Solvation of diclofenac in water from atomistic molecular dynamics simulations – interplay between solute–solute and solute–solvent interactions-Reference-Cited by-同舟云学术

Solvation of diclofenac in water from atomistic molecular dynamics simulations – interplay between solute–solute and solute–solvent interactions

Author:

Kozlowska Mariana¹²³⁴^ORCID,Rodziewicz Pawel¹⁵⁶⁷⁸,Utesch Tillmann¹²³⁴,Mroginski Maria Andrea¹²³⁴^ORCID,Kaczmarek-Kedziera Anna⁹¹⁰¹¹⁷

Affiliation:

1. Institute of Chemistry

2. Technical University Berlin

3. 10623 Berlin

4. Germany

5. Jan Kochanowski University

6. 25-406 Kielce

7. Poland

8. Interdisciplinary Center for Molecular Materials (ICMM) and Computer-Chemistry-Center (CCC)

9. Faculty of Chemistry

10. Nicholaus Copernicus University in Torun

11. 87-100 Torun

Abstract

Self-association of diclofenac in water via π–π interactions and C–H⋯π hydrogen bonds as a reason for its low aqueous solubility.

Funder

Narodowe Centrum Nauki

Deutscher Akademischer Austauschdienst

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference52 articles.

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