Model Building Using Linear Free Energy Relationship Parameters–Eliminating Calibration Curves for Optical Analysis of Enantiomeric Excess

CY Lin, S Lim, EV Anslyn - Journal of the American Chemical …, 2016 - ACS Publications
Linear free energy relationship (LFER) parameters are routinely used to parametrize
physicochemical effects while investigating reaction mechanisms. In this Communication,
we describe an alternate application for LFERs: training sets for model building in an
analytical application. In this study, the sterics, quantified by Charton parameters (Δv), of
nine secondary chiral alcohol analytes were correlated to the circular dichroism output from
a chiral alcohol optical sensor. To test the validity of the model, the correlative linear model …

[引用][C] Model Building Using Linear Free Energy Relationship Parameters–Eliminating Calibration Curves for Optical Analysis of Enantiomeric Excess

L Chung-Yon, L Stephanie - 2016
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