Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study

Meta-aminobenzoic acid, an important model system in the study of polymorphism and crystallization of active pharmaceutical ingredients, exist in water in both the nonionic (mABA) and zwitterionic (mABA±) forms. However, the constituent molecules of the polymorph that crystallizes from aqueous solut...

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Bibliographic Details
Main Authors: Etienne Gaines, Devis Di Tommaso
Format: Article
Language:English
Published: MDPI AG 2018-01-01
Series:Pharmaceutics
Subjects:
Online Access:http://www.mdpi.com/1999-4923/10/1/12