Search results for " Selectivity"

showing 10 items of 98 documents

Optical grating recording in ChG thin film by electron beam

2013

Abstract Recording capabilities of As Se S chalcogenide (ChG) glasses using electron beam (EB) lithography have been investigated in this study. After exposure with EB the thin films of these inorganic glasses can be etched in alkaline amine solvent with high selectivity. High resolution, smooth shaped structures have been fabricated using ChG thin films. Height of developed pattern can be controlled through changing applied electron dose.

Materials scienceChalcogenidebusiness.industryfungiHigh selectivityAmine solventfood and beveragesHigh resolutionCondensed Matter PhysicsElectronic Optical and Magnetic Materialschemistry.chemical_compoundOpticschemistryMaterials ChemistryCeramics and CompositesCathode raysense organsThin filmbusinessLithographyDiffraction gratingJournal of Non-Crystalline Solids
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Porous organic cage compounds as highly potent affinity materials for sensing by quartz crystal microbalances.

2012

Porosity makes powerful affinity materials for quartz crystal microbalances. The shape-persistent organic cages and pores create superior affinity systems to existing ones for direct tracing of aromatic solvent vapors. A shape and size selectivity for the analytes is observed. These organic cages can be processed to thin films with highly reproducible sensing properties.

Materials scienceMiniaturizationMechanical EngineeringMineralogyQuartz crystal microbalanceEquipment DesignMicro-Electrical-Mechanical SystemsHydrocarbons AromaticCondensed Matter::Soft Condensed MatterCrystalEquipment Failure AnalysisAromatic solventChemical engineeringMechanics of MaterialsSize selectivityPhysics::Atomic and Molecular ClustersGeneral Materials ScienceGasesPhysics::Chemical PhysicsThin filmOrganic ChemicalsPorosityQuartzPorosityAdvanced materials (Deerfield Beach, Fla.)
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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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A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels–Alder and Polar Alder-ene Reactions

2018

Indexación: Scopus. Funding: Ministry of Economy and Competitiveness (MINECO) of the Spanish Government, project CTQ2016-78669-P (AEI/FEDER, UE) and Fondecyt (Chile) grant 1180348. Acknowledgments: This research was supported by the Ministry of Economy and Competitiveness (MINECO) of the Spanish Government, project CTQ2016-78669-P (AEI/FEDER, UE) and Fondecyt (Chile) grant 1180348. L.R.D. thanks Fondecyt for continuous support through Cooperación Internacional. M.R.-G. also thanks MINECO for a post-doctoral contract cofinanced by the European Social Fund (BES-2014-068258). The competitiveness of the BF3 Lewis acid (LA) catalyzed polar Diels–Alder (P-DA) and polar Alder-ene (P-AE) reactions …

Models MolecularDienePharmaceutical Science01 natural sciencesAnalytical ChemistryDioxanesAlder-ene reactionschemistry.chemical_compoundComputational chemistryDrug DiscoverySingle bondLewis acids and basesBoranesLewis AcidsCycloaddition ReactionChemistryStereoisomerismPrins reactionMolecular Electron Density Theory Diels-Alder reactionsChemistry (miscellaneous)ElectrophileThermodynamicsMolecular Medicinecompetitive reactionscompetitive reactions polar reactionsAllylic rearrangementElectrons010402 general chemistryArticleCatalysislcsh:QD241-441lcsh:Organic chemistryPseudocyclic selectivityFormaldehydeButadienespolar reactionsPhysical and Theoretical ChemistryEne reactionDiels-Alder reactionsPrins reaction pseudocyclic selectivity010405 organic chemistryOrganic ChemistryMolecular Electron Density TheoryPolar reactionsPhenanthrenespseudocyclic selectivity0104 chemical sciencesPrins reactionQuantum TheoryCompetitive reactionsMolecules
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Synthesis, Anti-Inflammatory Activity, and in Vitro Antitumor Effect of a Novel Class of Cyclooxygenase Inhibitors: 4-(Aryloyl)phenyl Methyl Sulfones

2010

Following our previous research on anti-inflammatory drugs (NSAIDs), we report on the design and synthesis of 4-(aryloyl)phenyl methyl sulfones. These substances were characterized for their capacity to inhibit cyclooxygenase (COX-1 and COX-2) isoenzymes. Molecular modeling studies showed that the methylsulfone group of these compounds was inserted deep in the pocket of the human COX-2 binding site, in an orientation that precludes hydrogen bonding with Arg120, Ser353, and Tyr355 through their oxygen atoms. The N-arylindole 33 was the most potent inhibitor of COX-2 and also the most selective (COX-1/COX-2 IC(50) ratio was 262). The indole derivative 33 was further tested in vivo for its ant…

Models MolecularIndolesMolecular modelCell SurvivalStereochemistrymedicine.drug_classAntineoplastic AgentsAnti-inflammatoryStructure-Activity RelationshipIn vivoCell Line TumorDrug DiscoverymedicineAnimalsHumansCyclooxygenase InhibitorsSulfonesBinding siteIC50Cell ProliferationIndole testCyclooxygenase 2 InhibitorsbiologyChemistryStereoisomerismSettore CHIM/08 - Chimica FarmaceuticaIn vitroRats4-(Aryloyl)phenyl methyl sulfones anti-inflammatory activity antitumor effect COX-1/COX-2 selectivityCyclooxygenase 1biology.proteinThermodynamicsMolecular MedicineCyclooxygenaseDrug Screening Assays AntitumorHydrophobic and Hydrophilic InteractionsJournal of Medicinal Chemistry
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alpha 11beta 1 integrin recognizes the GFOGER sequence in interstitial collagens.

