A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression

[Image: see text] Online HPLC reaction progress monitoring provides detailed data-rich profiles; however, extracting kinetic information requires ultraviolet–visible response factors to determine concentrations from peak areas. If the reaction’s overall mass balance is known and some analytical tren...

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Detalles Bibliográficos
Autores principales: Deem, Madeleine C., Hein, Jason E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9872085/
https://www.ncbi.nlm.nih.gov/pubmed/36625157
http://dx.doi.org/10.1021/acs.joc.2c02737
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author Deem, Madeleine C.
Hein, Jason E.
author_facet Deem, Madeleine C.
Hein, Jason E.
author_sort Deem, Madeleine C.
collection PubMed
description [Image: see text] Online HPLC reaction progress monitoring provides detailed data-rich profiles; however, extracting kinetic information requires ultraviolet–visible response factors to determine concentrations from peak areas. If the reaction’s overall mass balance is known and some analytical trend for all relevant species can be recorded, it is possible to estimate the absolute response factors of all species using a system of linear equations. We delineate a method using the Microsoft Solver plug-in to convert time course profiles to reagent concentrations without analytical standards.
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spelling pubmed-98720852023-01-25 A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression Deem, Madeleine C. Hein, Jason E. J Org Chem [Image: see text] Online HPLC reaction progress monitoring provides detailed data-rich profiles; however, extracting kinetic information requires ultraviolet–visible response factors to determine concentrations from peak areas. If the reaction’s overall mass balance is known and some analytical trend for all relevant species can be recorded, it is possible to estimate the absolute response factors of all species using a system of linear equations. We delineate a method using the Microsoft Solver plug-in to convert time course profiles to reagent concentrations without analytical standards. American Chemical Society 2023-01-10 /pmc/articles/PMC9872085/ /pubmed/36625157 http://dx.doi.org/10.1021/acs.joc.2c02737 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Deem, Madeleine C.
Hein, Jason E.
A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title_full A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title_fullStr A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title_full_unstemmed A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title_short A Method for Converting HPLC Peak Area from Online Reaction Monitoring to Concentration Using Nonlinear Regression
title_sort method for converting hplc peak area from online reaction monitoring to concentration using nonlinear regression
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9872085/
https://www.ncbi.nlm.nih.gov/pubmed/36625157
http://dx.doi.org/10.1021/acs.joc.2c02737
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