Analytica Chimica Acta 2003: Vol 490 Table of Contents

3 Pages·2003·0.71 MB·English

ANALYTICA
oie? CHIMICA
tte
ACTA
ELSEVIER Volume 490 issues 1-2, 25 August 2003
www.elsevier.com/locate/aca
CONTENTS
(Full texts are incorporated in CJELSEVIER, a file in the Chemical Journals Online database available on STN International;
Abstracted, indexed in: Aluminium Abstracts; Anal. Abstr; Biol. Abstr; BIOSIS; Chem. Abstr; Curr. Contents Phys. Chem. Earth Sci.;
Engineered Materials Abstracts; Excerpta Medica; Index Med.; Life Sci; Mass Spectrum. Bull.; Material Business Alerts; Metals
Abstracts; Sci. Citation Index)
Special Issue
Papers presented at the 8th International Conference on Chemometrics and Analytical Chemistry, Seattle, WA, USA,
22-26 September 2002
Editorial
CAC 2002
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NMR-based metabonomic toxicity classification: hierarchical cluster analysis and k-nearest-neighbour approaches
O. Beckonert, M. E. Bollard, T.M.D. Ebbels, H.C. Keun, H. Antti, E. Holmes, J.C. Lindon and J.K. Nicholson (London, UK) .....
Evaluation of synthetic liquid chromatography—diode array detection—mass spectrometry data for the determination
of enzyme kinetics
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Selection of quasi-optimal inputs in chemometrics modeling by artificial neural network analysis
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Mutual peak matching in a series of HPLC—DAD mixture analyses
A. Bogomolov (Moscow, Russia) and M. McBrien (Toronto, Canada) ....00.. c.c. .c.ee .et.t t.ee ns
Real-time two-dimensional wavelet compression and its application to real-time modeling of ion mobility data
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Growing neural networks for a multivariate calibration and variable selection of time-resolved measurements
F. Dieterle, S. Busche and G. Gauglitz (Tuebingen, Germany)... ......... ccc cc ccc cece cece cece ees e ee ecsccceseenens
Rare-earth glass reference materials for near-infrared spectrometry: sources of x-axis location variability
D.L. Duewer, S.J. Choquette, L. O’Neal and J.J. Filliben (Gaithersburg, MD, USA) ......0.. .cc.c. .c.ee. .ee e
Analyses of three-way data from equilibrium and kinetic investigations
R. Dyson, M. Maeder, Y.-M. Neuhold and G. Puxty (Callaghan, Australia) ... 0.0.0.0... ccc ccc eee eee eee
Toxicity classification from metabonomic data using a density superposition approach: ‘CLOUDS’
T. Ebbels, H. Keun, O. Beckonert, H. Antti, M. Bollard, E. Holmes, J. Lindon and J. Nicholson (London, UK) ................ 109
Factor analytical approaches for evaluating groundwater trace element chemistry data
|.M. Farnham (Las Vegas, NV, USA), K.H. Johannesson (ArlingtonT,X , USA), A.K. Singh, V.F. Hodge (Las Vegas, NV, USA)
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Estimation of trace vapor concentration-pathlength in plumes for remote sensing applications from hyperspectral images
N.B. Gallagher, B.M. Wise (MansonW,A , USA) and D.M. Sheen (Richland,WA, USA) ........ 2.0.0... ccc eens 139
Data mining of the relationship between volatile organic components and transient high ozone formation
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Gy sampling theory in environmental studies. 2. Subsampling error estimates
R.W. Gerlach, J.M. Nocerino (Las Vegas, NV, USA), C.A. Ramsey (Fort Collins, CO, USA) and B.C. Venner (Denver, CO, USA) 159
Classical least squares transformations of sensor array pattern vectors into vapor descriptors. Simulation of arrays
