Search results for " bonding"

showing 10 items of 934 documents

Hydrogen-Bonded Open-Framework with Pyridyl-Decorated Channels: Straightforward Preparation and Insight into Its Affinity for Acidic Molecules in Sol…

2017

International audience; An hydrogen-bonded open framework with pores decorated by pyridyl groups has been constructed following an off-charge-stoichiometry assemblage of protonated tetrakis(4-pyridyl-oxymethyl)methane and [Al(oxalate)3]3-, respectively the H-bond donor and acceptor of the ionic H-bond interactions. This supramolecular porous architecture (SPA-2) possesses 1 nm-large pores interconnected in 3D with high solvent accessible void (53%). It demonstrated remarkable affinity for acidic organic molecules in solution, which was investigated by the means of various carboxylic acids including larger drug molecules. Noteworthy, competing sorption between acetic acid and its halogenated…

010405 organic chemistryHydrogen bondChemistryOrganic ChemistrySupramolecular chemistryIonic bondingProtonationSorptionGeneral ChemistryHydrogen-Bonding010402 general chemistry[ CHIM ] Chemical Sciences01 natural sciencessupramolecular chemistryCatalysis0104 chemical sciencesSolventPolymer chemistryhost-guest chemistry[CHIM]Chemical SciencesMoleculeOrganic chemistryoxalate complexporous materialHost–guest chemistryChemistry (Weinheim an der Bergstrasse, Germany)
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Supramolecular assemblies and photophysical properties of ionic homo- and heteronuclear metallophilic complexes

2019

Abstract The synthesis of two dinuclear ionic complexes with chemical formula [Au(PR 3 ) 2 ][Au(C ≡ CC 5 H 4 N-4) 2 ] that contain the water soluble phosphines, PR 3 , PTA (1, 3,5-triaza-7-phosphaadamantane, 1 ) and DAPTA (3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, 2 ) is herein described. The differences on their intermolecular reorganization have been analyzed and compared with the previously reported for the neutral complexes [Au(PR 3 )(C ≡ CC 5 H 4 N-4)]. It has been evidenced that the reorganization of the ligands giving rise to the dinuclear ionic complexes produces a complete change in the properties giving rise to Au⋯Au intermolecular assemblies. These aurophilic conta…

010405 organic chemistryOrganic ChemistryIntermolecular forceSupramolecular chemistryIonic bondingOr010402 general chemistry01 natural sciencesBiochemistry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryHeteronuclear moleculeHexafluorophosphateCompostos d'orMaterials ChemistryGoldPhysical and Theoretical ChemistryNonaneLuminescenceTrifluoromethanesulfonateGold compounds
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Influence of the solvent and R groups on the structure of (carboranyl)R2PI2 compounds in solution. Crystal structure of the first iodophosphonium sal…

2008

The influence of the electron-donor or electron-acceptor capacity of the R groups (R = (i)Pr, Ph, Et) and the solvent on the molecular geometry in solution of adducts of carboranylphosphanes [(carboranyl)(i)Pr2P, (carboranyl)Ph2P and (carboranyl)Et2P] with I2 in 1 : 1 ratios, has been studied in detail by 31P{1H} and 11B{1H} NMR spectroscopies. The more electron-accepting Ph groups make the (carboranyl)Ph2P less nucleophilic, thus stabilizing the I2 encapsulated neutral biscarboranylphosphane-diiodine adducts in solution, such as (carboranyl)Ph2PI-IPPh2(carboranyl), generating P---I-I---P motifs. Even in a polar solvent, such as EtOH, the arrangement is preserved. The expected basicity of t…

010405 organic chemistryStereochemistryChemistryIonic bondingCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesAdductInorganic ChemistrySolventchemistry.chemical_compoundMolecular geometryNucleophileZwitterionReactivity (chemistry)Dalton Transactions
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A delamination test for structural wood adhesives used in thick joints

2001

A test method was developed for the measurement of delamination of structural wood adhesives applied in thick joints. Large differences were observed within a range of 8 commercial epoxy-based products.

