Chemometrics Bibliography,Part 1

Beebe K.R. and Kowalski B.R. , “An Introduction to Multivariate Calibration and Analysis”, Anal. Chem. 59, 1007A–1017A, (1987).

Sekulic Sonja , “Non-linear Multivariate Calibration Methods in Analytical Chemistry”, Anal. Chem. 65, 835A–845A, (1993).

Mark H. and Workman J. , “Statistics in Spectroscopy”, Spectroscopy, (series), 1986–1993.

Mark H. and Workman J. , “Chemometrics in Spectroscopy”, Spectroscopy, (series), 1993–1994.

Næs T. and Isaksson T. , “The Chemometric Space”, NIP, news (The Newsletter of the International Committee for Near Infrared Spectroscopy), 6 Charlton Mill, Charlton, Chichester, West Sussex PO18 0HY, UK.

Chemometrics and Intelligent Laboratory Systems. Elsevier Science Publishers, Amsterdam, The Netherlands.

Kowalski B.R. , “Chemometrics Critical Review”, Anal. Chem. 52, 112R–122R (1980).

Brown S.D. , “Chemometrics Critical Review”, Anal. Chem. 66, 315R–359R (1994).

NAmICS (The North American Chapter of the International Chemometrics Society), contact David Lee Duewer, NAmICS Membership Secretary, Bldg 222/Chemistry, Room B-156, NIST, Gaithersburg, MD 20899, USA.

FACSS (Federation of Analytical Chemistry and Spectroscopy Societies) offers annual courses in statistics and chemometrics, contact FACSS Office, 198 Thomas Johnson Dr., Suite S-2, Frederick, MD 21702–0405, USA; tel. +1-301-846-4797.

ACS (American Chemical Society), Department of Continuing Education, 1155 Sixteenth St., N.W., Washington, D.C. 20036, USA; tel. +1-202-872-4600.

Malinowski E.R. , and Howery D.G. , Factor Analysis in Chemistry. Wiley-Interscience, New York, 251 pp. (1980).

Miller J.C. and Miller J.N. , Statistics for Analytical Chemistry. John Wiley & Sons, New York, 202 pp. (1984).

Sharaf M.A. Illman D.L. and Kowalski B.R. , Chemometrics. John Wiley & Sons, New York, 332 pp. (1986).

Massart D.L. Vandeginste B.G. Deming S.N. Michotte Y. and Kaufman L. , Chemometrics: A Textbook. Elsevier, New York, 488 pp. (1988).

Martens H. and Næs T. , Multivariate Calibration. John Wiley & Sons, Chichester, UK, 419 pp. (1989).

Mark H. , and Workman J. , Statistics in Spectroscopy. Academic Press, Boston, 313 pp. (1991).

U-POST, The Unscrambler User's Club Newsletter. Camo, Olav Tryggvasonsgt. 24, N-7011 Trondheim, Norway; tel +47–73514966.

The Mathworks Newsletter. The Mathworks, Inc., 24 Prime Park Way, Natick, MA 01760–1500; tel. +1-508-653-1415.

Window on Chemometrics, contact Barnsby Judith , The Royal Society of Chemistry, Thomas Graham House, Science Park, Milton Rd, Cambridge CB4 4WF, UK; tel. +44 (0)1223–420066. (Toll free in US: 1-800-473-9234).

INNS (International Neural Networks Society), 1250 24th Street, NW, Suite 300, Washington, DC 20037, USA; tel. +1-202-466-4667.

A starter list of chemometrics literature (in chronological order).

Sustek J. , “Method for the Choice of Optimal Analytical Positions in Spectrophotometric Analysis of Multicomponent Systems”, Anal. Chemi. 46, 1676–1679 (1974).

Cochran R.N. , and Home F.H. , “Statistically Weighted Principal Component Analysis of Rapid Scanning Wavelength Kinetics Experiments”, Anal. Chem. 49, 1676–1679 (1974).

Metzler D. Harris C.M. Reeves R.L. Lawton W.H. and Maggio M.S. , “Digital Analysis of Electronic Absorption Spectra”, Anal. Chem. 49, 864A–874A (1977).

