Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph
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 crystallizati...
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| Format: | Undergraduates Project Papers |
| Language: | en |
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2012
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| Online Access: | http://umpir.ump.edu.my/id/eprint/7221/1/Molecular%20dynamics%20simulation%20of%20ibuprofen%20crystal%20polymorph.pdf http://umpir.ump.edu.my/id/eprint/7221/ |
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| _version_ | 1831522150552436736 |
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| author | Mohammad Safuan, Mat Noor |
| author_facet | Mohammad Safuan, Mat Noor |
| author_sort | Mohammad Safuan, Mat Noor |
| building | UMPSA Library |
| collection | Institutional Repository |
| content_provider | Universiti Malaysia Pahang Al-Sultan Abdullah |
| content_source | UMPSA Institutional Repository |
| continent | Asia |
| country | Malaysia |
| description | 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. |
| format | Undergraduates Project Papers |
| id | my.ump.umpir.7221 |
| institution | Universiti Malaysia Pahang |
| language | en |
| publishDate | 2012 |
| record_format | eprints |
| spelling | my.ump.umpir.72212023-10-18T00:36:21Z http://umpir.ump.edu.my/id/eprint/7221/ Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph Mohammad Safuan, Mat Noor QD Chemistry 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. 2012-02 Undergraduates Project Papers NonPeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/7221/1/Molecular%20dynamics%20simulation%20of%20ibuprofen%20crystal%20polymorph.pdf Mohammad Safuan, Mat Noor (2012) Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph. Faculty of Chemical and Natural Resources Engineering, Universiti Malaysia Pahang. |
| spellingShingle | QD Chemistry Mohammad Safuan, Mat Noor Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title | Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title_full | Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title_fullStr | Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title_full_unstemmed | Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title_short | Molecular Dynamics Simulation of Ibuprofen Crystal Polymorph |
| title_sort | molecular dynamics simulation of ibuprofen crystal polymorph |
| topic | QD Chemistry |
| url | http://umpir.ump.edu.my/id/eprint/7221/1/Molecular%20dynamics%20simulation%20of%20ibuprofen%20crystal%20polymorph.pdf http://umpir.ump.edu.my/id/eprint/7221/ |
| url_provider | http://umpir.ump.edu.my/ |