Search results for "combinatorial"

showing 10 items of 1208 documents

New concepts in multidentate ligand chemistry: effects of multidentarity on catalytic and spectroscopic properties of ferrocenyl polyphosphines.

2008

This tutorial review devoted to ligand chemistry deals with the design and properties of ferrocenyl polyphosphines, an original class of multidentate ligands. The development of a varied library of ferrocenyl tetra-, tri- and diphosphine ligands is reviewed. The multidentate nature of these species has led to unique spectroscopic and catalytic properties, in which the spatial proximity of phosphorus atoms is crucial. Regarding their catalytic applications, the key issues of catalyst longevity and ultralow catalyst loadings are discussed. Another part is concerned with fundamental advances gained in physical chemistry for structure elucidation by the study of the intriguing “through-space” N…

Models MolecularDenticityMagnetic Resonance SpectroscopyMetallocenesferrocenyl polyphosphinesSuzukiMolecular ConformationSonogashira coupling010402 general chemistryLigands01 natural sciencescatalystsCatalysisCatalysis[ CHIM.CATA ] Chemical Sciences/Catalysisthrough-space interactionOrganometallic CompoundsOrganic chemistryCombinatorial Chemistry Techniques[CHIM.COOR]Chemical Sciences/Coordination chemistryFerrous CompoundsAminationComputingMilieux_MISCELLANEOUSGroup 2 organometallic chemistryCombinatorial Chemistry Techniquesnuclear spin-spin coupling010405 organic chemistryChemistryLigand[ CHIM.COOR ] Chemical Sciences/Coordination chemistrySonogashiraaminationStereoisomerismGeneral ChemistryNuclear magnetic resonance spectroscopy[CHIM.CATA]Chemical Sciences/CatalysisReference StandardsCombinatorial chemistry0104 chemical sciencesmultidentarityHeckChemical Society reviews
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Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichag…

2012

Chagas disease chemotherapy, currently based on only two drugs, nifurtimox and benznidazole, is far from satisfactory and therefore the development of new antichagasic compounds remains an important goal. On the basis of antichagasic properties previously described for some 1,2-disubstituted 5-nitroindazolin-3- ones (21, 33) and in order to initiate the optimization of activity of this kind of compounds, we have prepared a series of related analogs (22-32, 34-38, 58 and 59) and tested in vitro these products against epimastigote forms of Trypanosoma cruzi. 2-Benzyl-1-propyl (22), 2-benzyl-1-isopropyl (23) and 2-benzyl-1-butyl (24) derivatives have shown high trypanocidal activity and low un…

Models MolecularDrugChagas diseaseIndazolesStereochemistryTrypanosoma cruzimedia_common.quotation_subjectStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity TestsDrug DiscoverymedicineNifurtimoxTrypanosoma cruziBiological evaluationmedia_commonPharmacologyIndazoleDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryGeneral Medicinemedicine.diseasebiology.organism_classificationTrypanocidal AgentsCombinatorial chemistrychemistryBenznidazolemedicine.drugEuropean Journal of Medicinal Chemistry
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Thioetherification of Chloroheteroarenes: A Binuclear Catalyst Promotes Wide Scope and High Functional-Group Tolerance

2014

A constrained binuclear palladium catalyst system affords selective thioetherification of a wide range of functionalized arenethiols with chloroheteroaromatic partners with the highest turnover numbers (TONs) reported to date and tolerates a large variety of reactive functions. The scope of this system includes the coupling of thiophenols with six- and five-membered 2-chloroheteroarenes (i.e., functionalized pyridine, pyrazine, quinoline, pyrimidine, furane, and thiazole) and 3-bromoheteroarenes (i.e., pyridine and furane). Electron-rich congested thiophenols and fluorinated thiophenols are also suitable partners. The coupling of unprotected amino-2-chloropyridines with thiophenol and the s…

Models MolecularHalogenationPyrazinePhosphinesPyridineschemistry.chemical_elementSulfidesLigandsCatalysisCatalysischemistry.chemical_compoundPhenolsPyridineOrganic chemistrySulfhydryl CompoundsFuransThiazoleThiophenolOrganic ChemistryQuinolineGeneral ChemistryCombinatorial chemistryThiazoleschemistryPyrazinesFunctional groupQuinolinesPalladiumPalladiumChemistry - A European Journal
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Temperature-controlled release by changes in the secondary structure of peptides anchored onto mesoporous silica supports

2014

Changes in the conformation of a peptide anchored onto the external surface of mesoporous silica nanoparticles have been used to design novel temperature-controlled delivery systems.

