Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier

Autor: Rufina A. Zilberg, Ivan V. Vakulin, Julia B. Teres, Ilnar I. Galimov, Valery N. Maistrenko
Rok vydání: 2022
Předmět:
Zdroj: Chirality. 34:1472-1488
ISSN: 1520-636X
0899-0042
Popis: The use of chiral modifiers is among the simplest and most popular strategies for synthesizing enantioselective voltammetric sensors that are applied for the analysis and discrimination of enantiomerical drugs in various media. The type and structure of the chiral modifier are the key factors for the creation of enantioselectivity to a specified analyte. We suggest a novel approach to the prediction of the quality of a chiral modifier for preparing highly enantioselective sensors. The suggested approach is based on the molecular mechanics modeling of the adsorption of analyte enantiomers on chiral modifiers and on the comparison of the corresponding adsorption energies (ΔE
Databáze: OpenAIRE
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