Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis

A Matlab implemented computer code for spectral resolution is presented. The code enables the user to resolve the UV-visible absorption spectrum of a mixture of up to 3 previously known components, to the individual components, thus, evaluating their quantities. The resolving procedure is based on s...

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Detalles Bibliográficos
Autores principales: Gonen, Yotam, Rytwo, Giora
Formato: Texto
Lenguaje:English
Publicado: Libertas Academica 2009
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2805423/
https://www.ncbi.nlm.nih.gov/pubmed/20072668
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author Gonen, Yotam
Rytwo, Giora
author_facet Gonen, Yotam
Rytwo, Giora
author_sort Gonen, Yotam
collection PubMed
description A Matlab implemented computer code for spectral resolution is presented. The code enables the user to resolve the UV-visible absorption spectrum of a mixture of up to 3 previously known components, to the individual components, thus, evaluating their quantities. The resolving procedure is based on searching the combination of the components which yields the spectrum which is the most similar (minimal RMSE) to the measured spectrum of the mixture. Examples of using the software for pK(a) value estimation and multicomponent analysis are presented and other implementations are suggested.
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spelling pubmed-28054232010-01-13 Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis Gonen, Yotam Rytwo, Giora Anal Chem Insights Methodology A Matlab implemented computer code for spectral resolution is presented. The code enables the user to resolve the UV-visible absorption spectrum of a mixture of up to 3 previously known components, to the individual components, thus, evaluating their quantities. The resolving procedure is based on searching the combination of the components which yields the spectrum which is the most similar (minimal RMSE) to the measured spectrum of the mixture. Examples of using the software for pK(a) value estimation and multicomponent analysis are presented and other implementations are suggested. Libertas Academica 2009-12-14 /pmc/articles/PMC2805423/ /pubmed/20072668 Text en © 2009 The authors. This is an open access article. Unrestricted non-commercial use is permitted provided the original work is properly cited.
spellingShingle Methodology
Gonen, Yotam
Rytwo, Giora
Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title_full Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title_fullStr Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title_full_unstemmed Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title_short Using a Matlab Implemented Algorithm for UV-vis Spectral Resolution for pK(a) Determination and Multicomponent Analysis
title_sort using a matlab implemented algorithm for uv-vis spectral resolution for pk(a) determination and multicomponent analysis
topic Methodology
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2805423/
https://www.ncbi.nlm.nih.gov/pubmed/20072668
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