{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T10:52:53Z","timestamp":1753872773686,"version":"3.41.2"},"reference-count":54,"publisher":"AIP Publishing","issue":"24","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2009,6,28]]},"abstract":"<jats:p>The presence of a chiral surface can alter the characteristics of nearby solvent molecules such that, on average, these molecules become chiral. The extent of this induced chirality and its dependence on the surface and solvent characteristics are explored in this article. Three surfaces employed in chiral chromatography are examined: The Whelk-O1 interface, a phenylglycine-derived chiral stationary phase (CSP), and a leucine-derived CSP. All three interfaces are \u201cbrush type\u201d in that the chiral molecules are attached to the underlying substrate via an achiral tether. The solvents consist of ethanol, a binary n-hexane\/ethanol solvent, 2-propanol, and a binary n-hexane\/2-propanol solvent. Molecular dynamics simulations of the solvated chiral interfaces form the basis of the analysis. The chirality induced in the solvent is assessed based on a chirality index originally proposed by Osipov et al. [Mol. Phys.\u200884, 1193 (1995)]. Solvent chirality will depend on the solvent position relative to the surface. For this reason, a position-dependent chirality index is analyzed in detail.<\/jats:p>","DOI":"10.1063\/1.3152332","type":"journal-article","created":{"date-parts":[[2009,6,22]],"date-time":"2009-06-22T22:26:27Z","timestamp":1245709587000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":8,"title":["A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent"],"prefix":"10.1063","volume":"130","author":[{"given":"Shihao","family":"Wang","sequence":"first","affiliation":[{"name":"Queen\u2019s University Department of Chemistry, , Kingston, Ontario K7L 3N6, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"N. M.","family":"Cann","sequence":"additional","affiliation":[{"name":"Queen\u2019s University Department of Chemistry, , Kingston, Ontario K7L 3N6, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"317","published-online":{"date-parts":[[2009,6,22]]},"reference":[{"key":"2023062604410804900_c1a","doi-asserted-by":"publisher","first-page":"2331","DOI":"10.1081\/JLC-120023250","volume":"26","year":"2003","journal-title":"J. Liquid Chromatogr. Relat. Technol."},{"key":"2023062604410804900_c1b","doi-asserted-by":"publisher","first-page":"109","DOI":"10.1016\/S0021-9673(96)00460-8","volume":"753","year":"1996","journal-title":"J. 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