2009 Comprehensive Analytical Chemistry V4

SUBJECT INDEX
Aerosols, 16771 multivariate methods, 979

future trends, 187 Smart Templates, 99100
identification procedures, 1846 Chemometrics, 1078, 164
particle phase analysis, 17582 classification, 11618
sources of, 1701 computational considerations,
Air, 16771 121
future trends, 187 data mining, 11821
identification procedures, 1845 deconvolution, 11115
in situ analyses, 1824 feature selection, 11921
sources and fate of organic peak finding, 10911
compounds, 1701 retention calculation and prediction,
volatile organic compound analysis, 1089
1725 separation optimization, 109
See also Aerosols Chiral compounds analysis, 20410
Allergens, 2024 pollutants, 2747
Analysis of variance (ANOVA), 103, Chlorfenvinphos, 270
119 Chlorpyrifos, 10
Analytical Data Interchange (ANDI) ChromaTOF, 120
standards, 81 Chromatographic response
Analytical Information Markup parameters, 5264
Language (AnIML), 81 estimation of retention parameters,
Arabica coffee beans, 21617, 2336 5762
Aromatic organohalogenated holdup time, 623
pollutants, 24459 peak width, 634
Atmosphere, See Air retention time, 527
Atomic emission detector (AED), 368 Chromatographic structure, 11, 51,
Autocovariance functions (ACVF), 109 714
Cod liver oil, 217, 225, 2268, 229
Baseline correction, 902 Coding, 801
Beef aroma, 2367 Coffee beans, 21617, 2336
Blob detection, 925 Colorization, 824
Bubble plot, 185 Colour plot, 51
Column combinations, 206, 43
Carbazoles, 161 GC column dimensions, 234
Chemical identification, 95100 optimisation, 24
air and aerosol analyses, 1846 orthogonality principle, 203
by retention time, 957 stationary phases, 246
299
300 Subject Index
Complex samples, 124 flame-ionization detector (FID), 36,

Comprehensive, 51 161
Comprehensive three-dimensional mass spectrometer (MS), 3843
(3D) systems, 125 Di-naphthenes, 151
additional dimensions prior to Diesel, 92, 11415, 157, 158, 159, 161
GCGC, 1356 See also Petrochemicals
analysis time, 1269 Digitization, 801
coarse prefractionation methods, 4,6-Dimethyl-dibenzothiophene, 161
1367 Dimethyltetrabromobisphenol-A
hardware solutions, 1335 (Me-TBBP-A), 2579
LC dimensions, 13744 Direct thermal desorption (DTD)
operational approaches, 12933 system, 1759
separations in space and time, 1256 Dissolved inorganic carbon (DIC), 158
Comprehensive two-dimensional Dolphin blubber, 259, 260
chromatography, 813, 15, 51, Dual-stage liquid CO2 cryogenic
1235 modulator, 301
Computer Language for Identifying
Chemicals (CLIC), 99 Edible oils, 142
Cosmetics, 2024 See also Olive oil
Crude oil, 157, 158 Egyptian geranium essential oil, 199
See also Petrochemicals Electron-capture detector (ECD), 36,
Cryogenic modulators, 2934 110
environmental applications, 245,
Data acquisition, 13, 7981 249, 2569, 2613, 264, 276, 277
digitization and coding, 801 Electron ionisation (EI), 423
file formats, 81 Elongated clusters, 72, 74
modulation, 7980 Enantiomeric composition, See Chiral
sampling, 7980 compounds analysis
Data processing, 8995 Environmental samples, 2434
baseline correction, 902 group-type analysis, 2635
peak detection, 925 See also Pollutants
phase correction, 8990 Essential oils, 18990
Data visualization, 13, 78, 829, 101 chiral compounds analysis, 20510
flicker visualization, 1012 Egyptian geranium, 199, 201
graphical overlays and annotations, future trends, 21011
879 lavender, 73, 197, 2057
image visualizations, 825 lemon, 196
one-dimensional visualizations, 86 peppermint, 2057
text and tabular visualizations, use of retention indices, 2002
867 vetiver, 195
three-dimensional visualizations, See also Plant extracts
856
Databases, 104 Fatty acid methyl esters (FAMEs), 125,
Deconvolution, 110, 11115 1424, 217, 2237, 238
Detectors, 3643, 44 Fatty acids, 21823
element selective detectors, 368 Feature selection, 109, 11921
Subject Index 301
File formats, 81 Hexabromocyclododecane (HBDE), 257

