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Structures and hydrogen bonding recognition of mefenamic acid form I crystals in mefenamic acid/ethanol solution

Abdul Mudalip, Siti Kholijah and Abu Bakar, Mohd Rushdi and Adam, Fatmawati and Jamal, Parveen (2013) Structures and hydrogen bonding recognition of mefenamic acid form I crystals in mefenamic acid/ethanol solution. International Journal of Chemical Engineering and Applications, 4 (3). pp. 124-128. ISSN 2010-0221

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Mefenamic acid is one of the active pharmaceutical ingredients that exhibit polymorphism. An experimental study has found that Form I of mefenamic acid is produced from cooling crystallization with ethanol as a solvent. Hydrogen bonding is considered as the fundamental factor that controls the polymorphism of mefenamic acid in ethanol. This work, in essence, was performed to verify this using molecular dynamics simulation.The simulation was performed using COMPASS force field available in Material Studio package.The result of the simulation showed strong hydrogen bonding between oxygen and hydrogen in the carboxylic group. The results of the Fourier transform infrared spectroscopy analysis confirmed the existence of O-H, C-O and C=O bonds. These findings proved the presence of hydrogen bonds that leads to the formation of hydrogen motif in Form I of mefenamic acid during crystallization process using ethanol as a solvent.

Item Type: Article (Journal)
Additional Information: 4033/35189
Uncontrolled Keywords: Radial distribution function, COMPASS,Ewald,polymorph
Subjects: Q Science > QD Chemistry
R Medicine > RS Pharmacy and materia medica
T Technology > TP Chemical technology > TP155 Chemical engineering
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Engineering > Department of Biotechnology Engineering
Kulliyyah of Pharmacy
Depositing User: Dr Mohd Rushdi Abu Bakar
Date Deposited: 04 Feb 2014 14:20
Last Modified: 16 Jul 2014 09:47
URI: http://irep.iium.edu.my/id/eprint/35189

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