From spectra to qualitative and quantitative results
| Autor: | Olivier Thomas, Jean Causse |
|---|---|
| Přispěvatelé: | École des Hautes Études en Santé Publique [EHESP] (EHESP), Institut de recherche en santé, environnement et travail (Irset), Université d'Angers (UA)-Université de Rennes (UR)-École des Hautes Études en Santé Publique [EHESP] (EHESP)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique ), Laboratoire d'étude et de recherche en environnement et santé (LERES) |
| Rok vydání: | 2022 |
| Předmět: |
PLS
Spectral deconvolution Multiwavelengths 01 natural sciences Spectral line MLR Absorbance Partial least squares regression Second derivative spectrophotometry Mathematics Second derivative Isosbestic point PCA 010401 analytical chemistry Isosbestic points 04 agricultural and veterinary sciences 0104 chemical sciences Wavelength Principal component analysis 040103 agronomy & agriculture 0401 agriculture forestry and fisheries [SDV.SPEE]Life Sciences [q-bio]/Santé publique et épidémiologie Deconvolution Spectra exploitation Biological system One wavelength |
| Zdroj: | UV-Visible Spectrophotometry of Water and Wastewater (Second Edition) UV-Visible Spectrophotometry of Water and Wastewater (Second Edition), pp.37-72, 2017, ⟨10.1016/B978-0-444-63897-7.00002-0⟩ |
| DOI: | 10.1016/b978-0-323-90994-5.00011-3 |
| Popis: | International audience; Once a UV-visible spectrum acquired, the question of the signal exploitation arises. From a qualitative point of view, several handling methods are available for spectra interpretation such as spectra shape comparison, derivative spectra or research of isosbestic points from a set of spectra. For the determination of concentrations of dissolved compounds or the estimation of aggregate parameters or indices, the simplest way is to use a colorimetric approach with the study of the relation with the absorbance value at one wavelength. However, this approach is limited and several other methods can be used for more robust results among the exploitation of absorbance values at two wavelengths, second derivative calculation, principal component analysis or partial least squares regression or spectral deconvolution. An overview of methods application is given at the end of this chapter. © 2017 Elsevier B.V. All rights reserved |
| Databáze: | OpenAIRE |
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