for both beams and exhibits
very low stray light. Can be customized for OEM use.
Hanby
Petroanalysis
Hydrocarbon
ID
UVvis
spectrometer
Absorbance
The new Hydrocarbon ID is a feld device that uses a chemical

reaction and a spectrometer to get a spectral curve or fngerprint of the hydrocarbon for both qualitative and quantitative analysis, to create a new method for fngerprinting
hydrocarbons including crude oils.
Refectance
Completely integrated VNIR (4001000 nm) hyperspectral

sensor. The all-refective concentric optical layout (a pushbroom type) comprises mirrors and custom diffraction
gratings, with no moving parts and excellent temperature
insensitivity. Key features include aberration correction, a
wide feld of view, and high spatial and spectral resolution.
Headwall
Photonics, Inc.
Industrial
Test Systems
NanoHyperspec
eXact iDip
Imaging
spectrometer
The frst photometer in the water quality testing market

to provide two-way wireless connection (Bluetooth Smart)
Handheld
the iPhone, iPad, iPod Touch, and Android. Uses realphotometer and Transmission with
time mobile sharing of results via email or exported as a
colorimeter
CSV fle. Built-in GPS feature. Allows for easy retrieval of
water locations.
V-700 Series
UVvis spectrophotometers
Transmission, diffuse,
and specular
refection
New V-700 series of UVvis and NIR spectrophotometers

consists of fve distinct models, including the new V-780
UVvis/NIR with a single monochromator, dual-grating,
dual-detector design and an InGaAs NIR detector for enhanced sensitivity in the NIR region.
TIDAS S MSP
Hyperspec
UVvisNIR
spectrometer
Transmission,
refectance,
and
fuorescence
Fast scanning by coupling to camera,provides the combination of spectral data with spatial information. Adaptability
with nearly any model microscope opens a wide feld for
applications in life and material sciences.
Clean Monitor
Process
Technology
UVvis
spectrometer
with RVP
fowcell
In-line UVvis spectroscopy for rinse monitoring of clean-inplace (CIP) processes with reproducible variable path (R.V.P.)
fowcell. This in-line CIP analyzer provides quick feedTransmission length
back, reduces dead-time, and ensures optimal cycle times,
thereby saving costs. High sensitivity and fast response time
allow the monitoring of cleaning processes in real time.
Deep UV
Luminescence
Spectrophotometer
Deep UV
luminescence
spectrophotometer
Transmission,
refection,
fuorescence,
luminescence,
and phosphorescence
Enables deep ultraviolet spectrophotometry as well as VUV

excitation and broadband emission measurement capability. Detects wavelengths up to 2.2 m. High effciency
toroidal optics for focused excitation and sensitive detection. Inert gas purged or high-vacuum sample environment
with interface to commercial cryogenic and heated sample
mounts. Auxiliary ports for electrical excitation, X-ray sources, lasers, and output to diverse and even fber-connected
spectrometers.
Ocean Optics
STS
Developers Kit
Developer's kit
for laboratory
analysis, process
applications,
and handheld or
portable use
N/A
Spectral sensing platform simple tools for integrating

spectroscopy into your system, Raspberry Pi microcomputer
(Linux-powered, programmable microprocessor), power
microspectrometer, (ultracompact STS spectrometer for UV,
vis, and NIR wavelengths), wi-f connection, control spectrometer through phone, tablet, or computer web browser.
PerkinElmer,
Inc.
LAMBDA
265/365/465
UVvis
spectrometers
N/A
A family of benchtop-friendly UVvis instruments offering a

variety of spectral bandwidths with varying other properties: fast, accurate, affordable results, compact, versatile,
high-performance PDA.
Jasco
J&M Analytik
McPherson
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May 2015
Table XI: UVvis products (continued)

Company
Name
Product Name
Product Type
Measurement
Mode
PAS 1010
Pulsed-laser
photoacoustic
spectrometer
Pulsed-laser
photoacoustic spectroscopy
UV-1280
Simultaneous
ICP and atomic
emission
spectrometer
UV-3600 Plus
UVvisNIR
spectrophotometer
Quantum
Northwest
Shimadzu
Scientifc
Instruments

The PAS 1010 provides all of the hardware and software
needed to make high quality pulsed-laser photoacoustic measurements, except for the laser. It includes two
integrated energy probes, an energy meter, and updated
temperature control hardware and software.
The ICPE-9800 series systems feature a vertically oriented
plasma torch with dual-view (axial and radial) capabilities.
Eco Mode and a mini-torch system signifcantly minimize
argon gas consumption. 21 CFR Part 11 compliant software
contains multiple assistant functions, including a Method
Development Assistant, Automatic Wavelength Selection,
and a Diagnosis Assistant.
N/A
Three detectors to ensure high sensitivity across the measured

wavelength range (1853300 nm). High-performance double
Transmission monochromator for ultralow stray light level (0.00005% max
at 340 nm) with high resolution. Various accessories and operational modules enable a wide variety of measurements.
PSR+
Field-portable
UV-vis
spectrometer
Refectance,
absorption,
transmission, and
direct energy
(radiance and
irradiance)
Portable lightweight (7 lb) spectroradiometer (3502500

nm). No moving optics. Resolution: 3 nm at 700 nm. Aluminum chassis and integrated heat dispersion channels. 1000
scan storage, auto-shutter, auto-exposure, and auto-dark
correction.
SR-1901PT
spectroradiometer
Spectroradiometer
Irradiance
Pulsed energy analysis, 2801900 nm. Dual array detectors,

150 ms integration time, external TTL phototrigger, jitter
100 ns, NIST traceable irradiance calibration, 1.2-m dual
fber optic with diffuser.
UVvisNIR
spectrophotometer
N/A
Designed to meet the needs of integrating sphere owners

doing radiometric calibration transfer for satellite systems,
or for any users who have system lamps with high operating
hours, light sources more than two years old, a mandate for
scheduled calibration, or systems that are just too large to
send out for calibration. With the SR-4500, calibration can
be accomplished on-site.
UV-470-151
spectrometer
UVvis
spectrometer
Transmission,
refectance,
absorbance,
color measurement,
emission, and
fuorescence
Aberration-corrected, concave, holographic UV blazed

diffraction grating. S/N of 1600:1 with a dynamic range of
7200:1 and a stray light of 0.07% at 340 nm. Wavelength
range 190850 nm. This new version of the UV 470 spectrometer is a UV-470-151, which incorporates the Hamamatsu S11151 CCD chip.
StellarNet
SILVER-Nova
UVvis
spectrometer
Absorbance,
transmission,
refectance,
and radiometery
The most well-rounded spectrometer choice in StellarNets line

of spectrometers, using a composite grating technology UV enhanced CCD detector with integrated TE cooler, gain enhancements, and optimized optical lens assemblies.
Tec5USA Inc.
Multichannel
Spectrometer
System
Integrated UV
visNIR spectrometer system
and fber-optic
switch
Spectral
Evolution
SR-4500
spectroradiometer
Spectrum
Scientifc Inc.
N/A
Integrated fber-optic multiplexer with the spectrometer

module, light sources, and all the necessary electronics. It
minimizes the distance between the light source and the
common arm of the switch. The system can be customized
over various ranges from 200 nm to 2150 nm.
a spectral curve or fingerprint of the hydrocarbon; this system combines the concept
of a dedicated analyzer (a trend discussed
above) with the concept of an automated
analyzer. Headwall Photonics, Inc., has a
completely integrated VNIR (4001000
nm) hyperspectral sensor. Industrial Test
Systems had the first photometer in the
water quality testing market to provide twoway wireless connection. Jasco showed its
new V-780 UVvisNIR instrument with a
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detector design, and an InGaAs NIR detector, which is part of a five-instrument set of
distinct models. J&M Analytik showed fast
scanning by coupling to a camera. McPherson showed deep UV spectrophotometry,
as well as VUV excitation and broadband
emission measurement capability. Ocean
Optics, instead of an instrument, showed
its spectral sensing platform essentially
a developers kit containing simple tools for
integrating spectroscopy into your system.
PerkinElmer has a family of benchtop-
friendly UVvis instruments offering a variety of spectral bandwidths with varying

other properties. Quantum Northwest also
has what amounts to a developers kit that
provides all of the hardware and software
needed to make high-quality pulsed-laser
photoacoustics measurements, except for
the laser. Shimadzus instrument features
a simultaneous ICP and atomic emission
spectrometer. Spectral Evolution has a
portable lightweight (7 lb) spectroradiometer (3502500 nm) with no moving optics,
ES604666_Spec0515_045.pgs 04.24.2015 03:25
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May 2015
Table XII: X-ray products

