| 학회 |
한국화학공학회 |
| 학술대회 |
2007년 가을 (10/26 ~ 10/27, 한국과학기술원) |
| 권호 |
13권 2호, p.1587 |
| 발표분야 |
분리기술 |
| 제목 |
Modeling and Experimental Verification of Lipase-catalyzed Enantioselective Esterification of Racemic Naproxen in Supercritical Carbon Dioxide |
| 초록 |
Experimental and simulation analysis were performed on the esterification reaction of racemic naproxen by CALB (Candida antarctica Lipase B) enzyme in supercritical carbon dioxide. The reaction pathways were investigated by quantum mechanical analysis, and the enantio-selectivity of the products was predicted by molecular dynamics simulation analysis. Calculated results from molecular modeling in supercritical carbon dioxide have been compared with experimental data using racemic naproxen as a substrate qualitatively. The productivity and enantimeric ratio (E) of the lipase-catalyzed enantioselective esterification of racemic naproxen were also obtained by the experiments. All molecular simulation results and experimental data were acquired and compared with those in ambient condition and supercritical condition. |
| 저자 |
권정훈, 정정영, 이미리, 이종호, 김승욱, 강정원
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| 소속 |
고려대 |
| 키워드 |
Racemic naproxen; CALB; Enantio-selectivity; Supercritical carbon dioxide
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| E-Mail |
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| 원문파일 |
초록 보기 |
