Chirality, volume 34, issue 11, pages 1472-1488
Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier
Publication type: Journal Article
Publication date: 2022-09-08
Catalysis
Organic Chemistry
Drug Discovery
Spectroscopy
Pharmacology
Analytical Chemistry
Abstract
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 (ΔEads ). The efficiency of our approach is demonstrated using the example of cyclodextrins and chiral single-wall carbon nanotubes as chiral modifiers, and a wide range of chiral analytes. We found that the experimental enantioselectivity (ϑexp ) measured using voltammetry linearly correlates with ΔEads . The suggested approach also showed good predictive power in application to enantioselective chromatography, which further validates its general applicability.
Citations by journals
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Journal of Electroanalytical Chemistry
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Journal of Electroanalytical Chemistry
1 publication, 33.33%
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Letters on Materials
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Letters on Materials
1 publication, 33.33%
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Electroanalysis
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Electroanalysis
1 publication, 33.33%
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Citations by publishers
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1
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Elsevier
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Elsevier
1 publication, 33.33%
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Institute for Metals Superplasticity Problems of Russian Academy of Sciences
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Institute for Metals Superplasticity Problems of Russian Academy of Sciences
1 publication, 33.33%
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Wiley
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Wiley
1 publication, 33.33%
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1
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Zilberg R. A. et al. Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier // Chirality. 2022. Vol. 34. No. 11. pp. 1472-1488.
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Zilberg R. A., Vakulin I. V., Teres J. B., Galimov D. I., Maistrenko V. N. Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier // Chirality. 2022. Vol. 34. No. 11. pp. 1472-1488.
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TY - JOUR
DO - 10.1002/chir.23502
UR - https://doi.org/10.1002%2Fchir.23502
TI - Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier
T2 - Chirality
AU - Zilberg, Rufina A
AU - Vakulin, Ivan V
AU - Teres, Julia B
AU - Galimov, Dim I
AU - Maistrenko, Valery N
PY - 2022
DA - 2022/09/08 00:00:00
PB - Wiley
SP - 1472-1488
IS - 11
VL - 34
SN - 0899-0042
SN - 1520-636X
ER -
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@article{2022_Zilberg,
author = {Rufina A Zilberg and Ivan V Vakulin and Julia B Teres and Dim I Galimov and Valery N Maistrenko},
title = {Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier},
journal = {Chirality},
year = {2022},
volume = {34},
publisher = {Wiley},
month = {sep},
url = {https://doi.org/10.1002%2Fchir.23502},
number = {11},
pages = {1472--1488},
doi = {10.1002/chir.23502}
}
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Zilberg, Rufina A., et al. “Rational design of highly enantioselective composite voltammetric sensors using a computationally predicted chiral modifier.” Chirality, vol. 34, no. 11, Sep. 2022, pp. 1472-1488. https://doi.org/10.1002%2Fchir.23502.