{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T13:28:46Z","timestamp":1790774926919,"version":"4.1.0"},"reference-count":34,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2013,7,26]],"date-time":"2013-07-26T00:00:00Z","timestamp":1374796800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Chirality"],"published-print":{"date-parts":[[2013,11]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>With the aim to define a combined computational\/chromatographic empirical approach useful for the high\u2010performance liquid chromatography (HPLC) method development of new chiral compounds, 36 racemic aromatic compounds with different chemical structures were used as test probes on four polysaccharide\u2010based chiral stationary phases (CSPs) of the Lux series, namely Lux Cellulose\u20101, Lux Cellulose\u20102, Lux Cellulose\u20104, and Lux Amylose\u20102, using classical <jats:italic>n<\/jats:italic>\u2010hexane\/2\u2010propanol mixtures as mobile phase. Electrostatic potential surfaces (EPSs) determined using Density Functional Theory (DFT) calculations were used to derive size, shape, and electronic properties of each analyte. Then a comparative HPLC screening was carried out in order to evaluate the impact of substituents, shapes, and electronic properties of the analytes on the chromatographic behavior as the column changes. The four CSPs showed good complementary recognition ability. The elution sequence was determined in 30 cases out of 36. The success rate to afford baseline separations (R<jats:sub>s<\/jats:sub>\u2009\u2265\u20091.5) was estimated: 29 compounds out of 36 showed baseline enantioseparation on at least one of the four selected CSPs. The combined computational\u2010chromatographic screening furnished useful collective structure\u2010chromatographic behavior relationships and a map of the chiral discrimination abilities of the considered CSPs towards the analytes. On this basis, the chromatographic behavior of new analytes on a set of polysaccharide\u2010based CSPs can be mapped through the qualitative correlation of chromatographic parameters (<jats:italic>k<\/jats:italic>, \u03b1, R<jats:sub>s<\/jats:sub>) to computed molecular properties of the analytes. <jats:italic>Chirality 25:709\u2013718, 2013<\/jats:italic>. \u00a9 2013 Wiley Periodicals, Inc.<\/jats:p>","DOI":"10.1002\/chir.22202","type":"journal-article","created":{"date-parts":[[2013,7,27]],"date-time":"2013-07-27T00:37:43Z","timestamp":1374885463000},"page":"709-718","source":"Crossref","is-referenced-by-count":24,"title":["Comparative HPLC Enantioseparation of Thirty\u2010Six Aromatic Compounds on Four Columns of the Lux\u00ae Series: Impact of Substituents, Shapes and Electronic Properties"],"prefix":"10.1002","volume":"25","author":[{"given":"Paola","family":"Peluso","sequence":"first","affiliation":[{"name":"Istituto di Chimica Biomolecolare ICB CNR \u2013 UOS di Sassari  Sassari Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sergio","family":"Cossu","sequence":"additional","affiliation":[{"name":"Dipartimento di Scienze Molecolari e Nanosistemi Universit\u00e0 Ca' Foscari di Venezia  Venezia 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