Fingerprinting, 1034, 125 Hexyl cinnamaldehyde, 204
Fisher ratio (f-ratio), 11920 High-resolution mass spectrometry
Flame-ionization detector (FID), 36 (HRMS), 43
air and aerosol analysis, 172, 175, environmental applications, 252
182 High-resolution time-of-flight mass
environmental applications, 2459, spectrometry (HRToF MS),
269, 2723 17680
food constituent analysis, 2256 plant extract analysis, 1979
petrochemical analysis, 161 Holdup time, 623
plant extract analysis, 1904 Honey, 237
Flame retardants, 2579 Hydrodesulfurization (HDS) feed,
Flavours, 2307 161, 163
Flicker visualization, 102
Fly ash, 256 Identification, See Chemical
Food constituents, 21540 identification
food flavour applications, 2307 Image visualizations, 825
lipids, 21830 colorization, 824
Fragrances, 190 navigation, 84
allergens, 2024 qualitative analysis, 845
future trends, 21011 rasterization, 82
use of retention indices, 2002 Indoles, 161
See also Essential oils Informational similarity (IS), 68
Fungicides, 269 Information systems, 104
Fuzzy differences, 102 Intermediate collection of fractions,
130
Gasoline, 98, 161, 162 Isotope ratio mass spectrometry
See also Petrochemicals (IRMS), 207
GCGC, See Two-dimensional gas Isovolatility curves, 567
chromatography
Generalized rank annihilation Lanolin, 22930, 231
(GRAM) method, 11113, 117 Lavender essential oil, 73, 197, 2057
Geranium essential oil, 199 LCGCGC, See Comprehensive
Globular clusters, 72 three-dimensional (3D) systems
Gradient-Based Value Mapping Lemon essential oil, 196
(GBVM), 834 Linear retention index (LRI), 545, 96
Graphical overlays, 879 Lipids, food, 21830
Group separation, 1312 See also Fatty acid methyl esters
petrochemicals, 1518 (FAMEs)
Group-type analysis, 1245, 136 Liquid chromatography (LC):
air and aerosols, 185 food analysis, 2389
environmental applications, 2635 silver phase LC (AgLC), 1424
See also Comprehensive three-
Heating modulators, 279 dimensional (3D) systems
Heptadecanoic acid, 269 Longitudinal Modulated Cryogenic
Herring oil, 223, 224 System (LMCS), 29, 30
302 Subject Index
Ma Huang, 209 Multi-way partial least squares

Mass-spectrometric (MS) detector, 10, (N-PLS), 11819
3843, 110 Multi-way principal components
high-resolution mass spectrometer analysis (MPCA), 118
(HRMS), 43 Multiplex gas chromatography, 27
plant extract analysis, 1904, 1979
quadrupole mass spectrometer National Institute of Standards and
(qMS), 423, 17680, 199 Technology (NIST), 97
rapid-scanning quadruple MS Navigation, 84
instruments, 11 Negative chemical ionisation (NCI),
See also Time-of-flight mass 423
spectrometric (ToF MS) Nitrogen-phosphorus detector
detector (NPD), 38
Mass-to-charge ratio, 99 air and aerosol analysis, 17680
Mathematical resolution, 11115 environmental applications, 269
Maximum residue levels (MRLs), 245 food constituent analysis, 236
Melaleuca alternifolia, 2089 Nitrogen-specific chemiluminescence
Menhaden oil, 2245 detectors (NCDs), 38, 161
1uMethyl-1,2ubipyrroles (MBPs), 259 Noise, 124
Micro electron-capture detector Nomenclature, 502
(ECD), 9 Nonaromatic organohalogenated
Micropollutants, See Pollutants pollutants, 25963
Mineral oil, 13942 Nonhalogenated pollutants,
Modulation, 9, 62, 7980 26673
Modulation ratio (MR), 207 pesticides, 26672
Modulator block, 18 Nonylphenolpolyethoxilates, 273
Modulators, 9, 1619, 2635, 44
thermal, 2734 Oil spill, 102, 103
valve-based, 345 Olive oil, 21, 22, 223, 2303
Mono-naphthenes, 151 One-dimensional (1D) gas
Multi-dataset analyses, 1004 chromatography, 34, 5
databases and information systems, One-dimensional visualizations, 86
104 Organohalogenated pollutants,
sample comparison, classification 24465
and recognition, 1013 aromatic, 24459
Multidimensional gas nonaromatic, 25963
chromatography (MDGC), 4, Orthogonality, 203, 6771, 745
58 measurement of, 6871
chiral compound analysis, 2057, Oversegmentation, 94
274
environmental applications, 274 Paraffins, 151
See also Comprehensive three- Parallel factor analysis (PARAFAC),
dimensional (3D) systems; 11115, 117, 120
Two-dimensional gas Partial least squares (PLS), 118
chromatography (GCGC) multi-way extension (N-PLS),
Multidimensionality, 45, 51 11819
Subject Index 303
Particulate matter (PM), 1689 Polycyclic aromatic hydrocarbons

