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

Pandohee, J, Rees, R, Spencer, M, Raynor, A and Jones, O 2019, 'Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC', Analytical Methods, vol. 11, pp. 2952-2959.


Document type: Journal Article
Collection: Journal Articles

Title Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC
Author(s) Pandohee, J
Rees, R
Spencer, M
Raynor, A
Jones, O
Year 2019
Journal name Analytical Methods
Volume number 11
Start page 2952
End page 2959
Total pages 8
Publisher Royal Society of Chemistry
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.
Subject Analytical Spectrometry
Surfaces and Structural Properties of Condensed Matter
Separation Science
DOI - identifier 10.1039/C9AY00616H
Copyright notice © The Royal Society of Chemistry 2019
ISSN 1759-9679
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