Antoon M.K. Koenig J.H. and Koenig J.L. , “Least Squares Curve-fitting of Fourier Transform Infrared Spectra with Applications to Polymer Systems”, Appl. Spectrosc. 31, 518–524 (1977).

Antoon M.K. D'Esposito L. and Koenig J.L. , “Factor Analysis Applied to Fourier Transform Infrared Spectra”, Appl. Spectrosc. 33, 351–357 (1979).

Hruschka W.R. and Norris K.H. , “Least-squares Curve Fitting of Near Infrared Spectra Predicts Protein and Moisture Content of Ground Wheat”, Appl. Spectrosc. 36, 261–265 (1982).

Haaland D.M. and Easterling R.G. , “Application of New Least-squares Methods for the Quantitative Infrared Analysis of Multicomponent Samples”, Appl. Spectrosc. 36, 665–672 (1982).

Kisner H.J. Brown C.W. and Kavarnos G.J. , “Simultaneous Determination of Triglycerides, Phospholipids, and Cholesterol Esters by Infrared Spectrometry”, Anal. Chem. 54, 1479–1485 (1982).

Lindberg W. Persson J.A-. and Wold S. , “Partial Least-Squares Method for Spectrofluorimetric Analysis of Mixtures of Humic Acid and Ligninsulfonate”, Anal. Chem. 55, 643–648 (1983).

Frank I.E. Kalivas J.H. and Kowalski B.R. , “Partial Least-Squares Solutions for Multicomponent Analysis”, Anal. Chem. 55, 1800–1804 (1983).

Maris M.A. Brown C.W. and Lavery , “Nonlinear Multicomponent Analysis by Infrared Spectrophotometry”, Anal. Chem. 55, 1694–1703 (1983).

Kisner H.J. Brown C.W. and Kavarnos G.J. , “Multiple Analytical Frequencies and Standards for the Least-Squares Spectrometric Analysis of Serum Lipids”, Anal. Chem. 55, 1703–1707 (1983).

Honigs D.E. Freelin J.M. Hieftje G.M. and Hirschfeld T. , “Near-Infrared Reflectance Analysis by Gauss-Jordan Linear Algebra”, Appl. Spectrosc. 37, 491–497 (1983).

Otto M. and Wegscheider W. , “Spectrophotometric Multicomponent Analysis Applied to Trace Metal Determinations”, Anal. Chem. 57, 63–69 (1985).

Frans S.D. and Harris J.M. , “Selection of Analytical Wavelengths for Multicomponent Spectrophotometric Determinations”, Anal. Chem. 57, 2680–2684 (1985).

Cowe I.A. and McNicol J.W. , “The Use of Principal Components in the Analysis of Near-Infrared Spectra”, Appl. Spectrosc. 39, 257–266 (1985).

Kawata S. Komeda K. Sasaki K. and Minami S. , “Advanced Algorithm for Determining Component Spectra Based on Principal Component Analysis”, Appl. Spectrosc. 39, 610–614 (1985).

Geladi P. and Kowalski B. , “An Example of 2-Block Predictive PL-SR with Simulated Data”, Analytica Chimica Acta 185, 19–32 (1986).

Mark H. , “Comparative Study of Calibration Methods for Near-Infrared Reflectance Analysis Using a Nested Experimental Design”, Anal. Chem. 58, 2814–2819 (1986).

Wold S. Geladi P. Esbensen K. and Ohman J.J. , “Multi-way PCs-And PLS-Analysis”, J. Chemometrics 1, 41–56 (1987).

Haaland D. and Thomas E. , “Partial Least-Squares Methods for Spectral Analysis. 1. Relation to Other Quantitative Calibration Methods and the Extraction of Qualitative Information”, Anal. Chem. 60, 1193–1202 (1988).

Haaland D. and Thomas E. , “Partial Least-Squares Methods for Spectral Analysis. 2. Application to Simulated and Glass Spectral Data”, Anal. Chem. 60, 1202–1208 (1988).

Lorber A. Wangen L.E. and Kowalski B.R. , “A Theoretical Foundation for the PLS Algorithm”, J. Chemometrics 1, 19–31 (1987).