2002

The integrins alpha(1)beta(1), alpha(2)beta(1), alpha(10)beta(1), and alpha(11)beta(1) are referred to as a collagen receptor subgroup of the integrin family. Recently, both alpha(1)beta(1) and alpha(2)beta(1) integrins have been shown to recognize triple-helical GFOGER (where single letter amino acid nomenclature is used, O = hydroxyproline) or GFOGER-like motifs found in collagens, despite their distinct binding specificity for various collagen subtypes. In the present study we have investigated the mechanism whereby the latest member in the integrin family, alpha(11)beta(1), recognizes collagens using C2C12 cells transfected with alpha(11) cDNA and the bacterially expressed recombinant a…

Models MolecularIntegrinsDNA ComplementaryReceptors CollagenPhenylalanineIntegrinAmino Acid MotifsPlasma protein bindingBiochemistrylaw.inventionCollagen receptorMiceProtein structurelawCell AdhesionAnimalsHumansMagnesiumMolecular BiologyBinding selectivityCells Culturedchemistry.chemical_classificationbiologyDose-Response Relationship DrugCell BiologyPrecipitin TestsRecombinant ProteinsAmino acidProtein Structure TertiaryKineticschemistryBiochemistrybiology.proteinRecombinant DNACalciumCollagenPeptidesType I collagenProtein BindingThe Journal of biological chemistry
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2NH and 3OH are crucial structural requirements in sphingomyelin for sticholysin II binding and pore formation in bilayer membranes.

2013

AbstractSticholysin II (StnII) is a pore-forming toxin from the sea anemone Stichodactyla heliantus which belongs to the large actinoporin family. The toxin binds to sphingomyelin (SM) containing membranes, and shows high binding specificity for this lipid. In this study, we have examined the role of the hydrogen bonding groups of the SM long-chain base (i.e., the 2NH and the 3OH) for StnII recognition. We prepared methylated SM-analogs which had reduced hydrogen bonding capability from 2NH and 3OH. Both surface plasmon resonance experiments, and isothermal titration calorimetry measurements indicated that StnII failed to bind to bilayers containing methylated SM-analogs, whereas clear bind…

Models MolecularPore Forming Cytotoxic ProteinsMembrane permeabilizationLipid BilayersBiophysicsCalorimetryta3111Biochemistrychemistry.chemical_compoundCnidarian VenomsAnimalsComputer SimulationLipid bilayerta116Binding selectivityUnilamellar LiposomesPhosphocholineBinding SitesMolecular StructureChemistryHydrogen bondVesicleta1182Isothermal titration calorimetryHydrogen BondingCell BiologySurface Plasmon ResonanceProtein Structure TertiarySphingomyelinsKineticsMembraneSea AnemonesBiochemistryMolecular dockingIsothermal titration calorimetryBiophysicsPhosphatidylcholinesSphingomyelinProtein BindingBiochimica et biophysica acta
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A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticance…

2019

The [3 + 2] cycloaddition (32CA) reaction of an &alpha

Models Molecular[3 + 2] cycloaddition reactionsDouble bondNitrilePharmaceutical ScienceAntineoplastic Agentsdiastereofacial selectivityArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryComputational chemistryDrug DiscoveryReactivity (chemistry)Physical and Theoretical ChemistryChemoselectivitychemistry.chemical_classificationCycloaddition ReactionMolecular StructureOrganic Chemistrymolecular electron density theoryRegioselectivityStereoisomerismIsoxazolesCycloadditionα-santoninchemistryChemistry (miscellaneous)regioselectivitynitrile oxidesMolecular MedicineDensity functional theorySantoninDerivative (chemistry)Molecules
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Molecular Sensors for Moisture Detection by Mössbauer Spectroscopy

2002

A parameter of importance in various industrial and commercial applications is sensitivity to moisture. A new class of molecular sensors which enable the qualitative and quantitative determination of air moisture (high selectivity and sensitivity) by application of Mossbauer spectroscopy as the probe technique has been investigated. The electronic properties of the iron-containing sensor depend upon the presence of moisture which is taken up by it and this process is accompanied by a change in electronic spin ground state which can be detected by Mossbauer spectroscopy. The sensor is suitable for in-field and industrial application using the recently developed Mossbauer spectrometer MIMOS I…

MoistureSpectrometerChemistryMolecular sensorHigh selectivityMössbauer spectroscopyAnalytical chemistryElectronic spinSensitivity (control systems)Ground statePhysics::Atmospheric and Oceanic Physics
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A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of Pseudo(mono)radical Azomethine Ylides with Phenyl Vinyl Sulphone

2022

The [3+2] cycloaddition (32CA) reaction of an azomethine ylide (AY), derived from isatin and L-proline, with phenyl vinyl sulphone has been studied within Molecular Electron Density Theory (MEDT) at the ωB97X-D/6-311G(d,p) level. ELF topological analysis of AY classifies it as a pseudo(mono)radical species with two monosynaptic basins at the C1 carbon, integrating a total of 0.76 e. While vinyl sulphone has a strong electrophilic character, AY is a supernucleophile, suggesting a high polar character and low activation energy for the reaction. The nucleophilic Parr functions indicate that the pseudoradical C1 carbon is the most nucleophilic center. The 32CA reaction presents an activat…

Molecular Electron Density Theory; azomethine ylides; [3+2] cycloaddition reaction; molecular mechanism; selectivity; reactivityGeneral Medicine
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