010407 polymersMaterials scienceAdhesive bondingJOINT[SDV]Life Sciences [q-bio]DelaminationForestry02 engineering and technologyTest methodEpoxy021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesvisual_art[SDV.IDA]Life Sciences [q-bio]/Food engineeringvisual_art.visual_art_mediumGeneral Materials Science[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringAdhesiveComposite material0210 nano-technologyComputingMilieux_MISCELLANEOUS
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Effect of different concentrations of specific inhibitor of matrix metalloproteinases on the shear bond strength of self-adhesive resin cements to de…

2017

Background Considering the probability of chemical and enzymatic reactions between matrix metalloproteinases (MMPs) in the dentin structure and their specific inhibitors, the aim of the present study was to evaluate the effect of different concentrations of specific inhibitor of MMPs (galardin) on the shear bond strength of self-adhesive resin cements to dentin. Material and Methods Forty-eight sound human premolars were mounted in self-cured acrylic resin after removal of the enamel on the buccal and lingual surfaces. The dentin surfaces achieved were polished and prepared with 600-grit silicon carbide paper. The samples were divided into 3 groups (n=16) based on the concentration of galar…

010407 polymersMatrix metalloproteinase inhibitorComposite numberDentistryDental bondingMatrix metalloproteinase01 natural sciencesOperative Dentistry and Endodontics03 medical and health sciences0302 clinical medicinestomatognathic systemDentinmedicineComposite materialGeneral DentistryAcrylic resinEnamel paintbusiness.industryChemistryResearch030206 dentistry:CIENCIAS MÉDICAS [UNESCO]0104 chemical sciencesstomatognathic diseasesmedicine.anatomical_structureDistilled watervisual_artUNESCO::CIENCIAS MÉDICASvisual_art.visual_art_mediumbusiness
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Uncovering Technological and Environmental Potentials of Aluminum Alloy Scraps Recycling Through Friction Stir Consolidation

2020

Conventional metal chips recycling processes are energy-intensive with low efficiency and permanent material losses during re-melting. Solid state recycling allows direct recycling of metal scraps into semi-finished products. It is expected that this process category would lower the environmental performance of metals recycling. Friction Stir Consolidation is a new solid-state technique taking advantage of friction heat generation and severe plastic deformation to consolidate chips into billets. In this research, the feasibility of Friction Stir Consolidation as aluminum chips recycling process is analyzed. Specifically, an experimental campaign has been carried out with varying main proces…

0209 industrial biotechnologyMaterials sciencePrimary energySolid bondingAlloySolid-stateSustainable manufacturingchemistry.chemical_elementFriction stir consolidation02 engineering and technologyengineering.materialIndustrial and Manufacturing Engineering020901 industrial engineering & automationAluminiumManagement of Technology and InnovationGeneral Materials ScienceRecyclingSettore ING-IND/16 - Tecnologie E Sistemi Di LavorazioneConsolidation (soil)Renewable Energy Sustainability and the EnvironmentMechanical EngineeringMetallurgy021001 nanoscience & nanotechnologychemistryHeat generationengineeringSevere plastic deformation0210 nano-technologyEfficient energy useAluminum
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Onset of cohesion in cement paste

2004

It is generally agreed that the cohesion of cement paste occurs through the formation of a network of nanoparticles of a calcium-silicate-hydrate ("C-S-H"). However, the mechanism by which these particles develop this cohesion has not been established. Here we propose a dielectric continuum model which includes all ionic interactions within a dispersion of C-S-H particles. It takes into account all co-ions and counterions explicitly (with pure Coulomb interactions between ions and between ions and the surfaces) and makes no further assumptions concerning their hydration or their interactions with the surface sites. At high surface charge densities, the model shows that the surface charge of…

0211 other engineering and technologiesCementNanoparticleIonic bonding02 engineering and technologyDielectricCSHIonchemistry.chemical_compound021105 building & constructionElectrochemistryGeneral Materials ScienceSurface chargecalcium silicate hydrateCalcium silicate hydrateionic correlationsSpectroscopyMonte Carlo simulation[CHIM.MATE] Chemical Sciences/Material chemistryIonic radiusatomic force microscopySurfaces and Interfaces[CHIM.MATE]Chemical Sciences/Material chemistry021001 nanoscience & nanotechnologyCondensed Matter PhysicsC-S-HcohesionchemistryChemical physics[ CHIM.MATE ] Chemical Sciences/Material chemistryCohesion (chemistry)nanoparticlesAFM0210 nano-technology
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The open metastable structure of a collapsible sand: fabric and bonding

2015

This paper deals with the compositional and textural characteristics determining open metastable structures in the pleistocenic sand outcropping in the Agrigento district (Sicily). The aim of the study was to individuate the bonding types occurring between grains that could generate matric suction phenomena. The composition and microfabric were characterised by means of granulometry, porosimetry, permeability, optical and ESEM-EDS microscopy, thermogravimetry and XR diffractometry, electric conductivity, and ionic chromatography. The data thus acquired show that the skeleton of the sand is constituted mostly by bioclasts and microfossils, calcite and quartz monocrystalline grains. Moreover,…

