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Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC

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Abstract

This paper outlines a protocol, which combines quantum mechanics calculations and experimental synthesis, to enable systematic selection of suitable chromophores based on their stability of fluorescence and efficiency of the chemical reaction. The experimental conditions were optimised for the esterification of fatty acids with the most effective chromophore, 5-(4-(diphenylamine)phenylthiopheny-2-yl)methanol.

Graphical abstract: Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC

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Publication details

The article was received on 25 Mar 2019, accepted on 15 May 2019 and first published on 16 May 2019


Article type: Communication
DOI: 10.1039/C9AY00616H
Anal. Methods, 2019, Advance Article

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    Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC

    J. Pandohee, R. J. Rees, M. J. S. Spencer, A. Raynor and O. A. H. Jones, Anal. Methods, 2019, Advance Article , DOI: 10.1039/C9AY00616H

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