Company
Name
Product Name
Product Type
Applied Rigaku
Technologies,
Inc.
NEX QC
QuantEZ
Energydispersive X-ray
spectrometer
Measurement
Mode
EDXRF
Nondestructive analysis of 11Na to 92U, ability to analyze

solids, liquids, alloys, powders, and thin flms, 50-kV X-ray
tube for wide elemental coverage, SDD detector for superior resolution, multiple automated tube flters, optional
fundamental parameters analysis.
EDAX, Inc.
XLNCE
SMX-BEN
X-ray
spectrometer
N/A
Nondestructive coating thickness measurement technology. Features include: an array of choices for X-ray optics
and primary flters; the latest generation of silicon drift
detectors; analysis software platform for empirical and
fundamental parameters (FP) analyses and a large analysis
chamber with motorized X-Y-Z sample stage.
PANalytical
Zetium
XRF
N/A
Zetium combines up to three complementary technologies.

Wavelength dispersive (WD), energy dispersive (ED) cores
integrated by SumXcore technology. ED- and WDXRF cuts
experimental time by 50%.
SPECTRO
xSORT Alloy
Handheld XRF
spectrometer
N/A
Entry-level model uses an innovative silicon PIN (Si-PIN)

detector. Get grade identifcation of metals in 2 s without
extensive analysis. With the xSORT familys reliability and
ease of use, SPECTRO xSORT Alloy is ideal for quick incoming inspection of materials.
N/A
Designed for advanced metals analysis. Features new topof-the-line silicon drift detector (SDD), the xSORT Alloy
Plus provides reliable, high-productivity measurement and
analysis. Obtain metal grade analysis in only 2 s for most alloys; 10 additional seconds to sort light elements such as
magnesium, aluminum, silicon, phosphorus, and sulfur.
N/A
SPECTROs largest silicon drift detector (SDD) handheld XRF

delivers fast, reliable measurement and elemental analysis of nonmetallic materials. Generate high-productivity
spot checks in a few seconds, or hold on the sample longer
for laboratory-quality parts-per-million results.
SPECTRO
Analytical
Instruments
SPECTRO
xSORT Alloy
Plus
Handheld XRF
spectrometer
SPECTRO
xSORT
Non-Alloy
Handheld XRF
spectrometer
as well as others. Spectrum Scientific Inc.,

has an instrument with an aberration-corrected, concave, holographic UV-blazed
diffraction grating and a set of impressive
specifications. StellarNet showed the most
well-rounded spectrometer choice in StellarNets line of spectrometers. Tec5USA
showed an integrated fiber-optic multiplexer with the spectrometer module, light
sources, and all the necessary electronics.
In addition, the new LIBS instruments
discussed in the atomic spectroscopy section above also could be included in the
UVvis section.
See Table XI and the on-line information
for more details about these products.
X-ray
Unfortunately, neither of us is an expert in
X-ray technology or its applications. Further, there are only four manufacturers that
contributed to our review, so we have little
basis for comparisons or detecting trends.
All we can realistically do is to present the
information we obtained and allow those
of our readers who have the necessary expertise to evaluate the instruments. They
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are all X-ray fluorescence spectrometers,

with the given characteristics.
Applied Rigaku provides nondestructive analysis of elements Na to U, with
an ability to analyze solids, liquids, alloys,
powders, and thin films. Edax specializes
in nondestructive coating thickness measurement technology. PANalytical combines up to three complementary technologies: wavelength dispersive (WD),
energy dispersive (ED), and cores integrated by SumXcore technology. SPECTRO Analytical Instruments has a series
of handheld X-ray fluorescence (XRF)
spectrometers from an entry-level model
to one using the largest silicon drift detector (SDD) available for handheld XRF.
See Table XII and the on-line information for more details about these products.
Appendix IV: Mass spectrometry

Appendix V: Mid-IR
Appendix VI: NIR
Appendix VII: NMR
Appendix VIII: Raman
Appendix IX: Software
Appendix X: UVvis
Appendix XI: X-ray
Howard Mark serves on the Editorial
Advisory Board of Spectroscopy and is a
regular coauthor of the Chemometrics in
Spectroscopy column. He also runs a consulting service, Mark Electronics, in Suffern,
New York. He can be reached at hlmark@
nearinfrared.com. Mike Bradley also
serves on the Editorial Advisory Board of
Spectroscopy and is a marketing manager
for FT-IR and FT-IR microscopes at Thermo
Fisher Scientific in Madison, Wisconsin.
On-Line Appendixes
Additional product details appear online in the appendixes, at www.spectroscopyonline.com/2015-review:
Appendix I: Accessories
Appendix II: Atomic spectroscopy
Appendix III: Components

ES604671_Spec0515_046.pgs 04.24.2015 03:27
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Lightest touch
heaviest load
NEW
8T, 1
5T, 2
5T, 4
0T
P
RESS
ES
The all NEW Atlas Autotouch Presses are programmable, microprocessor controlled,
power assisted hydraulic presses operating up to a maximum of 8, 15, 25, & 40 Ton loads.
The Atlas Autotouch Presses are simple to use and program, via touch screen symbols and prompts.
And they are ideal for a wide variety of pressing applications i.e. XRF and IR sample preparation.
Specac also offer the most comprehensive range of sample preparation presses with the assurance of unrivalled
technical back-up and applications advice, giving you complete peace of mind with every Specac purchase.
THE WORLDS LEADING SPECTROSCOPIC ACCESSORY MANUFACTURER
UK : 01689 892902 |
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ES604229_SPEC0515_047_FP.pgs 04.24.2015 01:31
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May 2015
An Interlaboratory Comparison
Study for the Determination of
Arsenic and Arsenic Species in
Rice, Kelp, and Apple Juice
An interlaboratory comparison study for the measurement of arsenic species in rice, kelp, and
apple juice was carried out. The purpose of the study was to enable participating laboratories
to evaluate their analytical capability to determine inorganic arsenic, arsenite, arsenate, monomethylarsonic acid, and dimethylarsinic acid, assess the intercomparability of the data generated, and look for any correlation trends between the results and the analytical procedures
used. Approximately, 66% of laboratories achieved an overall score of 3 (good) or 4 (outstanding), based on the absolute Z-value statistical analysis procedure, indicating that there was generally good agreement between the labs reporting arsenic speciation data for food matrices.
However, only 15% of laboratories achieved an overall score of 4, which could be indicative
that further method development needs to be carried out to achieve a higher level of consistency across multiple laboratories worldwide using different analytical procedures.
Michelle L. Briscoe, Tamas M. Ugrai, Joel Creswell, and Annie T. Carter
his interlaboratory comparison study for the determination of arsenic and arsenic species in rice, kelp, and
apple juice was initiated to provide a reliable means
for laboratories to evaluate their competency in the analysis of arsenic species in these matrices, as well as a metric
for assessing the intercomparability and validity of the data
generated by different laboratories. An additional objective
of the study was to look for any correlation trends between
the matrices analyzed, species determined, and the analytical
procedures used by the different participating laboratories.
The study materials included white rice flour, brown rice
flour, kelp powder, and apple juice. Participants were asked to
analyze the samples for arsenic (As) species using the methods that are commonly used in their laboratory. Participants
were asked to report results for as many of the following analytes as possible, based on their analytical methodology: total
As in the sample, total arsenic in the speciation extract (if
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applicable), inorganic As, As(III), As(V), monomethylarsonic

acid (MMA), and dimethylarsinic acid (DMA). Participants
were asked to measure and report the total arsenic concentration in the sample and in their speciation extract for the
purpose of determining extraction efficiency.
Some of the key features of the study were a broad invitation
to participate; no participation fee; a large group of participating laboratories from around the world; anonymous data submission, analysis, and reporting; and the inclusion of analytical
method reporting. In total, 46 laboratories from 15 countries
registered to participate and were sent the study materials, and
41 datasets were received from 39 laboratories (two of the laboratories submitted datasets by two different methods).
Materials and Methods

