About: Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function.

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About: Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	A series of different racemic aryloxyaminopropan-2-ol derivatives 1a-d-3a-d with potential -adrenergic blocking effects related to propanolol 4 and atenolol 5 was resolved by HPLC using Chiralcel OD-H and Chiralpak AD as chiral stationary phases. Mobile phases consisted of a hexane/alcohol (propan-2-ol or ethanol) mixture doped with a modifier (DEA or TFA). The retention behavior of the compounds depended on the position of the carbamate attached to the aryloxy moiety and on the length of the alkyl residue in the carbamate. Enantiomers of the title compounds were baseline separated with the separation factors and resolutions Rs varying in the range of 1.34-4.55 and 1.50-10.65, respectively. The chromatographic systems developed can be used for the determination of the enantiomeric purity of the title compounds. Molecular modelling using empirical molecular mechanics and ab initio quantum chemistry methods provided low-energy structures in which sites of potential interactions responsible for retention A series of different racemic aryloxyaminopropan-2-ol derivatives 1a-d-3a-d with potential -adrenergic blocking effects related to propanolol 4 and atenolol 5 was resolved by HPLC using Chiralcel OD-H and Chiralpak AD as chiral stationary phases. Mobile phases consisted of a hexane/alcohol (propan-2-ol or ethanol) mixture doped with a modifier (DEA or TFA). The retention behavior of the compounds depended on the position of the carbamate attached to the aryloxy moiety and on the length of the alkyl residue in the carbamate. Enantiomers of the title compounds were baseline separated with the separation factors and resolutions Rs varying in the range of 1.34-4.55 and 1.50-10.65, respectively. The chromatographic systems developed can be used for the determination of the enantiomeric purity of the title compounds. Molecular modelling using empirical molecular mechanics and ab initio quantum chemistry methods provided low-energy structures in which sites of potential interactions responsible for retention (en) Chromatografie a modelování nových aryloxyaminopropan-2-olů (cs)
Title	Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. (en) Chromatografie a modelování nových aryloxyaminopropan-2-olů (cs)
skos:prefLabel	Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. (en) Chromatografie a modelování nových aryloxyaminopropan-2-olů (cs)
skos:notation	RIV/00216224:14310/04:00009963!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany	139-146
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LN00A016), Z(MSM 163700003)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Navrátilová, Hana Koča, Jaroslav Kříž, Zdeněk
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	562793
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/04:00009963
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	aryloxyaminopropanols; enantioselective HPLC; Chiralcel OD-H; Chiralpak AD; chiral recognition; low-energy conformers; molecular modeling (en)
http://linked.open.../riv/klicoveSlovo	molecular modeling aryloxyaminopropanols Chiralcel OD-H Chiralpak AD enantioselective HPLC low-energy conformers chiral recognition
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[BAAD70064024]
http://linked.open...i/riv/nazevZdroje	Chirality
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	BIOMOLECULAR CENTER
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Koča, Jaroslav Navrátilová, Hana Kříž, Zdeněk Opatřilová, Radka
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20163700003
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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