Vibrational circular dichroism spectra of proline in water at different pH values-Reference-Cited by-同舟云学术

Vibrational circular dichroism spectra of proline in water at different pH values

Published:2024 Issue:25 Volume:26 Page:17753-17759
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Drost Deborah A.¹^ORCID,Merten Christian¹^ORCID

Affiliation:

1. Ruhr University Bochum, Faculty of Chemistry and Biochemistry, Organic Chemistry II, Universitätsstraße 150, 44801 Bochum, Germany

Abstract

The computed VCD spectra of proline–water clusters depend on the orientation of the water molecules in the solvation shell. We thus use an MD-based solvent-shell approach to sample the configurational space of the solvent shell around the solute.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01768D

Reference36 articles.

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3. Chirality transfer through hydrogen-bonding: Experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water

4. Solvation of Propylene Oxide in Water: Vibrational Circular Dichroism, Optical Rotation, and Computer Simulation Studies

5. Probing chiral solute-water hydrogen bonding networks by chirality transfer effects: A vibrational circular dichroism study of glycidol in water

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