Quantum chemistry calculation aided design of chiral ionic liquid-based extraction system for amlodipine separation

DING, Qi, CUI, Xing, XU, Guo-Hua, HE, Chao-Hong and WU, Kejun (2018). Quantum chemistry calculation aided design of chiral ionic liquid-based extraction system for amlodipine separation. AIChE Journal, 64 (11), 4080-4088.

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Official URL: https://onlinelibrary.wiley.com/doi/abs/10.1002/ai...
Link to published version:: https://doi.org/10.1002/aic.16372
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    Amlodipine is a widely used medication in treating hypertension, which is also known as a chiral compound. So far efforts have been made to obtain optically pure (S)-amlodipine because (R)-amlodipine has poor efficacy and is related to undesirable side effects. However, the available separation methods for amlodipine are still unsatisfactory. Recently, chiral separation has become a promising application of chiral ionic liquids (CILs), because the structural designability enables them adjustable separation efficiency for specific tasks. In this work, a high-efficient CIL-based liquid-liquid extraction system was developed for racemic amlodipine separation with the assistance of quantum chemistry calculations. Enantioselectivity up to 1.35 achieved by the novel system at 298.15 K is significantly higher than other available extraction systems. Moreover, the recycling of CIL can be easily realized by backward extraction of amlodipine, which is important for the industrial application of CILs.

    Item Type: Article
    Additional Information: ** From Crossref via Jisc Publications Router. **Journal IDs: pissn 0001-1541
    Uncontrolled Keywords: Biotechnology, Environmental Engineering, General Chemical Engineering
    Identification Number: https://doi.org/10.1002/aic.16372
    Page Range: 4080-4088
    SWORD Depositor: Margaret Boot
    Depositing User: Margaret Boot
    Date Deposited: 21 Aug 2018 16:20
    Last Modified: 18 Mar 2021 03:09
    URI: https://shura.shu.ac.uk/id/eprint/22335

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