Samples Studied
Four materials were studied, as described here:
ES606674_Spec0515_048.pgs 04.27.2015 23:49
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May 2015
Solvent
reservoirs
Vacuum degasser
Column
oven
-
Autosampler
Column
LC pump
Sample
introduction
ICP-MS system
Process Raman Online
Computer
Figure 1: A typical configuration for HPLC coupled with an ICP-MS system.
25,000
AsB
DMA
As(III)
Response (counts/s)
20,000
MMA
15,000
10,000
As(V)
5000
200
400
600
800
1000 1200
Retention time (s)
1400
1600
1800
The HyperFlux P R O is designed for

real time, remote and unattended
operations; reducing material waste,
RSWLPL]LQJVDPSOLQJHIFLHQFLHV
& reducing QA/QC costs
Figure 2: An example of a time-resolved HPLCICP-MS chromatogram of

five 10 ppb arsenic species standards using a Hamilton PRP X100 column.
White and Brown Rice Flour

Milled white rice flour and brown rice flour were provided
by the Dale Bumpers National Rice Research Center (part
of the U.S. Department of Agriculture [USDA] Agricultural
Research Service) in Stuttgart, Arkansas. The rice flours
were grown in the United States and were identified as 2012
Stuttgart, AR/USDA ARS CLXL745 Row Irrigation 40% FC.
The rice flours were analyzed before use in this study, and
the total arsenic concentrations met our criteria for use of
greater than 5 ppb.
Kelp Powder
The kelp powder (Laminaria digitata) was purchased commercially from the bulk foods section of a natural food
co-op in Seattle, Washington. This organic product was harvested from a remote bay off the northwest coast of Iceland.
According to the manufacturer, the kelp was grown deep in
the tidal zone, away from the shipping lanes, where it would
hypothetically not be exposed to the pollutants present in
more industrialized areas. The kelp powder was analyzed
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Process
Control
Process
Development
Process
Trending
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ES606681_Spec0515_049.pgs 04.27.2015 23:50
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May 2015
Get to Know
Metrohm
Titration
Percentage of each arsenic species in extract (%)
120%
100%
80%
60%
40%
20%
0%
White rice
As(III)
Ion Chromatography
Brown rice
As(V)
(a)
(b)
10
5
Number of labs
2
1
Mean score
nm
(d)
15
Number of labs
Number of labs
15
(c)
Number of labs
20
Spectroscopy
Process
DMAs
Juice
AsB
Figure 3: The mean arsenic speciation results for each matrix as a fraction of the total arsenic in the extract.
Electrochemistry
Laboratory
Kelp
MMAs
10
5
0
2
1
Mean score
nm
16
14
12
10
8
6
4
2
0
2
1
Mean score
nm
2
1
Mean score
nm
15
10
5
0
Figure 4: Numbers of laboratories per mean score for the four samples studied. Note: nm = not
measured.
Table I: Details of the sample preparation methods used to determine total As
Find out more at

www.metrohmusa.com/technology
Sample Preparation for

Total As Determination
Number of
Labs
% of Total Labs
Microwave digestion
27
71
Hotblock or hotplate
21
Other
Table II: Details of the sample preparation methods used to determine total As
www.metrohm.com
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Analysis Method for Total As Determination
Number of Labs
% of Total Labs
ICP-MS
35
92
HGFAA
HR-ICP-MS
ES606662_Spec0515_050.pgs 04.27.2015 23:48
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before use in the study, and was found to be high in total

arsenic (approximately 50100 ppm).
Apple Juice
The apple juice was purchased commercially from a grocery
store in Seattle, Washington, and was 100% pure juice from
apples grown in the United States. The juice was analyzed before use in this study, and the total arsenic concentration met
our criteria for use of greater than 5 ppb.
Methodology
The rice flour and kelp powder samples were thoroughly homogenized, and aliquots were placed in 50-mL homopolymer
polypropylene vials. Juice samples were distributed into 125mL high-density polyethylene (HDPE) bottles. Both the vials
and the bottles were pretested and found to be from a lot that
was low in total arsenic. Vials and bottles were individually
double-bagged in zip-type bags and stored in cardboard shipping boxes.
All samples were shipped to the participating laboratories
during the first two weeks in April 2013. Participating laboratories were asked to analyze samples for total arsenic and
arsenic species in accordance with their standard operating
procedures and were given no further guidance on analytical
methodology, although they were also asked to supply details
of their standard methodology. However, many of the laboratories that used inductively coupled plasmamass spectrometry (ICP-MS) for carrying out total As determinations also
cited two well-established publications that coupled ICP-MS
to high performance liquid chromatography (HPLC) for the
determination of As species, as the basis for their speciation
analytical methodology (1,2).
The vast majority of participating laboratories in this study
used the HPLCICP-MS approach for carrying out the analyses. This trace elemental determination of arsenic species in
biological samples has been used with great success for more
than 20 years (3,4). Some of the early research showed that
it was possible to separate and detect extremely low levels of
both inorganic and organic arsenic compounds by coupling
an HPLC system to an ICP-MS. In this technique, the species
of interest are separated from one another by injecting the
sample matrix into an HPLC system and then passing the separated eluent into the ICP-MS system for detection. Through
optimization of the chromatographic separation procedure,
column material, elution parameters, and ICP-MS operating
conditions, the different species can be separated to produce
a time-resolved elemental species chromatograph, where the
separated peaks can be detected, measured, and quantified. A
typical configuration for an HPLCICP-MS system is shown
in Figure 1. A time-resolved chromatogram of five As species
arsenobetaine (AsB), dimethylarsinic acid (DMA), As(III),
monomethylarsonic acid (MMA), and As(V) is shown in
Figure 2.
Participants were asked to report the following results, or
subset of results based on their methodology:
Total arsenic (As) in the sample
Total As in the extract (if applicable)
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May 2015
Inorganic As
As(III) arsenite
As(V) arsenate
MMA monomethylarsonic acid
DMA dimethylarsinic acid
Other arsenic species, such as AsB, or unknown arsenic
species were also reported by some laboratories.
All results were reported to an independent third party,
EcoChem, Inc., which is a data validation company that had
no role in the study other than data management. At EcoChem, the dataset was compiled, and a unique identifier was
assigned to each laboratory before it was transmitted to Brooks
Rand Labs. Following the release of the study results (6), each
participating laboratory received its own unique identifier, but
identifiers were not disclosed to any other parties, including
Brooks Rand Labs. This research design ensured there would
be no bias by the preparers of this report against any participating laboratory and that participants could submit data with
the comfort of anonymity.
Equipment Used for the Study

For the analysis of total As, the majority of participating
laboratories used microwave digestion and ICP-MS, while
two of the laboratories used heated graphite furnace atomic
absorption (HGFAA) and one laboratory used high-resolution (HR) ICP-MS. Tables I and II give details of the sample
preparation and analysis methods used to determine total
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ES606667_Spec0515_051.pgs 04.27.2015 23:49
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May 2015
Table III: Laboratory breakdown of the As speciation extraction methods used

Sample Preparation for As
Speciation Determination
Number of Labs
% of Total Labs
HNO3 extraction
26
63
H2O extraction
HCl extraction
Methanol extraction
Trifuoroacetic acid extraction
Other
15
Table IV: Laboratory breakdown of the As speciation separation methods used

Separation Method for As
Table VI: Ratings of laboratory performance based on calculated absolute

Z-values
Number of
Barcode
Channels n
n choose k
Barcode Scheme
k=3
4 (excellent)
0.000.50
3 (good)
0.511.00
2 (acceptable)
1.011.50
1 (poor)
1.512.00
0 (unacceptable)
% of Total Labs
HPLC
37
90
HG-CT-GC*
25
Other
20
Number of labs
Number of Labs
*HG-CT-GC = hydride generation cryotrapping gas chromatography
Table V: Laboratory breakdown of the As speciation detection methods used

Detection Method for As
ICP-MS
Number of Labs
% of Total Labs
37
90
HG*-AAS
HG-AFS
HG-ICP-MS
*HG = hydride generation; AFS= atomic fuorescence spectrometry
Greater than 2.00
15
10
5
0
2
Mean score
Figure 5: Numbers of laboratories per mean

score for all test matrices combined.
As. Tables III, IV, and V give a breakdown of the As speciation extraction,
separation, and detection methods,
respectively.
Data Analysis and Calculations

