Laboratoire Interdisciplinaire de Spectroscopie Electronique (LISE), Facultés Universitaires Notre-Dame de la Paix, University of Namur, 61 rue de Bruxelles, B-5000 Namur, Belgium
LGC Limited, Queens Road, Teddington, Middlesex TW11 OLY, UK. E-mail: [email protected]
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
School of Pharmacy and Centre for Surface Chemical Analysis,
aDepartment of Archaeology, School of Humanities, University of Nottingham, University Park, Nottingham NG7 2RD, UK
*Correspondence to: Frank Rutten, School of Pharmacy, University of Nottingham University Park, Nottingham NG7 2RD, UK. E-mail: [email protected]
aGOS - Gesellschaft zur Förderung angewandter Optik, Optoelektronik, Quantenelektronik und Spektroskopie eV, Rudower Chaussee 29, 12489 Berlin, Germany. E-mail: [email protected]
bISAS–Institute for Analytical Sciences, Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin, Germany
Antonella Rossi,a,b Bernhard Elsenera and Nicholas D. Spencerb aDepartment of Inorganic and Analytical Chemistry, University of Cagliari, Campus of Monserrato, 09100 Cagliari, Italy
Trilinear fluorescence spectroscopy is emerging as one of the most powerful techniques to study chemical equilibria, monitor chemical reactions and to analyse test samples. But what is trilinear fluorescence spectroscopy?
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
School of Biological Sciences, University of Aberdeen, Cruickshank Building, St Machar Drive, Aberdeen, AB24 3UU, Scotland
TeraView Limited, 302/304 Cambridge Science Park, Milton Road, Cambridge, CB4 0WG, UK. E-mail: [email protected]
Department of Chemistry, University of Oxford, Chemistry Research Laboratory, Mansfield Road, Oxford, OX1 3TA, UK
Chemistry Department, The University of Liverpool, PO Box 147, Liverpool L69 3BX, UK
aBiological Monitoring, Health and Safety Laboratory, Broad Lane, Sheffield, S3 7HQ, UK
bThermo Electron Corporation, Ion Path, Road Three, Winsford, Cheshire, CW7 3BX, UK
Axsun Technologies, Inc., 1 Fortune Drive, Billerica, MA 01821, USA
HD Science Limited, 16 Petworth Avenue, Toton, Nottingham NG9 6JF, UK
In recent years, the newly-developed soft ionisation techniques together with the possibility to measure masses by high-resolution mass analysers with high transmission and with a broad mass-to-charge range have given mass spec-trometry the opportunity to add complementary information to the protein structural biology community.
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
Departamento de Ingeniería Química Industrial y del Medio Ambiente, E.T.S.I. Industriales, Universidad Politécnica de Madrid, José Gutiérrez Abascal 2, 28006 Madrid, Spain
The goal of building a multivariate calibration model is to predict a chemical or physical property from a set of predictor variables, e.g. analyte concentration or octane number from a near infrared (NIR) spectrum. A good multivariate calibration model should be able to replace the laborious, possibly imprecise reference method. The quality of a model therefore primarily depends on its predictive ability. Other properties such as interpretability of the model coefficients might also be of interest, but here the focus is on the problem of quantifying the predictive ability.
LADIR-UMR 7075 CNRS & Université P. & M. Curie, 2 rue Henry Dunant, 94320 Thiais, France