Search results for "Complexes."

showing 10 items of 857 documents

Triorganotin(IV) derivatives of 7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid. Synthesis, spectroscopic characterization, …

2010

Triorganotin(IV) complexes of the 7-amino-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (HL), Me 3 SnL(H 2 O), ( 1 ), [ n -Bu 3 SnL] 2 (H 2 O), ( 2 ), Ph 3 SnL(MeOH), ( 3 ), were synthesized by reacting the amino acid with organotin(IV) hydroxides or oxides in refluxing methanol. The complexes have been characterized by elemental analysis, 1 H, 13 C and 119 Sn NMR, IR, Raman and 119 Sn Mossbauer spectroscopic techniques. Single crystal X-ray diffraction data were obtained for compounds ( 2 ) and ( 3 ). Ph 3 SnL(MeOH) presents a trigonal bipyramidal structure with the organic groups on the equatorial plane and the axial positions occupied by a ligand molecule, coordinated …

PyrimidineStereochemistryOrganic Chemistrychemistry.chemical_elementCrystal structureBiochemistryMedicinal chemistryInorganic ChemistryMetalTrigonal bipyramidal molecular geometrychemistry.chemical_compoundSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialichemistrySettore CHIM/03 - Chimica Generale E Inorganicavisual_artX-ray crystallographyMaterials Chemistryvisual_art.visual_art_mediumMoleculeCarboxylatePhysical and Theoretical ChemistryTinTriazolopyrimidine Triorganotin(IV) complexes Crystal structure microRamanJournal of Organometallic Chemistry
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Bis(4-methylthio)phenylthiomethane as assembling ligand for the construction of Cu(I) and Hg(II) coordination polymers. Crystal structures and topolo…

2016

International audience; The novel 1D coordination polymer (CP) [{Cu(mu(2)-Br)(2)Cu}(mu-L2)(2)] CP2 has been obtained by reaction of the tetrakisthioether p-MeSC6H4SCH2SC6H4SMe-p (L2) with CuBr in a 1: 2 metal-to ligand ratio. In contrast to the previously described CP [{Cu(mu(2)-Br)(2)Cu}(mu-L1)(2)] CP1 obtained by reaction of the tetrakisthioether p-MeOC6H4SCH2SC6H4OMe-p (L1) with CuBr, the two independent extended 1D ribbons contain bent Cu(mu(2)-Br)(2)Cu units of the butterfly-type with short Cu center dot center dot center dot Cu separations of 2.679(1) and 2.613(1) angstrom. In contrast to the common planar rhomboid Cu(mu(2)-Br)(2)Cu cluster, this butterfly-shaped geometry of the core …

QT-AIMLuminescenceCoordination polymerStereochemistryCoordination number[ PHYS.ASTR ] Physics [physics]/Astrophysics [astro-ph]StackingCrystal structure[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciences[ CHIM ] Chemical Sciencesdinuclear copper(i) complexesInorganic Chemistrychemistry.chemical_compoundelectron-densityThioetheraryl substitutionMaterials Chemistry[CHIM]Chemical Sciencescluster-sizePhysical and Theoretical Chemistrytetrathioether complexesComputingMilieux_MISCELLANEOUSThioether complexesluminescence properties010405 organic chemistrypi-pi stackingAtoms in moleculescu-i interaction[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryMercury0104 chemical sciencesCoordination polymersCrystallographychemistryCovalent bondextended 1dStoichiometryCoppermetal-complexes
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Aza–oxa macrocyclic ligands functionalised with naphthylmethyl fluorescent groups