Each laboratory was asked to report
an analytical result, detection limit,
and date of analysis for each sample
and analyte. These data were the basis
of the scoring used to evaluate the intercomparison study. In addition, each
laboratory reported information on the
sample preparation, extraction method,
separation technology, analytical methodology, and equipment used. These
data were used to compile assessments
of the performance of various analytical
methods, but were not used in laboratory scoring.
Statistical data analysis was performed following the method favored
by the United States Geological Surveys (USGS) Standard Reference Sample Project, with data evaluation using
nonparametric statistics (5). This statistical approach was chosen because it is
median-based and therefore unaffected
by the influence of outliers.
The absolute Z-value for each result is
calculated using the following equations:
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ES606676_Spec0515_052.pgs 04.27.2015 23:49
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Z = |(X M)|/F
May 2015
[1]
and
800,000
F = Q/1.349
[2]
700,000
where Z = the absolute Z-value assigned to each result for the purpose
of assigning a rating; X = the reported
value; M = the median value reported
by all laboratories (excluding values
below the reported detection limit); F
= the F-pseudo-sigma (approximates
the standard deviation of traditional
statistics when the data has a Gaussian
distribution); calculated by dividing the
interquartile range (or fourth-spread) by
1.349. The 1.349 value is derived from
the number of standard deviations that
encompasses 50% of the data; and Q =
the interquartile range (the difference
between the first quartile and third
quartile of a set of data).
Participating laboratories were requested to report undetected (u) values
as being less than their detection limit.
600,000
The next
Overlap of AsB/DMA/As
As (V)
500,000
400,000
300,000
200,000
MMA
100,000
0
200
200
200
200
200
200
1400
Figure 6: Chromatogram of the separation of different arsenic species on an ESI CF-Cr-01 column,
showing the AsB, DMAs, and As(III) being coeluted (chromatogram provided by unidentified
participating laboratory).
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ES606663_Spec0515_053.pgs 04.27.2015 23:48
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May 2015
If a value was less than that laboratorys reported detection

limit, then that value was omitted and the u qualifier was
added. For these samples, performance was not rated, with
the following exception. If the laboratorys detection limit
was less than the median value reported by all laboratories
and had a Z-value greater than 2, then the laboratory would
receive a rating of 0 for that analyte (potential false negative).
To assign a score to each laboratorys performance, ratings
were assigned based on each laboratorys absolute Z-value for
each analyte, as listed in Table VI.
Scores were not assigned if the overall number of data
points for the analyte and sample in question (omitting values that were less than the reported detection limit) was less
than seven or when the calculated F-pseudo-sigma value (F)
was greater than the median value (M).
Analytical Results
The results reported by each laboratory for each of the material types can be found in the final Brooks Rand Labs report
(6), along with the median (M) value, the mean value, the Fpseudo-sigma (F) value, and number of laboratories reporting results above their detection limit (n) for each parameter.
The complete data set will not be reported in this article,
but a summary of the M values for each analyte are listed in
Table VII. Values in parentheses were associated with F values that were greater than the M values, or with datasets with
less than seven results; therefore, the variability in the data
was too high or the number of results was too small to use
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the M value as a consensus value for the purpose of scoring

the individual laboratories results. A reported result of ND
means that all reported values were less than their associated
detection limits. It should also be noted that two laboratories reported measuring unidentified arsenic species at levels
above their detection limit in the kelp powder sample.
The arsenic speciation results as a fraction of the total
arsenic in the extract are shown in Figure 3. For the rice
samples, the inorganic arsenic made up about 80% of the
total arsenic in the extract, with the sum of the species totaling just over the result for total arsenic in the extract (shown
as >100%). This is consistent with inorganic arsenic results
reported in the literature (7,8). For the kelp powder sample,
the sum of the species totaled approximately 50% of the total
arsenic found in the extract, indicating that there were forms
of arsenic present that were extracted but not determined by
the analytical techniques used. With the apple juice extract,
nearly 95% of the arsenic found was in the inorganic form.
Participating Laboratories
Of the 47 laboratories that agreed to participate in this study,
46 of them received the study materials; one laboratory in
Mexico was not able to import the materials. Of the 46 laboratories that received the study materials, 41 datasets were
received from 39 laboratories (two laboratories reported data
by two methods). The list of the participating laboratories
can be found in the final report. Of the participating laboratories, only 11 laboratories reported all of the requested
parameters in every material type. Nearly half of the laboratories (20 out of 41) did not report results for both total
arsenic in the sample and total arsenic in the extract; therefore, extraction efficiencies for those laboratories could not
be calculated. In fact, four of the laboratories (numbers 6, 19,
26, and 27) did not report any total arsenic data.
Of the 39 participating laboratories, approximately onethird of them were from outside of North America. Of the
North American participants, all were from the United
states, with the exception of one laboratory from Canada.
Of the laboratories from the United States, nine (38%) were
private commercial or industry testing laboratories, eight
(33%) were state laboratories representing seven states, five
(21%) were laboratories associated with the U.S. Food and
Drug Administration (FDA), and two (8%) were university
laboratories. There were eight participating laboratories from
Europe (21%) representing five countries. In addition, there
were four participants from Asia and one each from Australia and New Zealand. Table VIII summarizes the regional
participation in this study.
Laboratory Performance Ratings

In total, the participating laboratories generated results
comprising 546 data points, which were used for scoring.
The mean scores for the various analytes were relatively
consistent, with an overall score for the study of 2.6, and
with mean scores ranging from 2.6 for the total As in the
sample to 2.9 for the DMA. This can be seen more clearly
in Table IX.
ES606664_Spec0515_054.pgs 04.27.2015 23:48
ADV
Similarly, the mean scores for the

sample matrices were also relatively
consistent, ranging from 2.5 for the
brown rice f lour to 2.9 for the kelp
powder, as shown in Table X.
Figure 4 groups the participating
laboratories based on the performance
scores for each of the studied materials. The distribution of average scores
for these four matrices were quite similar, with an average score of 2.7 for the
white rice flour, 2.5 for the brown rice
flour, 2.9 for the kelp, and 2.6 for the
apple juice. The scores for all matrices
combined are summarized in Figure 5.
These data generated an overall mean
score for the study of 2.6.
It should be emphasized that the
majority of laboratories participating
in this study (66%) achieved an overall score of 3 or 4 (good or excellent)
indicating that there is generally good
intercomparability amongst most laboratories that are reporting total arsenic
and arsenic speciation data for these
matrices. In total, 93% of the laboratories received an overall score of 2 (acceptable) or better, and only two laboratories (7%) received scores of 1 or 0
(poor or unacceptable). However, with
only six laboratories (15%) receiving an
overall score of 4, it is clear that further analytical method development is
required to achieve a high level of consistency across multiple laboratories
using various methods worldwide.
Its also important to keep in mind
that the studied matrices do not have
true or assigned values because
they are not certified reference materials. The median of all results was used
as the most probable value (M-value) for
each analyte. Therefore, if many laboratories used the same method, and that
method is prone to errors from species
conversion or species coelution, then
the resulting M-values have the risk of
being biased. This is exemplified by the
fact that many laboratories used a nitric
acid sample extraction for the speciation analyses, which has the potential
to cause oxidation of some or all of the
As(III) species to As(V) (2). In addition,
when extracts of samples containing
significant levels of arseno-sugars or
AsB (for example, sea plants) are analyzed on some LC columns, there is a
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May 2015
strong possibility of coeluted As(III),

