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Best practice considerations for using the selectivity factor, s, as a metric for the efficiency of kinetic resolutions

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dc.contributor.authorGreenhalgh, Mark D.
dc.contributor.authorTaylor, James E.
dc.contributor.authorSmith, Andrew D.
dc.date.accessioned2019-05-24T23:38:08Z
dc.date.available2019-05-24T23:38:08Z
dc.date.issued2018-09-20
dc.identifier253170445
dc.identifier4695c36d-77ad-46ab-a0e4-c7d7288d339a
dc.identifier85048333535
dc.identifier000445305400073
dc.identifier.citationGreenhalgh , M D , Taylor , J E & Smith , A D 2018 , ' Best practice considerations for using the selectivity factor, s , as a metric for the efficiency of kinetic resolutions ' , Tetrahedron , vol. 74 , no. 38 , pp. 5554-5560 . https://doi.org/10.1016/j.tet.2018.05.069en
dc.identifier.issn0040-4020
dc.identifier.otherORCID: /0000-0002-2104-7313/work/45160442
dc.identifier.urihttps://hdl.handle.net/10023/17760
dc.descriptionThe research leading to these results has received funding from the ERC under the European Union’s Seventh Framework Programme (FP7/2007--2013)/E.R.C. grant agreement 279850. J.E.T. thanks The Leverhulme Trust [Early Career Fellowship ECF-2014-005] for financial support. A.D.S. thanks the Royal Society for a Wolfson Merit Award.en
dc.description.abstractThe suitability of using the selectivity factor, s, as a reaction metric for kinetic resolution reactions and the errors associated with its measurement are considered. Investigation of the analytical error associated with HPLC analysis of a kinetic resolution reveals that one of the largest potential sources of variation arises from the ability of a practitioner to integrate the peaks from a single analysis. The consequences of this error on the reliability of reported s values are discussed, and some general rules for good practice regarding the use and reporting of s as a metric are suggested.
dc.format.extent7
dc.format.extent864382
dc.language.isoeng
dc.relation.ispartofTetrahedronen
dc.subjectKinetic resolutionen
dc.subjectSelectivity factoren
dc.subjectData analysisen
dc.subjectError calculationsen
dc.subjectHPLC analysisen
dc.subjectQD Chemistryen
dc.subjectNDASen
dc.subject.lccQDen
dc.titleBest practice considerations for using the selectivity factor, s, as a metric for the efficiency of kinetic resolutionsen
dc.typeJournal articleen
dc.contributor.sponsorEuropean Commissionen
dc.contributor.sponsorThe Royal Societyen
dc.contributor.sponsorThe Leverhulme Trusten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. Biomedical Sciences Research Complexen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1016/j.tet.2018.05.069
dc.description.statusPeer revieweden
dc.date.embargoedUntil2019-05-25
dc.identifier.grantnumberN/Aen
dc.identifier.grantnumberWM140071en
dc.identifier.grantnumberECF-2014-005en


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