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
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.
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
athe Jenks Partnership, Newhaven House, Junction Road, Alderbury, Salisbury, Wiltshire SP5 3AZ, UK. E-mail: [email protected]
bRomil Ltd, The Source, Convent Drive, Waterbeach, Cambridge CB5 9QT, UK. E-mail: [email protected]
External Professor, University of Glamorgan, UK, c/o Creon Lab Control AG, Europaallee 27–29 50226 Frechen, Germany
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
the Jenks Partnership, Newhaven House, Junction Road, Alderbury, Salisbury,Wiltshire SP5 3AZ, UK. E-mail: [email protected]
Norwich Near Infrared Consultancy, 75 Intwood Road, Cringleford, Norwich NR4 6AA, UK
This article looks at the advantages of synchrotron radiation for infrared microspectroscopy, selected applications and its future potential.
Space Research Centre, Department of Physics and Astronomy, University of Leicester, Leicester LE1 7RH, UK. E-mail: [email protected]
Department of Applied Physics, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven, The Netherlands. E-mail address [email protected]
aExternal Professor, University of Glamorgan, UK. c/o Creon Lab Control AG, Europaallee 27-29 50226 Frechen, Germany
bISAS, institute for Spectrochemistry and Applied Spectroscopy, Dortmund, Germany
cCreon Lab Control AG, Europaallee 27-29 50226 Frechen, Germany
the Jenks Partnership, Newhaven House, Junction Road, Alderbury,Wiltshire SP5 3AZ, UK. E-mail: [email protected]
Laboratoire d’Analyse des Matériaux, Centre de Recherche Public - Gabriel Lippmann, 162A, av. de la Faïencerie, L-1511 Luxembourg, [email protected]
Smith & Nephew Group Research Centre, York Science Park, Heslington, York YO10 5DF, UK
the Jenks Partnership, Newhaven House, Junction Road, Alderbury,Wiltshire SP5 3AZ, UK. E-mail: [email protected]
The International Spectroscopic Database (IS-DB) went live on 19 May 2003. Following over seven years fighting for funding and receiving the EU EuroSpec grant1 in 2002 the team are pleased to announce that the first version of the international digital archive for spectroscopic data was switched on for data deposition in May.
aUniversity of Molise, Faculty of Agriculture, 86100 Campobasso, Italy
bInstitute of Chemical Methodologies, CNR, 00016 Monterotondo Staz., Rome, Italy
Glow Discharge Mass Spectrometry (GDMS) is one of the most powerful solid state analytical methods for the direct determination of traces, impurities and depth profiling of solids.1–5 Glow discharge mass spectrometers, which are commercially available with fast and sensitive electrical ion detection, allow direct trace elemental determination in solid materials with good sensitivity and precision in the concentration range lower than ng g–1.6