AsB, and other large organic arsenic
molecules such as dimethylarsinic acid
(DMA) (2). For that reason, if the appropriate steps are not taken, these types
of interferences will most likely produce erroneous results. This is exemplified in the chromatogram in Figure
6, which shows that the first eluted peak
is probably an overlap of AsB, DMA,
and As(III). The second small peak is
monomethylarsonic acid (MMA), while
the final peak eluted peak is As(V).
Results and Discussion
Extraction Efficiency
For the determination of arsenic species
in any solid food matrix, a successful
extraction method must meet three important criteria:
It must be capable of extracting all the
arsenic species from the matrix.
It must preserve both oxidation and
complexation states, unless only the
inorganic species are of interest.
It must be able to produce a solution
that is compatible with the separation
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ES606678_Spec0515_055.pgs 04.27.2015 23:50
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May 2015
160
Extraction efciency (%)
140
120
100
80
60
40
20
0
12 27 31 08 38 25 05 04 26 24 33 32 16 21 23 30 22 35 29 01 39 14 36 07
Laboratory number
Methanol extraction
H2O extraction
Enzymatic extraction
HNO3 extraction
Figure 7: The mean extraction efficiency for total arsenic in the solid samples (rice and kelp
samples), with extraction methods indicated by pattern and the mean extraction efficiency
indicated by the solid black line.
As(V)
60
As(III)
50
40
30
20
10
0
Methanol extraction
Enzymaticextraction
H2O extraction
H2O extraction
HCl extraction
HCl extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
HNO3 extraction
Concentration (g/kg)
70
Extraction technique
45
40
35
30
25
20
15
10
5
0
Median
L031
L040
L021
L013
L032
L026
L031
L007
L039
L037
L015
L009
L004
L023
L010
L020
L038
L036
L024
L014
L022
L031
L017
L025
Figure 8: Inorganic arsenic values in brown rice displayed by extraction method.
Laboratory number
H2O extraction
HCl extraction
HNO3 extraction
Figure 9: DMA in brown rice displayed by laboratory number and extraction procedure.
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and analytical methodologies.

Typically, samples are prepared for
total arsenic determination using aggressive dissolution reagents that completely liberate all arsenic from the matrix. However, for speciation analysis,
less aggressive reagents have to be used
to preserve oxidation and complexation
states. Different extractant or matrix
combinations can have very different
extraction efficiencies. Therefore, it is
important to compare the total amount
of arsenic found in the extract for speciation analysis to the total amount of
arsenic in the sample. As previously
stated in this study, the majority of the
laboratories used a dilute nitric acid
extraction method for the preparation
of the speciation samples. To assess
the extraction efficiency of the sample
preparation method used in this study,
laboratories were asked to measure the
total arsenic concentration in both the
sample and the speciation extract. The
total arsenic extraction efficiency was
then calculated by dividing the result
for total arsenic in the extract by the result for total arsenic in the sample. The
extraction efficiency for the two rice
samples and one kelp sample for each
laboratory were then averaged, and the
results are shown in Figure 7.
It should be noted that only 59% of
the laboratories reported extraction efficiency data. The mean extraction efficiency for all results reported for the
solid samples was 93 23%. An indication of the extraction method used by
each laboratory is provided by the pattern of the bar in Figure 7. The majority
of the laboratories that reported results
for both total arsenic in the sample and
total arsenic in the extract used some
form of nitric acid extraction method
(blue). Many of these laboratories followed the procedure described by the
FDA (2). With the exception of the
highest and the lowest value, all extraction efficiencies for samples prepared
with a nitric acid extraction method
were between 80% and 120%. In contrast, with the exception of one laboratory, extraction efficiencies for samples prepared with methanol or water
extraction were typically much lower
(4070%). In reviewing the detailed
descriptions of the sample preparation
ES606671_Spec0515_056.pgs 04.27.2015 23:49
ADV
10,000
1000
100
10
1
L0
4
L0 0
1
L0 6
1
L0 3
1
L0 2
3
L0 7
3
L0 1
3
L0 8
0
L0 5
1
L0 5
1
L0 4
0
L0 4
2
L0 4
3
L0 6
0
L0 7
2
L0 5
2
L0 2
1
L0 0
2
L0 7
3
L0 4
0
L0 8
2
L0 3
3
L0 5
39
Concentration (g/kg, log scale)
100,000
Laboratory number
(b) 100,000
10,000
1000
100
10
1
L0
12
L0
29
L0
31
L0
13
L0
24
L0
36
L0
23
L0
35
L0
14
L0
15
L0
10
L0
27
L0
38
L0
04
L0
40
L0
16
L0
11
L0
22
Brown Rice
The results and characteristics for white
rice flour and brown rice flour were
found to be very similar; therefore, the
white rice data are not shown separately
in this section.
The median result for As(III) in
brown rice was found to be 33 g/kg.
This is exemplified in Figure 8, which
shows inorganic arsenic values displayed
by extraction method. The laboratories
that reported As(III) results within 20%
of the median value were well distributed between those that used methanol, water, enzymatic, and nitric acid
extraction methods. However, only 12
laboratories reported As(V) results at
(a)
Concentration (g/kg, log scale)
methods provided by the laboratories,

only one laboratory used microwave
heating in conjunction with the methanol extraction, which may account for
the improved extraction efficiency.
The impact of the extraction procedure can be exemplified by taking a
closer look at the brown rice and kelp
sample matrices.
May 2015
Laboratory number
Methonal extraction
H2O extraction
HCl extraction
HNO3 extraction
Other
Figure 10: (a) DMA and (b) MMA results for the kelp powder sample for the individual laboratories,
displayed by extraction technique (note: graphs use a logarithmic scale).
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ES606675_Spec0515_057.pgs 04.27.2015 23:49
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May 2015
70,000
60,000
50,000
40,000
30,000
20,000
As(III)
10,000
As(V)
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Not specied
Dionex IonPac AS7
Hamilton PRP X100
Dionex IonPac AS16
Hamilton PRP X100
HG-AAS
Hamilton PRP X100
Hamilton PRP X100
Dionex IonPac AS7
Hamilton PRP X100
C18 column
Hamilton PRP X100
Not specied
Hamilton PRP X100
Supelcosil LC-SCX
Agilent G3288-80000
Not specied
Supelclean LC-SAX
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Separation technique
25
20
15
10
5
0
Supelclean LC-SAX
Polymethacrylete column
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Dionex IonPac AS7
Hamilton PRP X100
Not specied
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
HGAAS
Hamilton PRP X100
C18 column
Hamilton PRP X100
Hamilton PRP X100
Hamilton PRP X100
Not specied
Hamilton PRP X100
Supelcosil LC-SCX
Agilent G3288-80000
Hamilton PRP X100
Not specied
Figure 11: Wide range of results for inorganic As in kelp, displayed by separation and column technology.
As(V)
As(III)
Separation technique
Figure 12: Inorganic arsenic in apple juice (direct injection into the HPLC column) by separation technique.
Table VII: A summary of the median values (M) for each analyte of each studied material
in g/kg (ppb)
M Values
(g/kg)
Total
Total
As in
As in
Sample Extract
As(III)
As(V)
Inorganic
MMAs
As
DMAs
AsB
White rice
four
40.70
39.90
25.91
(6.49)
30.15
(2.86)
8.49
ND
Brown rice
four
52.46
54.00
33.00
11.15
38.90
(2.75)
7.71
ND
Kelp powder
63,700
59,335
(3790) 20,924
23,763
(1530)
(1467)
3837
Apple juice
16.64
14.57
13.95
(0.60)
(0.35)
ND
1.84
quantifiable levels, while seven did not

report As(V) values at all. Also, 22 of
the laboratories actually reported results
that were below their detection limits.
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12.50
Most of the laboratories that reported

As(V) used a nitric acid digestion technique. The median value of the As(V)
results that were quantifiable was 11 g/
kg. However, the relative standard deviation (RSD) was 70% from those reporting laboratories. For this reason, it is very
difficult to assess the true value of As(V)
in the brown rice sample, with such a
large number of nondetected results.
The MMA results in rice were negligible, with very few laboratories reporting results, and because all the reported
results were at or near their detection
limits, these data are not shown. It is
also important to emphasize that only
half of the laboratories participating in
the study were able to quantify DMA
in rice with a median concentration of
7.7 g/kg. Most laboratories that reported DMA in the rice flour used a
nitric acid digestion. The DMA data in
brown rice are shown in Figure 9.
Kelp
The kelp was included in the study because of the recognized high level of arsenic typically associated with this matrix.
In addition, there are many less common
organic arsenic species found in kelp. The
DMA results in particular varied widely
with a range of 33137,068 g/kg. Of
the 23 laboratories that reported DMA,
nine laboratories reported results of less
than 1000 g/kg, while 10 laboratories
reported results in the 100010,000 g/
kg range, and four reported results over
10,000 g/kg. The MMA results also varied widely with a range of 2148,186 g/
kg. Of the 18 laboratories that reported
MMA, eight reported results of less than
1000 g/kg, five reported results in the
100010,000 g/kg range, and five laboratories reported results over 10,000 g/
kg. The DMA and MMA results for the
individual laboratories displayed by extraction technique are shown in Figures
10a and 10b (note: graphs use a logarithmic scale).
Chromatographic
Separation Procedures
As mentioned earlier, after arsenic is
extracted from the solid matrices, most
participating laboratories used a method
in which the oxidation states are separated by liquid chromatography and
then quantified using ICP-MS. The
challenges of this technique are achieving good chromatographic separation of
the individual species, preventing coelu-
ES606661_Spec0515_058.pgs 04.27.2015 23:48
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May 2015
Table VIII: Number of participating