0211 other engineering and technologiesMineralogyMicrostructure and porosity02 engineering and technologySilt010502 geochemistry & geophysics01 natural scienceschemistry.chemical_compoundPorosityQuartz021101 geological & geomatics engineering0105 earth and related environmental sciencesCalciteSettore ICAR/07 - GeotecnicaCapillary condensationFabric and bondingGeologyPorosimetryGeotechnical Engineering and Engineering GeologyCementation (geology)Unsaturated collapsible sandSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialiPetrographical and chemical analysichemistryGranulometryMatric suctionSettore GEO/05 - Geologia ApplicataGeologyBulletin of Engineering Geology and the Environment
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Stability of a Split Streptomycin Binding Aptamer

2016

Here we investigated the stability of an aptamer, which is formed by two RNA strands and binds the antibiotic streptomycin. Molecular dynamics simulations in aqueous solution confirmed the geometry and the pattern of hydrogen bond interactions that was derived from the crystal structure (1NTB). The result of umbrella sampling simulations indicated a favored streptomycin binding with a free energy of ΔGbind° = −101.7 kJ mol–1. Experimentally, the increase in oligonucleotide stability upon binding of streptomycin was probed by single-molecule force spectroscopy. Rate dependent force spectroscopy measurements revealed a decrease in the natural off-rate (koff-COMPLEX = 0.22 ± 0.16 s–1) for the …

0301 basic medicineBinding SitesAqueous solutionChemistryHydrogen bondAptamerForce spectroscopyWaterHydrogen BondingAptamers NucleotideMolecular Dynamics SimulationSurfaces Coatings and FilmsGibbs free energy03 medical and health sciencessymbols.namesakeMolecular dynamicsCrystallography030104 developmental biologyStreptomycinMaterials ChemistrysymbolsThermodynamicsPhysical and Theoretical ChemistryUmbrella samplingBinding siteThe Journal of Physical Chemistry B
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Development of Novel Peptide-Based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs)

2017

This paper describes the development of a class of peptide-based inhibitors as novel antitrypanosomal and antimalarial agents. The inhibitors are based on a characteristic peptide sequence for the inhibition of the cysteine proteases rhodesain of Trypanosoma brucei rhodesiense and falcipain-2 of Plasmodium falciparum. We exploited the reactivity of novel unsaturated electrophilic functions such as vinyl-sulfones, -ketones, -esters, and -nitriles. The Michael acceptors inhibited both rhodesain and falcipain-2, at nanomolar and micromolar levels, respectively. In particular, the vinyl ketone 3b has emerged as a potent rhodesain inhibitor (k2nd = 67 × 106 M-1 min-1), endowed with a picomolar b…

0301 basic medicineCathepsin LAntimalarialPeptideHeLa Cell01 natural sciencesCysteine Proteinase InhibitorDipeptideDrug DiscoveryPeptide sequencechemistry.chemical_classificationTrypanocidal AgentbiologyNeglected DiseasesStereoisomerismDipeptidesTrypanocidal AgentsMAJOR CYSTEINE PROTEASE PLASMODIUM-FALCIPARUM TRYPANOSOMA-BRUCEI CONFORMATIONAL-ANALYSIS BIOLOGICAL EVALUATION HIGHLY POTENT VINYL-ESTER INHIBITORS PEPTIDOMIMETICS SUBSTRATEMolecular Docking SimulationCysteine EndopeptidasesBiochemistryMolecular MedicineHumanProteasesNeglected DiseaseStereochemistryPhenylalaninePlasmodium falciparumTrypanosoma brucei bruceiCysteine Proteinase InhibitorsMolecular Dynamics SimulationTrypanosoma bruceiAntimalarialsStructure-Activity Relationship03 medical and health sciencesparasitic diseasesHumansStructure–activity relationship010405 organic chemistryDrug Discovery3003 Pharmaceutical ScienceHydrogen BondingTrypanosoma brucei rhodesiensePlasmodium falciparumbiology.organism_classificationMalaria0104 chemical sciencesTrypanosomiasis African030104 developmental biologychemistryCarbamateCarbamatesCysteine EndopeptidaseHeLa CellsCysteineJournal of Medicinal Chemistry
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