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Articles

A.M.C. Davies, Tom Fearn

The last TD column showed the effect of calculating second derivatives on a set of 100 spectra, which will be the starting point for this column.

Tony Davies Column  |  Issue 19/4 (2007)
Carsten Kötting, Klaus Gerwert

In the post-genome era, the focus of life science is shifting to proteins. Based on the difference between the various states of the protein, time resolved Fourier transform (tr-FT-IR) spectroscopy can selectively detect, with nanosecond resolution, reactions of the amino acids, the ligands and specific water molecules in the active centre of the protein, thereby providing a detailed understanding of the reaction mechanism. Malfunctioning of proteins is the cause of many diseases. Thus, the understanding of structure, function and interaction of proteins at the molecular level is essential for the development of drugs for a rational molecular therapy.

Article  |  Issue 19/3 (2007)
Shou-He Yan

This article focusses on the application of near infrared (NIR) spectroscopy as a potential substitute to the sensory evaluation of tea quality.

Article  |  Issue 19/2 (2007)
Kevin M. Smith

The University of Leicester began an investigation to determine whether useful information on PAN (Peroxyacetyl nitrate) could be obtained from MIPAS data using the MSF absorption cross-sections.

Article  |  Issue 19/2 (2007)
A.M.C. Davies

This column is about the most basic of pre-treatments, which has been used in spectroscopy well before the word "Chemometrics" was invented.

Tony Davies Column  |  Issue 19/2 (2007)
Kevin M. Smith

Kevin M. Smith

Molecular Spectroscopy Facility, Space Science and Technology Department, CCLRC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX11 0QX, United Kingdom

Article  |  Issue 19/1 (2007)
Ronny Wirz, Davide Ferri, Thomas Bürgi, Alfons Baiker

The authors report on an analytical technique based on the combination of attenuated total reflection infrared (ATR-IR) spectroscopy and modulation excitation (ME), which enables the investigation of the interactions leading to separation at the selectand—selector interface.

Article  |  Issue 19/1 (2007)

Andreas Richter

Institute of Environmental Physics, University of Bremen, Bremen, Germany. E-mail: [email protected]

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Erik Skibsted

Novo Nordisk, CMC Supply, Analytical Development, Denmark. E-mail: [email protected]

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Geoffrey Duxbury and Nigel Langford

Scottish Universities Physics Alliance, Department of Physics, John Anderson Building, University of Strathclyde, 107 Rottenrow East, Glasgow G4 0NG, UK. E-mail: [email protected], [email protected]

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Gerard Downey,a* J. Daniel Kellya and Cristina Petisco Rodriguezb

aTeagasc, Ashtown Food Research Centre, Ashtown, Dublin 15, Ireland. E-mail: [email protected]
b Instituto de Recursos Naturales y Agrobiología, CSIC, Apdo 257, 37071 Salamanca, Spain

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S. Benali,a D. Bertrand,b J. Dupuyc and G. Lachenald

aUniversité de Mons Hainaut, Matériaux Polymères et Composites, Place du Parc, 20 ,7000 Mons, Belgium
bENITIAA-INRA, Unité de Sensométrie et Chimiométrie, BP 82225, 44322 Nantes Cedex 03, France. E-mail: [email protected] 

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A.M.C. Davies

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Introduction

In my last column I began a revision of basic chemometrics.1 In this column I will discuss some interpretation of the results produced by principal component analysis (PCA) as part two of this revision programme.

Tony Davies Column  |  Issue 17/2 (2005)

Gerhard Litscher

Biomedical Engineering and Research in Anesthesia and Intensive Care Medicine, Medical University of Graz, Auenbruggerplatz 36, A-8036 Graz, Austria. E-mail: [email protected]; http://litscher.at; http://litscher.info

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A.M.C. Davies, Tom Fearn

PCA is a mathematical method of reorganising information in a data set of samples. It can be used when the set contains information from only a few variables but it becomes more useful when there are large numbers of variables, as in spectroscopic data.

Tony Davies Column  |  Issue 16/6 (2004)

Philip Martina,c and Robert Holdsworthb

aDepartment of Chemical Engineering, UMIST, PO Box 88, Manchester M60 1QD, UK. E-mail: [email protected]
bTDL Sensors Ltd, UVL, 70–72 Sackville Street, Manchester, UK. E-mail: [email protected]
cFrom 1 October 2004, School of Chemical Engineering and Analytical Science, University of Manchester

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A.M.C. Davies

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Tony Davies Column  |  Issue 16/4 (2004)

Richard A. Crocombe

Axsun Technologies, Inc., 1 Fortune Drive, Billerica, MA 01821, USA

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A.M.C. Davies

A.M.C. Davies

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK

Tony Davies Column  |  Issue 16/2 (2004)

Peter Wilhelm,a Boril Chernev,a Peter Pölt,a Gerald Kothleitner,a Klaus-Jochen Eichhorn,b Gisela Pompe,b Nikola Johnerc and Alexander Piryc

aResearch Institute for Electron Microscopy, Graz University of Technology; Steyrergasse 17, A-8010 Graz, Austria. E-mail: [email protected]
bInstitute of Polymer Research Dresden; Hohe Straße 6, D-01069 Dresden, Germany

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