laboratories by region
Number of
Participants
% of Total
Participants
North
America
25
64
Europe
21
Other
15
120
Percentage of participants
(%)
Region
Table IX: The mean scores for each analyte for all material types
100
80
60
40
Mean
Score
Number of Data
Points Used for
Scoring
Total As in
sample
2.6
136
As(III)
Total As in
extract
2.7
79
Data reported
As(III)
2.6
88
As(V)
2.8
72
Inorganic As
2.7
122
Analyte
DMA
2.9
49
All analytes
2.6
546
tion, and preventing shifting retention

times because of matrix effects. To better
understand the impact of the different
separation technologies used, the kelp
and apple juice sample matrices are further elucidated upon.
Quantification of Kelp
In this study, 24 of the participating
laboratories used a Hamilton PRP-X100
column (Hamilton Company), and of
those, most laboratories followed the
FDA 4.11 method. According to the
FDA method, the Hamilton PRP-X100
series column is prone to coelution
and interferences at or near the retention time of the As(III) peak for species
such as AsB, as described earlier. The
method uses an oxidizing check to convert As(III) to As(V), which is eluted at
a much later, interference-free retention
time. The retention time for As(III) is
then evaluated to identify any residual
interfering peaks. Furthermore, the
method deliberately uses an AsB check
standard as a resolution check to see if
the chromatography can differentiate
between AsB and As(III). However, if
the sample matrix causes retention time
shifts, there is a possibility of coelution
and peak misidentification (a risk with
many column types).
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20
As(V)
DMA
MMA
Not measured
Non detect
Figure 13: The variability of the detectability of the submitted speciation results for brown rice, as
a percentage of the participating laboratories (note: white rice gave very similar results).
Table X: The number of laboratories receiving each score for each of the sample matrices
analyzed in the study, along with the mean score for each matrix
Assigned
Score
Number of Laboratories Receiving Each Score

White Rice
Flour
Brown Rice
Flour
Kelp Powder
Apple Juice
All Matrices
14
12
15
15
13
21
10
11
Not
measured
2.7
2.5
2.9
2.6
2.6
Mean score
Figure 11 shows the wide range of results for inorganic As in kelp, displayed
by separation and column technology.
The As(V) values are more consistent,
with an RSD of 40% covering a range of
values of 75020,000 g/kg, whereas the
As(III) values gave an RSD of 122% with
a much broader range of nondetectable
to 40,000 g/kg. The As(III) results were
disproportionately related to the separation procedure that gave high total inorganic As results. The high As(III) results
could potentially have been because of
peak misidentification or coelution because of the presence of AsB in the kelp.
Quantification of Apple Juice
In this study, 70% of the laboratories reported that they injected the apple juice
directly into the HPLC column, without
using any sample preparation procedure.

This gives insight into the low reported
method detection limits (compared to
the solid samples), because of the 26
laboratories that reported As(III) in the
undigested juice samples, six reported
results below their detection limits, 13
reported results of 12 g/kg, while
seven laboratories reported results of
26 g/kg. The detection limits varied,
but 77% of the laboratories reported detection limits that were 1 g/kg or lower.
As(V) showed consistent results with almost 80% of the laboratories reporting
results within 1 standard deviation of
the median and achieved detection limits of well below the median value. By
direct injection into the HPLC system, it
is shown in Figure 12 that most separation techniques compare well for inor-
ES606670_Spec0515_059.pgs 04.27.2015 23:49
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May 2015
(%)
120
100
80
60
40
20
0
As(III)
Data reported
As(V)
DMA
Not measured
MMA
Non detect
Figure 14: The variability of the detectability of the submitted speciation results for kelp powder,
as a percentage of the participating laboratories.
(%)
120
100
80
60
40
Overall Conclusions
20
0
As(III)
Data reported
As(V)
DMA
Not measured
MMA
Non detect
Figure 15: The variability of the detectability of the submitted speciation results for apple juice,
as a percentage of the participating laboratories.
ganic As. Its also worth noting that the

laboratory that used the C18 column has
inverse As(III) and As(V) results compared to the median values in the study.
The MMA results in juice were negligible, with very few laboratories reporting results and all results near their
detection limits. Only half of the laboratories reported DMA results that were
above their detection limits and only a
quarter were more than twice their detection limits. For this reason, these data
are not shown.
The overall variability of the detectability of the submitted results, as a per-
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results to brown rice, with regard to the

percentage breakdown of participating
laboratories.
As mentioned in the introduction, the
main objective of this arsenic speciation
interlaboratory comparison study was
to provide a reliable means for laboratories to test their analytical procedures
to evaluate their competency in the
analysis of arsenic species in these food
matrices. In addition, it provided an independent assessment of interlaboratory
variations, which are an important metric for assessing the intercomparability
and validity of the data generated by the
different participating laboratories in a
round-robin study. In total, 27 (66%) of
laboratories participating in this study
achieved an overall score of 3 (good) or
better, indicating that there was generally good agreement between the laboratories reporting arsenic speciation data
for these matrices. Of those 27, only six
laboratories (15%) achieved an overall
score of 4 (outstanding). This is probably
indicative that further method development needs to be carried out to achieve
a higher level of consistency across multiple laboratories worldwide using different analytical procedures.
centage of the participating laboratories,

is exemplified in Figures 1315, which
compare the number of participants reporting actual data with those reporting that data were below the detection
capability for the studied matrices or not
measured. A nondetectable result may
be indicative of arsenic levels in the samples that were too low for the technique
used for the quantification, whereas
not measured either indicates limitations of the specific speciation technique
used or the preference of the participating laboratory. It should also be noted
that the white rice gave almost identical
With such a large volume of data generated, it was possible to draw some overall
conclusions, based on correlation patterns between different matrices, species of interest, extraction procedures,
and chromatographic separation and
detection techniques used. For example, methods including a nitric acid hot
block assisted extraction and a Hamilton
PRP-X100 column were by far the most
dominant speciation methods, used by
24 out of the 39 participating laboratories. There was no other method that
was followed by more than 10% of the
laboratories. The dominance of this analytical scheme, comprising over half the
data reported, could possibly bias the
mean values of the study to that method.
For inorganic As, which is the most
important form to be measuring from
a human health risk perspective, statistically valid results were achievable for
all four matrices, with almost 80% of all
laboratories reporting values that were
within one standard deviation of the most
ES606668_Spec0515_060.pgs 04.27.2015 23:49
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probable value. On the other hand, most

likely because of the coelution of some of
the organo-As species with As(III), the
data generated for kelp was extremely
variable with RSD values of 40120% for
some species. This could also be related
to the fact that the predominant method
used is optimized for the analysis of rice
products, which typically have much
lower arsenic levels than kelp, which is
known to contain up to 100 mg/kg (ppm).
If we take a look at individual sample matrices, the nitric acid hot block
extraction of the rice samples gives a
greater spread in inorganic arsenic than
the combination of other sample preparation techniques. The sum of inorganic
arsenic shows a smaller standard deviation than of both As(III) and As(V), possibly indicating some degree of species
conversion.
The median of each species of arsenic
in the kelp sample was very high, which
showed a greater variability both by column and separation technique used.
As(III), DMA, MMA, and AsB all had
variable results potentially because of
peak coelution or species conversion resulting in possible peak misidentification.
With regard to the apple juice, most
laboratories did not carry out any preparation of the sample, which resulted in
lower method detection limits. As(III),
MMA, and DMA levels were very low
in the sample, resulting in many being
reported as nondetectable. And because
As(V) was the major arsenic species in
the juice samples and was eluted off the
chromatographic column with good resolution, most separation techniques were
able to quantify the arsenic species well.
This study is believed to be the largest interlaboratory comparison study
for full arsenic speciation (not just inorganic arsenic) in food and juice ever
conducted. As a result, individual participating laboratories should learn
from it and use it to evaluate their capability compared to other laboratories
in a similar field of analytical expertise.
However, perhaps the overriding message from this study is that this kind of
intercomparison study is an important
step to identifying the current state of
capabilities and the strengths and weaknesses in the methods. A similar intercomparison study will be conducted in
magenta
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May 2015
2014 and the results will be compared

