Informing Spectroscopists for Over 40 Years

Articles

Ultrafast 2D-IR spectroscopy: method and applications

Neil T. Hunt

Since the first experiment was performed nearly a decade ago, ultrafast two-dimensional infrared (2D-IR) spectroscopy has emerged as an exciting non-linear ultrafast laser technique for probing molecular structure and solute–solvent interaction dynamics in a range of systems of chemical and biological relevance.

Article  |  Issue 20/2 (2008)

Back to basics: qualitative analysis, introduction

A.M.C. Davies, Tom Fearn

A.M.C. Davies and Tom Fearn

Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK. E-mail: [email protected]
Department of Statistical Science, University College London, Gower Street, London WC1E 6BT, UK. E-mail: [email protected]

Tony Davies Column  |  Issue 20/2 (2008)

Back to basics: the "final" calibration

A.M.C. Davies, Tom Fearn

The starting point for this column is the last one from last year! In that column TD began what was intended to be a two-part story but has, with this column, become a story in four parts. There were required topics we had not covered and we need to begin this column by completing the discussion of removing multiplicative effects by describing what the two most popular methods do to NIR spectra.

Tony Davies Column  |  Issue 19/6 (2007)

Combined infrared and visible spectroscopic ellipsometry study of thin polymer layers

K. Hinrichs, K. J. Eichhorn

Thin polymer layers on solid substrates are of high technological importance due to their increasing potential for applications in electronics, sensors, nanotechnology and biotechnology. Appropriate characterisation methods are necessary for the design and analysis of devices made using such materials. This review article focuses upon presenting the many analytical possibilities for quantitative evaluation of the optical constants and thickness of polymer layers by combined application of spectroscopic ellipsometry (SE) in the visible (vis) and infrared (IR) spectral range.

Article  |  Issue 19/6 (2007)

Back to basics: removing multiplicative effects (1)

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)

Protein reactions: resolved with tr-FT-IR

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)

Back to basics: spectral pre-treatments, derivatives

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)

High resolution infrared studies at the Rutherford Appleton Laboratory Molecular Spectroscopy Facility: Part 2

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)

NIR evaluation of the quality of tea and its market price

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)

High resolution infrared studies at the Rutherford Appleton Laboratory Molecular Spectroscopy Facility: Part 1

Kevin M. Smith

The author looks at the origins and research at the Molecular Spectroscopy Facility (MSF) at the Rutherford Appleton Laboratory (RAL).

Article  |  Issue 19/1 (2007)

Probing chiral recognition in liquid chromatography by absolute configuration modulation ATR-IR spectroscopy

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)

Differential optical absorption spectroscopy as a tool to measure pollution from space

Andreas Richter

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

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Quantum cascade lasers bring sensitivity and speed to infrared gas sensing

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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Near infrared spectroscopy: the workhorse in the PAT toolbox

Erik Skibsted

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

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Food authentication: has near infrared spectroscopy a role?

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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Simultaneous near infrared spectroscopy and dynamic rheological analysis for process monitoring of reactive polymers

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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Back to basics: applications of principal component analysis

A.M.C. Davies

A.M.C. Davies

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

Tony Davies Column  |  Issue 17/2 (2005)

NIR spectroscopy explores the mysteries of acupuncture

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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Back to basics: the principles of principal component analysis

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)

High-resolution infrared spectroscopy for in situ industrial process monitoring

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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