Please use this identifier to cite or link to this item:
https://doi.org/10.1366/000370203322102889
DC Field | Value | |
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dc.title | Determination of enantiomeric excess using the ultraviolet-circular dichroism and the high-performance liquid chromatography-circular dichroism methods | |
dc.contributor.author | Chen, L. | |
dc.contributor.author | Zhao, Y. | |
dc.contributor.author | Gao, F. | |
dc.contributor.author | Garland, M. | |
dc.date.accessioned | 2014-06-17T08:31:19Z | |
dc.date.available | 2014-06-17T08:31:19Z | |
dc.date.issued | 2003-07 | |
dc.identifier.citation | Chen, L., Zhao, Y., Gao, F., Garland, M. (2003-07). Determination of enantiomeric excess using the ultraviolet-circular dichroism and the high-performance liquid chromatography-circular dichroism methods. Applied Spectroscopy 57 (7) : 797-804. ScholarBank@NUS Repository. https://doi.org/10.1366/000370203322102889 | |
dc.identifier.issn | 00037028 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/66520 | |
dc.description.abstract | Two useful numerical methods using ultraviolet (UV) and circular dichroism (CD) spectroscopies are proposed to determine enantiomeric excess (e.e). An algorithm is also proposed to generate self-consistent pure R and S enantiomer reference spectra. After all pure reference spectra are generated, a simulated annealing algorithm is applied to minimize the mismatch between the experimental spectra and the spectra after a least-squares fit. Optimal factors for R and S enantiomers are then used to determine e.e. The ultraviolet-circular dichroism (UV-CD) method uses the combined UV and CD spectra in a composite form, while the high-performance liquid chromatography (HPLC)-CD method only employs the CD spectra with the total concentrations of R plus S enantiomers provided by HPLC using a non-chiral stationary phase. Both methods were successfully tested on mixtures with known composition and then applied to real experimental data (unknown compositions). Compared with the UV-CD method, the results show that excellent results are more readily obtained using the HPLC-CD method. With the systems studied, the latter usually provided outstanding estimations of e.e with low error percentages. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1366/000370203322102889 | |
dc.source | Scopus | |
dc.subject | Enantiomeric excess | |
dc.subject | Enantiomers | |
dc.subject | High-performance liquid chromatography-circular dichroism | |
dc.subject | HPLC-CD | |
dc.subject | Pure reference spectra | |
dc.subject | Simulated annealing | |
dc.subject | Ultraviolet-circular dichroism | |
dc.subject | UV-CD | |
dc.type | Article | |
dc.contributor.department | CHEMICAL & ENVIRONMENTAL ENGINEERING | |
dc.description.doi | 10.1366/000370203322102889 | |
dc.description.sourcetitle | Applied Spectroscopy | |
dc.description.volume | 57 | |
dc.description.issue | 7 | |
dc.description.page | 797-804 | |
dc.description.coden | APSPA | |
dc.identifier.isiut | 000184358600011 | |
Appears in Collections: | Staff Publications |
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