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Evaluation of Mathematical algorithm for solving of fourier transform infrared spectroscopic and mass spectra / raimo A. ketola in Industrial & engineering chemistry research, Vol. 47 n°21 (Novembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°21 (Novembre 2008) . - p. 8101–8106 Titre : Evaluation of Mathematical algorithm for solving of fourier transform infrared spectroscopic and mass spectra Type de document : texte imprimé Auteurs : raimo A. ketola, Auteur ; virpi Tarkiainen, Auteur ; Jari kiuru, Auteur Année de publication : 2008 Article en page(s) : p. 8101–8106 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Solving  of  fourier  Analytical  methods Résumé : The aim of this study was to evaluate the benefits of the simultaneous use of two different analytical methods, namely Fourier transform infrared spectroscopy (FTIR) and mass spectrometry (MS), for online analysis of environmental and process samples. A mathematical method (NALMS) that identifies and quantifies all single components from a single multicomponent spectrum was previously developed for MS, and in this study, the same method, named as SPECTACS, was adopted for solving also an FTIR spectrum and a combined FTIR-MS spectrum. The performance of SPECTACS was evaluated by analyzing various gaseous samples, as case studies, containing volatile organic compounds, and the performance was compared with other methods, which are used to identify and quantitate organic compounds from multicomponent spectra. The results obtained show that SPECTACS with optimized noise reduction and solving a combined FTIR-MS spectrum can increase the reliability of identifying components in a single spectrum and also the accuracy in quantitative measurements when compared to the analysis with one analytical technique alone. The reasons for this improvement is evaluated and discussed in detail. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800851e [article] Evaluation of Mathematical algorithm for solving of fourier transform infrared spectroscopic and mass spectra [texte imprimé] / raimo A. ketola, Auteur ; virpi Tarkiainen, Auteur ; Jari kiuru, Auteur . - 2008 . - p. 8101–8106. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°21 (Novembre 2008) . - p. 8101–8106 Mots-clés : Solving  of  fourier  Analytical  methods Résumé : The aim of this study was to evaluate the benefits of the simultaneous use of two different analytical methods, namely Fourier transform infrared spectroscopy (FTIR) and mass spectrometry (MS), for online analysis of environmental and process samples. A mathematical method (NALMS) that identifies and quantifies all single components from a single multicomponent spectrum was previously developed for MS, and in this study, the same method, named as SPECTACS, was adopted for solving also an FTIR spectrum and a combined FTIR-MS spectrum. The performance of SPECTACS was evaluated by analyzing various gaseous samples, as case studies, containing volatile organic compounds, and the performance was compared with other methods, which are used to identify and quantitate organic compounds from multicomponent spectra. The results obtained show that SPECTACS with optimized noise reduction and solving a combined FTIR-MS spectrum can increase the reliability of identifying components in a single spectrum and also the accuracy in quantitative measurements when compared to the analysis with one analytical technique alone. The reasons for this improvement is evaluated and discussed in detail. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800851e