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Article: An effective metallohydrolase model with a supramolecular environment: structures, properties, and activities.

TitleAn effective metallohydrolase model with a supramolecular environment: structures, properties, and activities.
Authors
Issue Date2007
PublisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistry
Citation
Chemistry (Weinheim An Der Bergstrasse, Germany), 2007, v. 13 n. 8, p. 2402-2409 How to Cite?
AbstractA supramolecular inclusion complex, [Zn(L1)(H2O)2(beta-CD)](ClO4)2.9.5 H2O (1) was synthesized and characterized structurally and its first-order active species for hydrolysis of esters, [Zn(L1)(H2O)(OH)(beta-CD)](ClO4) (2), was isolated (L1=4-(4'-tert-butylbenzyl)diethylenetriamine; beta-CD=beta-cyclodextrin). The apparent inclusion stability constant of the host and the guest measured in aqueous solution was (5.91+/-0.03)x10(3) for 1. The measured values of the first- and second-order pK(a) values of coordinated water molecules were 8.20+/-0.08 and 10.44+/-0.08, respectively, and were assigned to water molecules occupying the plane and remaining axial positions in a distorted trigonal bipyramid of the [Zn(L1)(H2O)2(beta-CD)]2+ sphere according to the structural analysis of [Zn(L2)(H2O)}2(mu-OH)](ClO4)3 (3) (L2=4-benzyldiethylenetriamine). p-Nitrophenyl acetate (pNA) hydrolysis catalyzed by 1 at pH 7.5-9.1 and 25.0+/-0.1 degrees C exhibited a first-order reaction with various concentrations of pNA and 1, but the pH profile did not indicate saturated kinetic behavior. Second-order rate constants of 0.59 and 24.0 M(-1) s(-1) were calculated for [Zn(L1)(H2O)(OH)(beta-CD)]+ and [Zn(L1)(OH)2(beta-CD)], respectively; the latter exhibited a potent catalytic activity relative to the reported mononuclear and polynuclear Zn(II) species.
Persistent Identifierhttp://hdl.handle.net/10722/168107
ISSN
2015 Impact Factor: 5.771
2015 SCImago Journal Rankings: 2.323
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorZhou, YHen_US
dc.contributor.authorFu, Hen_US
dc.contributor.authorZhao, WXen_US
dc.contributor.authorTong, MLen_US
dc.contributor.authorSu, CYen_US
dc.contributor.authorSun, Hen_US
dc.contributor.authorJi, LNen_US
dc.contributor.authorMao, ZWen_US
dc.date.accessioned2012-10-08T03:15:10Z-
dc.date.available2012-10-08T03:15:10Z-
dc.date.issued2007en_US
dc.identifier.citationChemistry (Weinheim An Der Bergstrasse, Germany), 2007, v. 13 n. 8, p. 2402-2409en_US
dc.identifier.issn0947-6539en_US
dc.identifier.urihttp://hdl.handle.net/10722/168107-
dc.description.abstractA supramolecular inclusion complex, [Zn(L1)(H2O)2(beta-CD)](ClO4)2.9.5 H2O (1) was synthesized and characterized structurally and its first-order active species for hydrolysis of esters, [Zn(L1)(H2O)(OH)(beta-CD)](ClO4) (2), was isolated (L1=4-(4'-tert-butylbenzyl)diethylenetriamine; beta-CD=beta-cyclodextrin). The apparent inclusion stability constant of the host and the guest measured in aqueous solution was (5.91+/-0.03)x10(3) for 1. The measured values of the first- and second-order pK(a) values of coordinated water molecules were 8.20+/-0.08 and 10.44+/-0.08, respectively, and were assigned to water molecules occupying the plane and remaining axial positions in a distorted trigonal bipyramid of the [Zn(L1)(H2O)2(beta-CD)]2+ sphere according to the structural analysis of [Zn(L2)(H2O)}2(mu-OH)](ClO4)3 (3) (L2=4-benzyldiethylenetriamine). p-Nitrophenyl acetate (pNA) hydrolysis catalyzed by 1 at pH 7.5-9.1 and 25.0+/-0.1 degrees C exhibited a first-order reaction with various concentrations of pNA and 1, but the pH profile did not indicate saturated kinetic behavior. Second-order rate constants of 0.59 and 24.0 M(-1) s(-1) were calculated for [Zn(L1)(H2O)(OH)(beta-CD)]+ and [Zn(L1)(OH)2(beta-CD)], respectively; the latter exhibited a potent catalytic activity relative to the reported mononuclear and polynuclear Zn(II) species.en_US
dc.languageengen_US
dc.publisherWiley - V C H Verlag GmbH & Co KGaA. The Journal's web site is located at http://www.wiley-vch.de/home/chemistryen_US
dc.relation.ispartofChemistry (Weinheim an der Bergstrasse, Germany)en_US
dc.subject.meshBinding Sitesen_US
dc.subject.meshCatalysisen_US
dc.subject.meshCrystallography, X-Rayen_US
dc.subject.meshHydrolysisen_US
dc.subject.meshKineticsen_US
dc.subject.meshMetalloendopeptidases - Chemistry - Metabolismen_US
dc.subject.meshModels, Chemicalen_US
dc.subject.meshMolecular Mimicryen_US
dc.subject.meshMolecular Structureen_US
dc.subject.meshNitrophenols - Metabolismen_US
dc.subject.meshOxidation-Reductionen_US
dc.subject.meshPotentiometryen_US
dc.subject.meshWater - Chemistryen_US
dc.subject.meshZinc Compounds - Chemistry - Metabolismen_US
dc.subject.meshBeta-Cyclodextrins - Chemistry - Metabolismen_US
dc.titleAn effective metallohydrolase model with a supramolecular environment: structures, properties, and activities.en_US
dc.typeArticleen_US
dc.identifier.emailSun, H:hsun@hkucc.hku.hken_US
dc.identifier.authoritySun, H=rp00777en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1002/chem.200601302en_US
dc.identifier.pmid17163565-
dc.identifier.scopuseid_2-s2.0-34247556614en_US
dc.identifier.hkuros132930-
dc.identifier.volume13en_US
dc.identifier.issue8en_US
dc.identifier.spage2402en_US
dc.identifier.epage2409en_US
dc.identifier.isiWOS:000244805500026-
dc.publisher.placeGermanyen_US
dc.identifier.scopusauthoridZhou, YH=13104031900en_US
dc.identifier.scopusauthoridFu, H=55231387400en_US
dc.identifier.scopusauthoridZhao, WX=15924710900en_US
dc.identifier.scopusauthoridTong, ML=7202033871en_US
dc.identifier.scopusauthoridSu, CY=7402819718en_US
dc.identifier.scopusauthoridSun, H=7404827446en_US
dc.identifier.scopusauthoridJi, LN=7201376856en_US
dc.identifier.scopusauthoridMao, ZW=7202633935en_US

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