Articles
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.
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.
This article focusses on the application of near infrared (NIR) spectroscopy as a potential substitute to the sensory evaluation of tea quality.
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.
This column is about the most basic of pre-treatments, which has been used in spectroscopy well before the word "Chemometrics" was invented.
Kevin M. Smith
Molecular Spectroscopy Facility, Space Science and Technology Department, CCLRC Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX11 0QX, United Kingdom
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.
Andreas Richter
Institute of Environmental Physics, University of Bremen, Bremen, Germany. E-mail: [email protected]
Erik Skibsted
Novo Nordisk, CMC Supply, Analytical Development, Denmark. E-mail: [email protected]
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]
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
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]
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.
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
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.
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
A.M.C. Davies
Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK
Richard A. Crocombe
Axsun Technologies, Inc., 1 Fortune Drive, Billerica, MA 01821, USA
A.M.C. Davies
Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK
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
