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Titolo:
COMPUTATIONAL CHEMICAL-ANALYSIS OF CHIRAL RECOGNITION IN LIQUID-CHROMATOGRAPHY, SELECTIVITY OF N-(R)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE AND N-(S)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE BONDED AMINOPROPYL SILICA-GELS
Autore:
HANAI T; HATANO H; NIMURA N; KINOSHITA T;
Indirizzi:
INST PASTEUR KYOTO,HLTH RES FDN,INT INST TECHNOL ANAL,SAKYO KU,5F HYAKUMANBEN KYOTO 606 JAPAN KITASATO UNIV,SCH PHARMACEUT SCI,MINATO KU TOKYO 108 JAPAN
Titolo Testata:
Analytica chimica acta
fascicolo: 2-3, volume: 332, anno: 1996,
pagine: 213 - 224
SICI:
0003-2670(1996)332:2-3<213:CCOCRI>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
STATIONARY-PHASE MODELS; METHYL N-(2-NAPHTHYL)ALANINATE; MOLECULAR RECOGNITION; SEPARATION; CHEMISTRY; PROPYLAMIDE; ENANTIOMERS; COMPLEXES;
Keywords:
CHEMOMETRICS; COMPUTATIONAL CHEMICAL ANALYSIS; CHIRAL RECOGNITION; N-(R)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE BONDED AMINOPROPYL SILICA GEL; N-(S)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE BONDED AMINOPROPYL SILICA GEL; LIQUID CHROMATOGRAPHY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
21
Recensione:
Indirizzi per estratti:
Citazione:
T. Hanai et al., "COMPUTATIONAL CHEMICAL-ANALYSIS OF CHIRAL RECOGNITION IN LIQUID-CHROMATOGRAPHY, SELECTIVITY OF N-(R)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE AND N-(S)-1-(ALPHA-NAPHTHYL)ETHYLAMINO CARBONYL-(R OR S)-VALINE BONDED AMINOPROPYL SILICA-GELS", Analytica chimica acta, 332(2-3), 1996, pp. 213-224

Abstract

The chiral recognition of N-(R)-1-(alpha-naphthyl)ethylamino carbonyl-(R or S)-valine and N-(S)-1-(alpha-naphthyl)ethylamino carbonyl-(R orS)-valine bonded aminopropyl silica gels in liquid chromatography wasexamined using computational chemical analysis. The chiral recognition centers of the model chiral molecules were analyzed using the Extended Huckel CAChe(TM) program, and then the structures of hydrogen bond complexes with analytes were optimized by molecular mechanics calculations. The differences in final energy values indicated the elution order and enantiomer separation. The optimized density of chiral phases indicated that larger sized analytes may not slip into chiral recognition brush and form a one-to-one complex with the chiral recognition molecule used for analysis.

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Documento generato il 06/06/20 alle ore 17:37:09