Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach-Reference-Cited by-同舟云学术

Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach

Published:2023 Issue:3 Volume:25 Page:2523-2536
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Prampolini Giacomo¹^ORCID,Campetella Marco²^ORCID,Ferretti Alessandro¹

Affiliation:

1. Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Area della Ricerca, via G. Moruzzi 1, I-56124 Pisa, Italy

2. Dipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Via Aldo Moro 2 SI, Siena, I-53100, Italy

Abstract

A multi-level computational approach is employed to investigate catechol's conformational dynamics in different solvents, unraveling the interplay between the intramolecular hydrogen bond and the interactions with the surrounding molecules.

Funder

Università degli Studi di Siena

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04500A

Reference67 articles.

1. Jack of all trades: versatile catechol crosslinking mechanisms

2. The Chemistry behind Catechol-Based Adhesion

3. Catechol-Based Biomimetic Functional Materials

4. Versatile Nanostructured Materials via Direct Reaction of Functionalized Catechols

5. Bioinspired Catechol-Based Systems: Chemistry and Applications

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