analyses, 17582 (PAHs), 17680, 2723, 278
fates of, 171 Practical peak capacity, 69
sources of, 1701 Prefractionation, 1367
PBDEs, 2579, 265 Principal component analysis (PCA),
Peak capacity, 657, 69, 1268 103, 11618, 121
practical, 69 multi-way (MPCA), 118
Peak detection, 925, 10911 Principal-component discriminant
Peak width, 634 analysis (PCDA), 104
Pelargonium graveolens, 199, 201 Principal component regression
Pentachlorophenol, 269 (PCR), 118
Pepper, 236 Profiling, 125
Peppermint essential oil, 2057 Pseudocolorization, 83
Percent synentropy (PS), 69 Pyrazines, 235
Perfumes, See Fragrances
Pesticides, 26672, 278 Quad-jet dual-stage modulator, 314
Petrochemicals, 149 Quadrupole mass spectrometer
group-type separation, 1518 (qMS), 423, 199
overview of studies, 1546 air and aerosol analysis, 17680
PIONA analyses, 1645 environmental applications, 2569,
quantification, 1614 272, 273
sample dimensionality, 1501 food constituent analysis, 2302,
target analysis, 161 235
Phase correction, 8990 fragrance analysis, 204
PIONA analyses, 1645 Qualitative analysis, 845
Plant extracts: Quantification, 1002
chromatography applications, 1907 petrochemicals, 1614
mass spectrometric detection, 1979
See also Essential oils Rapid-scanning quadruple mass
Pogostemon cablin Benth, 197 spectrometric instruments, 11
Pollutants, 24477 See also Quadrupole mass
aromatic organohalogenated spectrometer (qMS)
pollutants, 24459 Rasterization, 82
chiral pollutant analysis, 2747 Real-time operation, 1302
environmental samples, 2434 Reformulyzer, 164, 165
group-type analysis, 2635 Resolution, 645
nonaromatic organohalogenated Response, 52
pollutants, 25963 See also Chromatographic response
nonhalogenated pollutants, 26673 parameters
Polychlorinated biphenyls (PCBs), 6, Retention index (RI), 534
7, 12, 21, 245, 24957, 2747 determination of, 557
Polychlorinated dibenzo-p-dioxins use in essential oil and fragrance
and furans (PCDD/Fs), 43, 245, analysis, 2002
2507, 277 Retention time, 527
Polychlorinated n-alkanes (PCAs), calculation and prediction, 1089
2623, 265, 277 chemical identification by, 957
304 Subject Index
dependence on chromatographic Sulphur chemiluminescence detector

conditions, 5962 (SCD), 10, 368, 161
estimation of retention parameters, Sweeper modulator, 289, 161
5762 Synentropy, 69
retention-time windows, 967 System dimensionality, 124
Reversed selectivities, 141
Reverse-type column combinations, 1, Tabular text visualizations, 867
213, 157 Target compound analysis, 124
Roast beef aroma, 2367 petrochemicals, 161
Tea tree, 2089
Sample classification, 100, 1024, Template matching, 967
116 Smart Templates, 99100
Sample comparison, 100, 102 Terpenoids, 204
Sample dimensionality, 124, 150 Tetrabromobisphenol-A (TBBP-A),
apparent, 150 2579
petrochemicals, 1501 Text visualizations, 867
required, 150 Thermal desorption modulation
See also Multidimensionality (TDM), 279
Sample prefractionation, 1367 Thermal modulators, 2734
Sample query, 100 cryogenic modulators, 2934
Sample recognition, 100 heating modulators, 279
Sampling, 7980 Thin-layer chromatography (TLC), 126
Secondary organic aerosol (SOA), Three-dimensional visualizations,
1689 856
Selectivity, 124 See also Comprehensive three-
Semivolatile organic compounds dimensional (3D) systems
(SVOCs), 168, 171 Time-of-flight mass spectrometric
Separation: (ToF MS) detector, 10, 3841
in space, 126 air and aerosol analysis, 170, 1756,
in time, 126 1802, 185, 187
ordered, 1501 environmental applications, 2526,
Separation efficiency parameters, 2613, 2702, 2778
6474 food constituent analysis, 22830,
chromatographic structure, 714 2337
orthogonality, 6771 high-resolution (HRToF MS),
peak capacity, 657 17680
resolution, 645 plant extract analysis, 1979, 201
Signal ratio method, 1201 Total intensity count (TIC), 82
Signal-to-noise (S/N) ratio, 113 Toxaphene, 25961, 265, 274, 277
Silver phase LC (AgLC), 1424 Triacylglycerides (TAGs), 141, 1424,
Smart Templates, 99100 238
Split-flow GCGC, 2268 Two-dimensional gas
Stationary phases, 246 chromatography (GCGC), 58
Stop-flow operation, 130, 132 comprehensive two-dimensional
Strawberry, 236 chromatography, 813, 15, 51,
Structured chromatograms, 11, 21 1235
Subject Index 305
split-flow GCGC, 2268 Visualization, See Data visualization

use in 3D systems, 1259 Volatile organic compounds (VOCs),
1678
Undersegmentation, 94 fates of, 171
oxygenated (oVOCs), 176
Valve-based modulators, sampling methods, 1715
345 sources of, 1701
Vanilla, 233, 234
Variance, 11718 Wine, 237
Vetiver essential oil, 195 Wrap-around, 11, 18, 234, 51

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SUBJECT INDEX

Aerosols, 16771 multivariate methods, 979

Complex samples, 124 flame-ionization detector (FID), 36,

File formats, 81 Hexabromocyclododecane (HBDE), 257

Ma Huang, 209 Multi-way partial least squares

Particulate matter (PM), 1689 Polycyclic aromatic hydrocarbons

dependence on chromatographic Sulphur chemiluminescence detector

split-flow GCGC, 2268 Visualization, See Data visualization

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