Search results for "SELECTIVITY"

showing 10 items of 1148 documents

Preparation of Polymer-Supported Polyazamacrocycles. The Role of the Polymeric Matrix in the Preparation of Polymer-Supported Polyazamacrocycles

2000

Different approaches have been studied for the preparation of resins containing different polyazamacrocycles. Preparation of monolithic resins by polymerization of vinylic derivatives of the corresponding macrocycles is shown to be a more versatile strategy for this purpose. The use of energy-dispersive analysis by X-ray has revealed to be a very useful tool for the rapid evaluation of the interaction of those materials with both anions and cations and has allowed the corresponding selectivity trends to be obtained in a fast and simple way. Important effects of the polymeric matrix are observed in some cases.

Methacrylate copolymerChemistryGeneral Chemical Engineeringtechnology industry and agriculturePolymeric matrixGeneral ChemistryIndustrial and Manufacturing EngineeringIonic selectivityMetalPolymerizationvisual_artPolymer chemistryvisual_art.visual_art_mediumIon-exchange resinSelectivityPolymer supportedIndustrial & Engineering Chemistry Research
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First Diastereoselective Synthesis of (−)-Methyl Thyrsiflorin A, (−)-Methyl Thyrsiflorin B Acetate, and (−)-Thyrsiflorin C

2000

An efficient procedure for the synthesis of scopadulan diterpenes, using (+)-podocarp-8(14)-en-13-one 13 as starting material, is reported. This procedure has been used for the diastereoselective synthesis of (-)-methyl thyrsiflorin A (8), (-)-methyl thyrsiflorin B acetate (9), and (-)-thyrsiflorin C (7). Key steps in our strategy are the intramolecular cyclopropanation of diazoketone 19 and the regioselective cleavage of the cyclopropane ring.

Methyl thyrsiflorin B acetatePlants MedicinalMolecular StructureCyclopropanationSpectrum AnalysisOrganic ChemistryRegioselectivityStereoisomerismRing (chemistry)Cleavage (embryo)Medicinal chemistryCyclopropanechemistry.chemical_compoundThyrsiflorin CchemistryIntramolecular forceDiterpenesThe Journal of Organic Chemistry
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Improved Regioselectivity in Pyrazole Formation through the Use of Fluorinated Alcohols as Solvents: Synthesis and Biological Activity of Fluorinated…

2008

The preparation of N-methylpyrazoles is usually accomplished through reaction of a suitable 1,3-diketone with methylhydrazine in ethanol as the solvent. This strategy, however, leads to the formation of regioisomeric mixtures of N-methylpyrazoles, which sometimes are difficult to separate. We have determined that the use of fluorinated alcohols such as 2,2,2-trifluoroethanol (TFE) and 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) as solvents dramatically increases the regioselectivity in the pyrazole formation, and we have used this modification in a straightforward synthesis of fluorinated analogs of Tebufenpyrad with acaricide activity. Fil: Fustero, Santos. Universidad de Valencia; España Fil…

MethylhydrazineFLUORINATED PYRAZOLFluorine CompoundsAlcoholPyrazoleMethylationChemical synthesisPYRAZOLchemistry.chemical_compoundAnimalsOrganic chemistryAcariDiketoneTebufenpyradMolecular StructureChemistryOrganic ChemistryCiencias QuímicasRegioselectivityStereoisomerismFLUOROUSPhenylhydrazinesSolventQuímica OrgánicaAlcoholsSolventsPyrazolesTEBUFENPYRADCIENCIAS NATURALES Y EXACTASThe Journal of Organic Chemistry
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Oligo(1,4-phenylenepyrazole-3,5-diyl)s

2003

The bifunctional nucleophile methylhydrazine reacts in an alkaline medium in a regioselective mode with chalcones to yield 2-pyrazolines, which can be oxidized by DDQ to the corresponding 1H-pyrazoles. From oligo(chalcone)s this reaction yields cross-conjugated compounds with an alternating sequence of 1,4-disubstituted benzene rings and 3,5-disubstituted 1H-pyrazole rings. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

