{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,6]],"date-time":"2026-01-06T13:05:55Z","timestamp":1767704755381},"reference-count":21,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2006,8,11]],"date-time":"2006-08-11T00:00:00Z","timestamp":1155254400000},"content-version":"vor","delay-in-days":222,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chirality"],"published-print":{"date-parts":[[2006,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Near\u2010infrared (near\u2010IR) Fourier transform vibrational circular dichroism (FT\u2010VCD) spectroscopy has been used to monitor the epimerization of (<jats:italic>S<\/jats:italic>)\u2010(+)\u20102,2\u2010dimethyl\u20101,3\u2010dioxolane\u20104\u2010methanol (<jats:italic>S<\/jats:italic>\u2010DDM). The near\u2010IR\u2010VCD spectra display clear isolated VCD bands at the range of 4700\u20135050 cm<jats:sup>\u22121<\/jats:sup> resulting from the OH stretch\u2010bend combination bands of <jats:italic>S<\/jats:italic>\u2010DDM, which were found to decrease in intensity with increasing reaction time. The near\u2010IR\u2010VCD spectra of 10 reference samples obtained were subjected to partial least\u2010squares (PLS) regression analysis, and the results were used to build predictive models for enantiomeric excess (EE) determination. Multivariate regression was carried out on three different sets of spectra, corresponding to the epimerization of <jats:italic>S<\/jats:italic>\u2010DDM in three different solvents: methylcyclohexane, carbon tetrachloride and tetrahydrofuran. The effects of solvent in DDM epimerization are discussed in terms of the relative stabilization of the reaction intermediate of the DDM epimerization reaction. The results of these near\u2010IR\u2010VCD studies for the determination of EE highlights the potential of VCD for in situ real\u2010time process monitoring of the reaction kinetics of chiral molecules in solution. Chirality, 2006. \u00a9 2006 Wiley\u2010Liss, Inc.<\/jats:p>","DOI":"10.1002\/chir.20263","type":"journal-article","created":{"date-parts":[[2006,8,11]],"date-time":"2006-08-11T12:46:36Z","timestamp":1155300396000},"page":"775-782","source":"Crossref","is-referenced-by-count":19,"title":["Fourier transform near\u2010infrared vibrational circular dichroism used for on\u2010line monitoring the epimerization of 2,2\u2010dimethyl\u20101,3\u2010dioxolane\u20104\u2010methanol: A pseudo racemization reaction"],"prefix":"10.1002","volume":"18","author":[{"given":"Changning","family":"Guo","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rekha D.","family":"Shah","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"John","family":"Mills","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rina K.","family":"Dukor","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaolin","family":"Cao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Teresa B.","family":"Freedman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Laurence A.","family":"Nafie","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2006,8,11]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/hlca.19790620735"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/jo00168a056"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)94954-2"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1039\/c39800000442"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4039(00)88418-X"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0040-4020(01)87445-7"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/hlca.19820650339"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/jo01325a017"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00540a022"},{"key":"e_1_2_1_11_2","unstructured":"1973 Heyden and Sons Ltd. London P Salvadori F Ciardelli FCP Salvadori Optical rotatory dispersion and circular dichroism 3 24"},{"key":"e_1_2_1_12_2","volume-title":"Circular dichroism: principles and applications","author":"Berova N","year":"2000"},{"key":"e_1_2_1_13_2","first-page":"283","article-title":"Vibrational circular dichroism: an incisive tool for stereochemical applications","author":"Nafie LA","year":"1998","journal-title":"Enantiomer"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702041959433"},{"key":"e_1_2_1_15_2","volume-title":"Near infrared technology in the agricultural and food industries","author":"Williams P","year":"1987"},{"key":"e_1_2_1_16_2","volume-title":"Handbook of Near\u2010Infrared Analysis","author":"Burns DA","year":"1992"},{"key":"e_1_2_1_17_2","volume-title":"Practical NIR spectroscopy","author":"Osborne BG","year":"1993"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1021\/ac049366a"},{"key":"e_1_2_1_19_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702055012573"},{"key":"e_1_2_1_20_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702001948664"},{"key":"e_1_2_1_21_2","doi-asserted-by":"crossref","unstructured":"GuoC ShahRD DukorRK FreedmanTB CaoX NafieLA.Fourier transform vibrational circular dichroism from 800 to 10 000 cm\u22121: Spectral standards for Near\u2010IR VCD for terpenes and related molecules. 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