of polymer-coated surface acoustic wave sensors with mass-plus-volume transduction mechanisms
JW. Grate (RichlandW,A , USA), B.M. Wise and N.B. Gallagher (Manson,WA, USA) ......0.0 c.cc0 c.e.e0 .e0e e0e e 169
Viil Contents
Multiresolution analysis for quantification of optical properties in scattering media using pulsed photon time-of-flight
measurements
Re re ere en ne ee eee re re ee eer 185
Parallel column liquid chromatography with a single multi-wavelength absorbance detector for enhanced selectivity
using chemometric analysis
Ce Groes, Bil PrORON OG FLEE. Gernevee (BOUIG, WAL UGA) og oc icc ccc celeste ccc cee e ce ateencesoeeess 197
Hybrid genetic algorithm—tabu search approach for optimising multilayer optical coatings
J.A. Hageman, R. Wehrens (NijmegenT,h e Netherlands), H.A. van Sprang (EindhovenT,h e Netherlands) and
es i Su Ah he dA hemes os Pe bd weed bs Sade KS SWLAN TREES COR eR Neb AT oR Raw Os 211
High-speed gas chromatographic separations with diaphragm valve-based injection and chemometric analysis as a gas
chromatographic “sensor”
J.L. Hope, K.J. Johnson, M.A. Cavelti, B.J. Prazen (SeattleW,A , USA), JW. Grate (RichlandW,A , USA) and R.E. Synovec
a ih Re oS eRe eet Ded be Fi dy avin GEA dM OVA E ASE ON tome R00 sh) o 4 Hees 223
Assessment of techniques for DOSY NMR data processing
R. Huo, R.Wehrens (NijmegenT,h e Netherlands), J. van Duynhoven (ViaardingenT,n e Netherlands) and
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Multivariate resolution of NMR labile signals by means of hard- and soft-modelling methods
J. Jaumot, M.V ives, R. Gargallo and R.T auler (Barcelona, Spain) ....0.. cc.c c.cc. c.ece. ee.e te.en e.ee eens 253
Improved analysis of multivariate data by variable stability scaling: application to NUR-based metabolic profiling
H.C. Keun, T.M.D. Ebbels, H. Antti, M.E. Bollard, O. Beckonert, E. Holmes, J.C. Lindon and J.K. Nicholson (London, UK)..... 265
Discarding or downweighting high-noise variables in factor analytic models
P. Paatero (Helsinki, Finland) and PK. Hopke (Potsdam, NY, USA) .....0. .cc ce.ce c.cc c.ece c.ent. cec.e ee.n eee.eee ees 277
Multivariate calibration of spectral data using dual-domain regression analysis
2 a GOR Ee hag hkR alnbe Oo Swe ee biped ved be NE Reed ee beens 291
SpaRef: a clustering algorithm for multispectral images
T.N. Tran, R.Wehrens and L.M.C. Buydens (NijmegenT,h e Netherlands). .......0.00.. cc. cc .ce.c0e. .eee0 e0e e e 303
Spectral similarity versus structural similarity: infrared spectroscopy
Ps,V erran, A. Pariovins Gre VE COTTA (VIGIWIM, AUIQITIR) ccc cece rte ence eer e can eeeeeeeeenens 313
Evaluation of selectivity and robustness of near-infrared glucose measurements based on short-scan Fourier
transform infrared interferograms
M.J.Wabomba, G.W. Small (Athens, OH, USA) and M.A. Arnold (lowa City, IA, USA) ... 2.02.0... 0... ccc eee 325
Cross validation and uncertainty estimates in independent component analysis
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Partial least-squares modeling of continuous nodes in Bayesian networks
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Validation of consensus between proteomic and clinical chemistry datasets by applying a new randomisation F-test for
generalised procrustes analysis
W. Wu, S.L.L. Roberts, J.R. Armitage, P. Tooke, H.C. Cordingley and S.E. Wildsmith (Hertfordshire, UK) .................. 365
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VOL. 490
ISS. 1-2
AUG 25
2003