year over year. This intercomparison
study clearly demonstrated that more
complex matrices, such as kelp, present
a challenge for the arsenic speciation
methods used and steps need to be taken
to enhance their robustness.
(2) US Food and Drug Administration, US FDA Laboratory Methods, Elemental Analysis Manual,
Arsenic Speciation in Rice and Rice Products
Using High Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometric Determination, Section 4.11 (Online,
FDA, Rockville, Maryland, 2012) http://www.
fda.gov/Food/FoodScienceResearch/Labora-
Acknowledgments
This original study and subsequent
paper was made possible by the dedicated effort and input of many people.
Michela Hernandez at EcoChem, Inc.,
received, organized, anonymized, and
archived all of the data. The format of
the study was based on the report for
the 2012 Brooks Rand Instruments
Interlaboratory Comparison Study for
Total Mercury and Methylmercury
(9), authored by Joel Creswell, Virginia
Engel, Annie Carter, and Colin Davies.
Many members of Brooks Rand Labs
contributed to the success of this project. Annie Carter audited the accuracy
of the calculations and statistical analysis that appear in this report. Samantha
Dillon and Cory Wright assisted with
assembling and shipping of the kits of
study materials. Margaret Shultz coordinated the distribution of information
and corresponded with participants as
shipping issues arose. Tamas Ugrai
and Christabel Escarez performed the
screening analyses of more than 20
products to ensure total arsenic concentrations were suitable for this study.
All funding associated with producing
this intercomparison study and the associated report was provided by Brooks
Rand Labs. The authors would also
like to acknowledge the help of Robert
Thomas of Scientific Solutions for the
writing and preparation of this manuscript for publication.
Milled white rice and brown rice flour
were provided by the Dale Bumpers National Rice Research Center (part of the
USDA Agricultural Research Service) in
Stuttgart, Arkansas. Additional logistical assistance in obtaining and shipping
the rice flours to Brooks Rand Labs was
provided by Agilent Technologies and
the University of California, Davis.
References
(1) J. Kirby, W. Maher, M. Ellwood, and F. Krikowa,
toryMethods/ucm328363.htm (accessed June

11, 2014).
(3) S. Caroli, F. La Torre, F. Petrucci, and N. Violante,

Environ. Sci. Pollut. Res. 1, 4 (1994).
(4) J.R. Dean, L. Ebdon, M.E. Foulkes, H.M. Crews,

and R.C. Massey, J. Anal. At. Spectrom. 9, 615
618 (1994).
(5) United States Geological Survey (USGS) Standard Reference Sample Project, Office of Water
Quality, Branch of Quality Systems. http://bqs.
usgs.gov/srs/SRS_Spr04/statrate.htm (accessed June 11, 2014).
(6) M. Briscoe, J. Creswell, and A. Carter, Interlaboratory Comparison Study for Arsenic Speciation
in Food and Juice, Brooks Rand Labs Report.
(Online, 2013) http://www.brooksrand.com/
wp-content/uploads/2014/02/Report+for+B
RL+As+Spec+in+Food+Intercomp+2013.pdf
(accessed June 11, 2014).
(7) Arsenic in Rice: Full Analytical Results from

Rice/Rice Product Sampling, US FDA Final
report. w w w.fda.gov/Food/FoodSafet y/
FoodContaminantsAdulteration/Metals/
ucm319916.htm (accessed June 11, 2014).
(8) Consumer Reports Magazine, Arsenic in your

food: Our findings show a real need for federal
standards for this toxin, http://www.consumerreports.org/cro/arsenic1112.htm (accessed
June 11, 2014).
(9) J. Creswell, A. Carter, V.L. Engel, J.A. Metz, and

C.A. Davies, Water Air Soil Pollut. 226, 128
(2015) DOI 10.1007/s11270-015-2313-x.
Michelle L. Briscoe is the President/

CEO of Brooks Rand Labs in Seattle,
Washington. Tamas M. Ugrai is a
metals research chemist at Brooks Rand
Labs. Annie T. Carter is the VP of
Operations at Brooks Rand Labs. Joel
Creswell is the Director of Research and
Development at Brooks Rand Instruments.
Direct correspondence to:
michelle@brooksrand.com

Aust. J. Chem. 57, 957966 (2004).
ES606665_Spec0515_061.pgs 04.27.2015 23:49
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May 2015
Pro duc t s & r e s ou rc e s

Benchtop EDXRF analyzer
Syringe-based valve system for ICP
The NEX AC Quant EZ

high-resolution benchtop
energy dispersive
X-ray fluorescence
(EDXRF) elemental
analyzer from Applied
Rigaku Technologies
is designed for heavy
industrial use. According
to the company, the
analyzer can provide elemental measurements with matrices ranging
from homogeneous liquids of any viscosity to solids, thin films, alloys,
slurries, powders, and pastes.
Applied Rigaku Technologies, Inc., Austin, TX; www.rigakuedxrf.com
The Assist-CM automation

accessory for ICP from Glass
Expansion uses multiple syringe
drives and a multiport switching
valve. According to the
company the system provides
automatic dilutions up to 100,
and an integral control module
incorporates all software and
firmware to facilitate installation
and operation.
Raman microscopy reaction chamber
Compact UV spectrometer
Harricks high-temperature
reaction chamber for Raman
microscopy is designed
with a cell that has a single
horizontal window and a low
profile for compatibility with
Raman instrumentation.
According to the company,
the chamber allows
environments with
temperatures up to 910 C
and with pressures ranging from 10 -6 to 2200 Torr.
Compact UV spectrometers
from Mightex are designed with
a 3648-pixel charge-coupled
device array and a 100-mm
Czerny-Turner optical platform.
According to the company, the
spectrometers cover a range of
200400 nm and can achieve
a resolution of 0.15 nm with
interchangeable entrance slit sizes
ranging from 5 m to 200 m.
Glass Expansion,
Pocasset, MA;
www.geicp.com
Harrick Scientific Products, Inc.,
Mightex,
Pleasanton, CA;
Pleasantville, NY; www.harricksci.com
www.mightex.com
Spectral sensor
Short-path gas cells
The Spark-VIS spectral sensor

from Ocean Optics is designed to
provide full spectral information
in applications in which users
employed RGB photodiode
devices. According to the
company, the sensor uses a
solid-state optical component in
place of diffraction gratings and
detects light in the 380700 nm
range for color, absorbance, and
fluorescence measurements in
educational and industrial environments.
Ocean Optics, Dunedin, FL; www.oceanoptics.com
Stainless steel shortpath gas cells from PIKE

Technologies are designed
with pathlengths of 1,
2, 5, 10, 15, and 20 cm.
to prevent condensation
of specific components,
heated versions of the
short-path metal gas cells
are available for a maximum temperature of 300 C.
Remote spectrometer monitoring
Spectroscopy module
Spectro Analytical Instruments

