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Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph

Mohammad Safuan, Mat Noor (2012) Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph. Faculty of Chemical and Natural Resources Engineering, Universiti Malaysia Pahang.

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Abstract

Ibuprofen (iso-butyl-propanolic acid) is one of the Active Pharmaceutical Ingredients (API) that uses to treat a symptom of rheumatism, arthritis, fever, as an analgesic (pain reliever). This study aims to identify which solvents should affect the polymorph of ibuprofen begins from the crystallization solution. The Molecular Dynamics Simulation and Fourier transform infrared (FTIR) is used to recognize which molecules that form hydrogen bond in the ibuprofen crystal polymorph. The study analysis has shown that the higher hydrogen bond between the atoms will contribute to the ibuprofen crystal polymorph. As the conclusion, only the selected atoms will contribute in the formation of desired crystal polymorph of ibuprofen.

Item Type: Undergraduates Project Papers
Additional Information: Project paper (Bachelor of Chemical Engineering) -- Universiti Malaysia Pahang – 2012
Uncontrolled Keywords: Ibuprofen Polymorphism (Crystallography)
Subjects: Q Science > QD Chemistry
Faculty/Division: Faculty of Chemical & Natural Resources Engineering
Depositing User: Ms Suriati Mohd Adam
Date Deposited: 11 Nov 2014 02:28
Last Modified: 03 Mar 2015 09:34
URI: http://umpir.ump.edu.my/id/eprint/7221
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