Methylhydrazinechemistry.chemical_compoundChalconechemistryNucleophileYield (chemistry)Organic ChemistryPolymer chemistryRegioselectivityPhysical and Theoretical ChemistryBenzeneBifunctionalEuropean Journal of Organic Chemistry
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Electrical Pumping of Potassium Ions Against an External Concentration Gradient in a Biological Ion Channel

2013

We show experimentally and theoretically that significant currents can be obtained with a biological ion channel, the OmpF porin of Escherichia coli, using zero-average potentials as driving forces. The channel rectifying properties can be used to pump potassium ions against an external concentration gradient under asymmetric pH conditions. The results are discussed in terms of the ionic selectivity and rectification ratio of the channel. The physical concepts involved may be applied to separation processes with synthetic nanopores and to bioelectrical phenomena. (C) 2013 AIP Publishing LLC.

MicroorganismosPhysics and Astronomy (miscellaneous)PotassiumSeparaciónRatchetAnalytical chemistryBiophysicschemistry.chemical_elementRATCHETPotassium ionsFenómenos bioeléctricosIonSeparationBioelelectric phenomenaRectificationPORINVOLTAGEPotasiomicroorganismsIon channelChemistrypHNANOFLUIDIC DIODEBiomembrane transportIones positivosRECTIFICATIONOMPFTransporte de biomembranasCanales iónicosNanoporeSELECTIVITYPositive ionsFISICA APLICADAIon channelsPotassiumSelectivityConcentration gradientCommunication channelNANOPORES
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Selective Gas and Vapor Sorption and Magnetic Sensing by an Isoreticular Mixed-Metal–Organic Framework

2012

A novel isoreticular oxamato-based manganese(II)-copper(II) open metal-organic framework H(2)O@iso1 featuring a pillared square/octagonal layer structure with alternating open and closed octagonal pores has been rationally prepared. The open-framework topology is responsible for a large selectivity in the separation of small gas (CO(2) over CH(4)) and vapor molecules (CH(3)OH over CH(3)CN and CH(3)CH(2)OH). H(2)O@iso1 displays a long-range three-dimensional ferromagnetic ordering with a drastic variation of the critical temperature as a function of the guest molecule [T(C)2.0 K (CO(2)@iso1 and CH(4)@iso1) and T(C) = 6.5 (CH(3)OH@iso1) and 21.0 K (H(2)O@iso1)].

Mixed metalChemistryInorganic chemistrychemistry.chemical_elementSorptionGeneral ChemistryManganeseBiochemistryCatalysisColloid and Surface ChemistryFerromagnetismMoleculePhysical chemistrySelectivityLayer (electronics)Topology (chemistry)Journal of the American Chemical Society
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A Model of Smart G-Quadruplex Ligand

2012

An unprecedented strategy to control the quadruplex- vs duplex-DNA selectivity of a ligand is reported. We designed a compound whose structure can rearrange when it interacts with a G-quadruplex, thereby controlling its affinity. Thus, the first "smart G-quadruplex ligand" is reported, since this ligand experiences a structural change in the presence of quadruplexes but not in the presence of duplexes, ensuring a high level of quadruplex selectivity.

Models Molecular0303 health sciencesMagnetic Resonance SpectroscopyDose-Response Relationship DrugStereochemistryLigandChemistryGeneral ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryG-quadruplexLigands01 natural sciencesBiochemistryCatalysis0104 chemical sciencesG-QuadruplexesSmall Molecule Libraries03 medical and health sciencesColloid and Surface Chemistry[CHIM]Chemical Sciencesheterocyclic compoundsSelectivityComputingMilieux_MISCELLANEOUS030304 developmental biology
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Reaction between Indazole and Pd-Bound Isocyanides-A Theoretical Mechanistic Study

2018

The mechanism of the addition of indazole (Ind)&mdash

Models Molecular3003Activation of small moleculesIndazolesisocyanideIsocyanidePharmaceutical ScienceDFT calculationProtonation010402 general chemistryDFT calculationsactivation of small molecule01 natural sciencesMedicinal chemistryArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundDeprotonationNucleophilelcsh:Organic chemistryTheoreticalModelsDrug DiscoveryNitrilesPhysical and Theoretical ChemistryMechanical PhenomenaIndazoleNucleophilic additionCyanidesMolecular Structure010405 organic chemistrynitrileDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryRegioselectivityMolecularIsocyanidesModels TheoreticalTautomer0104 chemical sciencesnucleophilic additionchemistryChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaMolecular Medicinereaction mechanismActivation of small molecules; DFT calculations; Isocyanides; Nitriles; Nucleophilic addition; Reaction mechanism; Cyanides; Indazoles; Models Molecular; Molecular Structure; Palladium; Mechanical Phenomena; Models Theoretical; Analytical Chemistry; Chemistry (miscellaneous); Molecular Medicine; 3003; Drug Discovery3003 Pharmaceutical Science; Physical and Theoretical Chemistry; Organic ChemistryPalladium
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Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site