AMECARE M2M service
is designed to provide
continuous remote monitoring
of select Spectro ICP
spectrometers. According
to the company, the service
provides diagnostic information
transmitted from the
spectrometer to the companys
central M2M server, where
the information is analyzed to identify and flag potential component
maladjustment, degradation, or failure.
Spectro Analytical Instruments, Kleve, Germany; www.spectro.com
The uRaman-X compact

microspectroscopy module from
TechnoSpex is designed for use
in laboratories that require the
flexibility to use existing or varying
combinations of spectrometers or
spectrographs for varying samples.
module can be mounted to
an existing upright microscope
or integrated with a Nikon Ci
microscope.
TechnoSpex, Singapore;
www.technospex.com
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PIKE Technologies,
Madison, WI;
www.piketech.com
ES604461_Spec0515_062.pgs 04.24.2015 02:23
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May 2015
Raman process spectrometer
Packaging analyzer
The HyperFlux PRO Raman

spectrometer from Tornado
Spectral Systems is designed
for real time, remote, and
unattended operation.
spectrometer is configured for
process measurements.
The MB3600-CH80 polyethylene

terephthalate (PET) packaging
analyzer from ABB Analytical is
designed for FT-IR analysis of PET
containers such as jars, bottles,
and preforms. According to the
company, the analyzer is suitable
for use in R&D centers, QA and
QC laboratories, and production
lines of companies performing a
large number of daily measurements of containers key characteristics. ABB Measurements & Analytics,
Quebec, QC, Canada; www.abb.com/analytical
Tornado Spectral
Systems, Inc.,
Toronto, Canada;
www.tornado-spectral.com
XRF kit
Raman spectrometer
Ampteks XRF kit is designed to

help users perform elemental
analysis via X-ray fluorescence (XRF). According to the
company, the kit includes the
companys X-123 complete
spectrometer with FAST SDD,
SDD, or Si-PIN detector; miniX USB-controlled X-ray tube;
XRF-FP QA software; sample
enclosure; and test sample.
The AvaRaman Supreme Raman

spectrometer from Avantes is
designed for fast and easy measuring. According to the company, various probes are available for use with the miniature
Raman spectroscopy system.
Avantes, Inc.,
Broomfield, CO;
www.avantes.com
Amptek Inc.,
Bedford, MA;
www.amptek.com
Confocal Raman module
Handheld Raman analyzer
The Swift v2 confocal

Raman imaging module
from Horiba Scientific is
designed to obtain micrometer-scale images with
samples such as nanomaterials, polymers, geological
sections, pharmaceutical
tablets, and biological cells.
the module is available for
use with its XploRA PLUS Raman microscope and LabRAM Evolution
spectrometer.
Metrohms Mira handheld Raman

analyzer is designed for identification, screening, and confirmation
of measurements through a blend
of optical sampling configurations.
According to the company, users
can perform Raman analyses by
using preassembled industryspecific libraries of compounds, by
measuring and storing user-specific
samples for later analysis, or by
using a combination of both.
Metrohm USA, Riverview, FL;
www.metrohmusa.com
Horiba Scientific,
Edison, NJ; www.horiba.com
Microwave digestion
ULF Raman filters
Milestones UltraWAVE microwave digestion system uses

the companys single reaction
chamber technology for use
in metals digestions. According to the company, the system uses a single pressurized
vessel for all samples, allowing for simultaneous digestion of up to 22 samples.
The system reportedly can
accommodate a maximum
temperature of 300 C and pressure of 199 bar.
Milestone, Inc., Shelton, CT; www.milestonesci.com/ultrawave
BragGrate Raman filters from

OptiGrate are designed to
enable access to Stokes and
anti-Stokes Raman bands
in the ultralow terahertz
frequency range down to 5
cm-1. According to the company, laser line cleaning and
light rejection notch filters
are provided, and the filter
production line is extended to cover many standard and custom laser
wavelengths from 405 nm to 1550 nm.
OptiGrate, Oviedo, FL;
www.optigrate.com
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ES604460_Spec0515_063.pgs 04.24.2015 02:23
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May 2015
Flame atomic absorption spectrometer
Liquid flow cells
PerkinElmers PinAAcle 500

fully integrated, flame-only
atomic absorption (AA) spectrometer is designed with a
touchscreen interface that
operates via its Syngistix Touch
or Syngistix for AA software.
spectrometer can be coupled
with the companys Fast Flame
sample automation accessory.
Super-Sealed liquid flow cells

from Spectral Systems are
designed to provide leak-free
operation. According to the
company, the flow cells are
designed and manufactured for
continuous-flow infrared transmission sampling applications.
Spectral Systems LLC,

Hopewell Junction, NY;
www.spectral-systems.com
PerkinElmer, Inc.,
Waltham, MA;
www.perkinelmer.com/PinAAcle500
ICP-OES system
LCMS-MS system
Teledyne Leeman Labs Prodigy7

ICP-OES system combines a
solid-state detector with a highdispersion echelle spectrometer.
instrument provides wavelength
coverage from 135 nm to 1100
nm (with halogen detector
option), 500-mm low stray light
optics, and a full spectral access feature that captures the entire wavelength spectrum in a single reading.
Thermo Fisher Scientifics Q Exactive Focus LCMS-MS system

is designed for laboratories performing food and environmental
testing clinical research, forensic
toxicology, pharmaceutical and
biopharmaceutical measurements, and other applied analyses. According to the company,
the orbital ion trapbased instrument delivers up to 70,000 resolution at m/z 200, and a scan speed of up to 12 Hz.
Teledyne Leeman Labs,

Hudson, NH;
www.teledyneleemanlabs.com
Thermo Fisher Scientific,
Handheld Raman spectrometer
Miniature X-ray source
The Bravo handheld Raman

spectrometer from Bruker is
designed with fluorescence
mitigation sequentially shifted
excitation. According to the
company, the spectrometer
has Duo Laser excitation with
two wavelengths, an intuitive
touchscreen graphical user
interface, and automated
wavenumber calibration.
Moxteks 12 W miniature X-ray

source is designed with a higher
voltage and higher emission current than the companys present
miniature X-ray sources. According to the company, the source
operates at high voltages up to
60 kV, low voltages of 4 kV, and
emission currents up to 1.0 mA.
Bruker Corporation,
San Jose, CA;

www.thermofisher.com/qefocus
Moxtek, Inc.,
Orem, UT;
www.moxtek.com
Billerica MA;
www.bruker.com/BRAVO
Handheld LIBS analyzers
FT-IR wavelength references
The Z-500 and Z-100 laserinduced breakdown spectroscopy (LIBS) analyzers from
SciAps are designed with a
class 1M pulsed laser (4 mJ/
pulse) and a high-resolution,
wide-range spectrometer.
analyzers Android-based operating system provides an intuitive, app-driven platform. Apps available for the instruments include
Alloy Analysis, Geochem, Empirical, and ProfileBuilder.
Polystyrene film references from

Starna reportedly are produced within
the scope of the companys ISO
Guide 34 accreditation and are certified under ISO/IEC 17025, with full
traceability to a NIST standard reference material (SRM 1921b). According
to the company, the references are
presented as card-mounted films in
the conventional industry pattern and
slip into the standard sample holders
of all FT-IR instruments.
SciAps,
Starna Scientific Ltd.,
Woburn, MA;
www.sciaps.com
Hainault, UK;
www.starnascientific.com
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May 2015
Calendar of Events
May 2015
1721 Fifth International Congress on

Operando Spectroscopy (Operando V)
Deauville, France
www.operando5.org/osc/5th
1821 13th Pharmaceutical Powder X-ray

Diffraction Symposium (PPXRD-13)
Bad Herrenalb, Germany
www.icdd.com/ppxrd/
1922 The 6th Asia-Pacific Winter

Conference on Plasma Spectrochemistry
(2015 APWC)
Xizmen, China
apwc2015.xmu.edu.cn
2223 Symposium on
Molecular Spectroscopy
Fukuoka, Japan
bunshi.c.u-tokyo.ac.jp/e-index.html
31 May4 June 63rd ASMS Conference

on Mass Spectrometry and Allied
Topics
St. Louis, MO
www.asms.org/conferences/annual-conference/annual-conference-homepage
June 2015
711 OSA Topical Meeting:
Imaging and Applied Optics
Arlington, VA
www.osa.org/en-us/meetings/optics_
and_photonics_congresses/imaging_and_
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1214 2015 International Conference

on Analytical Chemistry (CAC 2015)
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1518 2015 BIO International Convention

Philadelphia, PA
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OptoElectronics Meetings (POEM 2015)
Wuhan, China
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2125 Conference on Lasers and ElectroOptics European Quantum Electronics

Conference (CLEO/Europe EQEC 2015)
Munich, Germany
www.cleoeurope.org
2126 International Conference on

Time-Resolved Vibrational Spectroscopy
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Champaign-Urbana, IL
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27 June1 July OSA Topical Meeting:

Advanced Photonics
Boston, MA
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and_photonics_congresses/advanced_
photonics/
28 June1 July 27th International

Symposium on Chirality (Chirality
2015)
Boston, MA
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28 June3 July 27th International

Conference on Photochemistry
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Jeju Island, Korea
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28 June3 July 22nd International

Conference on Laser Spectroscopy
(ICOLS 2015)
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