Models MolecularINGENIERIA DE LA CONSTRUCCIONSurface PropertiesSilicon dioxideNanoparticlePeptideProtein Structure SecondaryCatalysischemistry.chemical_compoundQUIMICA ORGANICAMaterials ChemistryCombinatorial libraryParticle Sizeskin and connective tissue diseasesPorosityProtein secondary structurechemistry.chemical_classificationResponsive Controlled-ReleaseQUIMICA INORGANICATemperatureMetals and AlloysGeneral ChemistryMesoporous silicaSilicon DioxideCombinatorial chemistryControlled releaseValvesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChemistrychemistryChemical engineeringCeramics and CompositesNanoparticlessense organsParticle sizePeptidesAmino-acidsPorosity
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Electrochemical detection of the 2-isobutyl-3-methoxypyrazine model odorant based on odorant-binding proteins: The proof of concept

2014

Abstract We developed an electrochemical assay for the detection of odorant molecules based on a rat odorant-binding protein (rOBP3). We demonstrated that rOBP3 cavity binds 2-methyl-1,4-naphtoquinone (MNQ), an electrochemical probe, as depicted from the decrease of its electrochemical signal, and deduced the dissociation constant, Kd MNQ  = 0.5(± 0.2) μM. The amount of MNQ displaced from rOBP3 by 2-isobutyl-3-methoxypyrazine (IBMP), a model odorant molecule, was measured using square-wave voltammetry. The release of MNQ by competition led to an increase of the electrochemical response. In addition, this method allowed determination of the dissociation constant of rOBP3 for IBMP, Kd IBMP  =…

Models MolecularIsothermal microcalorimetryOdorant bindingBiophysicsAnalytical chemistryCalorimetryReceptors OdorantElectrochemistryBinding CompetitiveCaffeic AcidsElectrochemistryPhysical and Theoretical ChemistryVoltammetryBinding SitesChemistryVitamin K 3Electrochemical TechniquesGeneral MedicineCombinatorial chemistryFluorescenceRecombinant ProteinsDissociation constantImmobilized ProteinsSpectrometry FluorescencePyrazinesCalibrationTitrationBiosensorBioelectrochemistry
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Monoester copillar[5]arenes: synthesis, unusual self-inclusion behavior, and molecular recognition.

2012

The self-inclusion behavior of monoester copillar[5]arenes depends on the position of the ester group, which causes different guest selectivities. Monoester copillar[5]arenes bearing an acetate chain can form stable self-inclusion complexes in low- and high-concentration solution and exhibit high guest selectivity. However, a monoester copillar[5]arene bearing a butyrate chain can not form a self-inclusion complex and exhibits low guest selectivity. Thus, a new class of stable self-inclusion complexes of copillar[5]arenes was explored to improve the selectivity of molecular recognition.

Models MolecularMagnetic Resonance SpectroscopyMolecular StructureChemistryStereochemistryOrganic ChemistryMolecular ConformationGeneral ChemistryNuclear magnetic resonance spectroscopyAcetatesCrystallography X-RayCombinatorial chemistryCatalysisMolecular conformationMolecular recognitionMoleculePolycyclic CompoundsHost–guest chemistrySelectivityChemistry (Weinheim an der Bergstrasse, Germany)
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Cationic Nanohydrogel Particles as Potential siRNA Carriers for Cellular Delivery

2012

Oligonucleotides such as short, double-stranded RNA (siRNA) or plasmid DNA (pDNA) promise high potential in gene therapy. For pharmaceutical application, however, adequate drug carriers are required. Among various concepts progressing in the market or final development, nanosized hydrogel particles may serve as novel transport media especially for siRNA. In this work, a new concept of synthesizing polymeric cationic nanohydrogels was developed, which offers a promising strategy to complex and transport siRNA into cells. For this purpose, amphiphilic reactive ester block copolymers were synthesized by RAFT polymerization of pentafluorophenyl methacrylate as reactive ester monomer together wi…