2003

Epoxide hydrolases are essential for the processing of epoxide-containing compounds in detoxification or metabolism. The classic epoxide hydrolases have an alpha/beta hydrolase fold and act via a two-step reaction mechanism including an enzyme-substrate intermediate. We report here the structure of the limonene-1,2-epoxide hydrolase from Rhodococcus erythropolis, solved using single-wavelength anomalous dispersion from a selenomethionine-substituted protein and refined at 1.2 A resolution. This enzyme represents a completely different structure and a novel one-step mechanism. The fold features a highly curved six-stranded mixed beta-sheet, with four alpha-helices packed onto it to create a …

Models MolecularAFSG Stafafdelingen (WUATV)10050 Institute of Pharmacology and Toxicologydrug protein bindingEnantioselectivityEpoxide hydrolaseCrystallography X-Rayuncultured actinomyceteCatalytic Domain2400 General Immunology and Microbiologyalpha helixRhodococcuscholesterol epoxide hydrolasenaphthalene 12-dioxygenasedcl14limonene 12 epoxide hydrolaseEpoxide hydrolaseBacteria (microorganisms)delta(5)-3-ketosteroid isomeraseEpoxide HydrolasesLimonene-12-epoxide hydrolaseGeneral Neurosciencearticle2800 General NeuroscienceActinobacteria (class)Articlesagrobacterium-radiobacterEnzyme structureRecombinant Proteinsunclassified drugenzyme structurereaction analysisBiochemistrypriority journalenzyme active siteMechanism2-dioxygenaseDimerizationBiotechnologychemical reactioncrystal structureaspergillus-nigermacromolecular structuresStereochemistrybeta sheetvalpromideMolecular Sequence Data610 Medicine & healthGenetics and Molecular BiologyBiologyGeneral Biochemistry Genetics and Molecular BiologyBacterial Proteinssite directed mutagenesis1300 General Biochemistry Genetics and Molecular BiologyHydrolase1312 Molecular BiologyAmino Acid SequencedetoxificationRhodococcus erythropolisBiologyMonoterpene degradationMolecular Biologyprotein data-bankenzyme substrate complexEnzyme substrate complexnonhumancatalysisSequence Homology Amino AcidGeneral Immunology and Microbiologybacterial enzymeActive sitecrystal-structureAFSG Staff Departments (WUATV)enzyme metabolismProtein SubunitsenzymeEpoxide HydrolasesGeneral Biochemistrybiology.proteinMutagenesis Site-Directed570 Life sciences; biologyselenomethioninenaphthalene 1Alpha helix
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Tandem Nucleophilic Addition−Intramolecular Aza-Michael Reaction: Facile Synthesis of Chiral Fluorinated Isoindolines

2010

A highly stereoselective synthesis of fluorinated 1,3-disubstituted isoindolines is described. To this end, a tandem reaction consisting of a diastereoselective addition of fluorinated nucleophiles to Ellman's N-(tert-butanesulfinyl)imines followed by an intramolecular aza-Michael reaction has been developed. This strategy allows for the construction of isoindolines bearing several degrees of fluorination (mono-, di-, or trifluoromethyl as well as heavier fluorinated groups). In the majority of all cases, the products are formed as single isomers.

Models MolecularAza CompoundsIndolesTrifluoromethylNucleophilic additionHalogenationMolecular StructureTandemHydrolysisOrganic ChemistryStereoisomerismIsoindolesBiochemistryMedicinal chemistrychemistry.chemical_compoundCascade reactionchemistryNucleophileIntramolecular forceMichael reactionOrganic chemistryStereoselectivityPhysical and Theoretical ChemistryOrganic Letters
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