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A Theoretical Study on Lidocaine Solubility in Deep Eutectic Solvents

Abstract

The solvation of lidocaine in two selected deep eutectic solvents is studied using density functional theory and molecular dynamics methods. The intermolecular forces between lidocaine and the involved molecules are analysed in terms of van der Waals and hydrogen bond interactions. The structure, composition and properties of the lidocaine solvation shells are analysed together with the possible lidocaine clustering. The changes in the solvent structures upon lidocaine solution are also studied. The reported results show effective solvation of lidocaine in deep eutectics as because of strong solute-solvent intermolecular interactions accompanied by a slight volume expansion and minor solvent structural changes, thus confirming deep eutectics as suitable media for developing pharmaceutical applications.

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Publication details

The article was received on 05 Sep 2018, accepted on 09 Oct 2018 and first published on 10 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP05641B
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    A Theoretical Study on Lidocaine Solubility in Deep Eutectic Solvents

    A. Gutierrez, M. Atilhan and S. Aparicio, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP05641B

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