Models MolecularMaterials scienceMolecular ConformationGeneral Physics and AstronomyMethacrylateCell Linechemistry.chemical_compoundAmphiphilePolymer chemistryAnimalsGeneral Materials ScienceReversible addition−fragmentation chain-transfer polymerizationAminesRNA Small Interferingchemistry.chemical_classificationDrug CarriersGeneral EngineeringCationic polymerizationBiological TransportEstersHydrogelsPolymerCombinatorial chemistryNanostructuresRatsMonomerchemistrySolventsDrug carrierHydrophobic and Hydrophilic InteractionsEthylene glycolACS Nano
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Binding Properties of HABA-Type Azo Derivatives to Avidin and Avidin-Related Protein 4

2006

Summary The chicken genome encodes several biotin-binding proteins, including avidin and avidin-related protein 4 (AVR4). In addition to D -biotin, avidin binds an azo dye compound, 4-hydroxyazobenzene-2-carboxylic acid (HABA), but the HABA-binding properties of AVR4 are not yet known. Differential scanning calorimetry, UV/visible spectroscopy, and molecular modeling were used to analyze the binding of 15 azo molecules to avidin and AVR4. Significant differences are seen in azo compound preferences for the two proteins, emphasizing the importance of the loop between strands β3 and β4 for azo ligand recognition; information on these loops is provided by the high-resolution (1.5 A) X-ray stru…

Models MolecularMolecular modelOvalbuminProtein ConformationClinical BiochemistryCrystallography X-RayLigandsSensitivity and SpecificityBiochemistryAvian Proteinschemistry.chemical_compoundUltraviolet visible spectroscopyBiotinDrug DiscoveryAnimalsMolecular BiologyGlycoproteinschemistry.chemical_classificationPharmacologyAzo compoundBinding SitesbiologyCalorimetry Differential ScanningMolecular StructureStereoisomerismGeneral MedicineLigand (biochemistry)AvidinCombinatorial chemistryCHEMBIOchemistryBiochemistryBiotinylationbiology.proteinMolecular MedicineSpectrophotometry UltravioletGlycoproteinAzo CompoundsChickensAvidinChemistry & Biology
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Synthesis of site-heterologous haptens for high-affinity anti-pyraclostrobin antibody generation.

2011

The design and synthesis of functional chemical derivatives of small organic molecules is usually a key step for the intricate production of a variety of bioconjugates. In this respect, the derivatization site at which the spacer arm is introduced in immunizing conjugates constitutes a highly critical parameter for the generation of high-affinity and selective antibodies. However, due to the usual complexity of the required synthetic procedures, the appropriate comparison of alternative tethering positions has often been neglected. In the present study, meticulous strategies were followed to prepare synthetic derivatives of pyraclostrobin with the same linkers located at diverse rationally-…

Models MolecularMolecular modelStereochemistryHeterologousBiochemistryAntibodieschemistry.chemical_compoundAntibody generationMoleculePhysical and Theoretical ChemistryImmunoassaysDerivatizationBioconjugationMolecular StructureOrganic ChemistryStrobilurinsCombinatorial chemistryAffinitieschemistryComputer assisted molecular modelingPyrazolesCarbamatesHaptenHaptensConjugateOrganicbiomolecular chemistry
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Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.

2012

The strong oxidative power of molybdenum pentachloride gives rise to an efficient oxidative C-C bond formation of benzil derivatives to the corresponding 9,10-phenanthrenequinones. A highly complementary method to previous approaches was developed. The required derivatives are accessible in a modular fashion and in excellent yields. By this approach the orchid-derived natural product cypripediquinone A was synthesized for the first time.

Models MolecularMolybdenumNatural productMolecular StructureOxidative CouplingOrganic ChemistryBond formationMolybdenum pentachloridePhenanthrenesPhotochemistryBiochemistryCombinatorial chemistrychemistry.chemical_compoundchemistryChloridesMoleculeOxidative coupling of methaneBenzilPhysical and Theoretical ChemistryOrganic letters
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