2000

Abstract Compounds L 1 and L 2 were obtained by reaction of 2-(bromomethyl)naphthalene with 1,4,10-trioxa-7,13-diazacyclopentadecane and 1,4,7-trioxa-10-azacyclododecane, respectively. These receptors contain aza–oxa crowns attached covalently to fluorescent groups. The protonation and coordination behaviour of L 1 and L 2 against metal ions has been studied in dioxane:water (70:30 v/v, 25°C, 0.1 M potassium nitrate) using potentiometric methods. All metal ions studied form complexes with L 1 and L 2 with the logarithm of the formation constants L+M 2+ =[M(L)] 2+ in the sequence Cd 2+ ≅Pb 2+ , Zn 2+ 2+ for L 1 and Zn 2+ 2+ 2+ 2+ 2+ for L 2 . The fluorescent behaviour of L 1 and L 2 was stud…

Quenching (fluorescence)Metal ions in aqueous solutionPotentiometric titrationInorganic chemistryProtonationMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryStability constants of complexesBromideMaterials ChemistryQualitative inorganic analysisPhysical and Theoretical ChemistryAcetonitrilePolyhedron
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Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning

2015

Halogen bonding, a noncovalent interaction possessing several unique features compared to the more familiar hydrogen bonding, is emerging as a powerful tool in functional materials design. Herein, we unambiguously show that one of these characteristic features, namely high directionality, renders halogen bonding the interaction of choice when developing azobenzene-containing supramolecular polymers for light-induced surface patterning. The study is conducted by using an extensive library of azobenzene molecules that differ only in terms of the bond-donor unit. We introduce a new tetrafluorophenol-containing azobenzene photoswitch capable of forming strong hydrogen bonds, and show that an io…

RELIEF GRATINGSDENSITY-FUNCTIONAL THEORY CALCULATIONSMaterials sciencePHOTOINDUCED BIREFRINGENCE116 Chemical sciencesta221Supramolecular chemistryPhotochemistrysupramolecular chemistryDENSITY-FUNCTIONAL THEORYchemistry.chemical_compoundMaterials ChemistryMoleculeTHERMAL-ISOMERIZATIONPOLARIZATION DEPENDENCECO-CRYSTALSLIQUID-CRYSTAL ORDERta218chemistry.chemical_classificationta214Halogen bondta114PhotoswitchHydrogen bondPolymers Halogen Bonding Supramolecular Chemistry Photoresponsive AzobenzeneGeneral Chemistryhydrogen bondingPOLYMER-AZOBENZENE COMPLEXESSupramolecular polymersSOLID-STATEchemistryAzobenzeneHALOGEN BONDINGHalogenlight-induced surface patterningSettore CHIM/07 - Fondamenti Chimici Delle TecnologiePHOTONIC APPLICATIONSPOLYMER-AZOBENZENE COMPLEXES; DENSITY-FUNCTIONAL THEORY; LIQUID-CRYSTAL ORDER; RELIEF GRATINGS; SOLID-STATE; PHOTOINDUCED BIREFRINGENCE; POLARIZATION DEPENDENCE; THERMAL-ISOMERIZATION; PHOTONIC APPLICATIONS; CO-CRYSTALSJournal of Materials Chemistry C
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Reversible complexation of ethylene by a silylene under ambient conditions.

2014

Treatment of toluene solutions of the silylenes Si(SArMe6)2 (ArMe6 = C6H3-2,6(C6H2-2,4,6-Me3)2, 1) or Si(SArPri4)2 (ArPri4 = C6H3-2,6(C6H3-2,6-Pri2)2, 2) with excess ethylene gas affords the siliranes (ArMe6S)2tiebar above startSiCH2tiebar above endCH2 (3) or (ArPri4S)2tiebar above startSiCH2tiebar above endCH2 (4). Silirane 4 evolves ethylene spontaneously at room temperature in toluene solution. A Van’t Hoff analysis by variable-temperature 1H NMR spectroscopy showed that ΔGassn = −24.9(2.5) kJ mol–1 for 4. A computational study of the reaction mechanism using a model silylene Si(SPh)2 (Ph = C6H5) was in harmony with the Van’t Hoff analysis, yielding ΔGassn = −24 kJ mol–1 and an activatio…

Reaction mechanism1h nmr spectroscopyEthyleneChemistrySilyleneGeneral ChemistryActivation energymetallylene-isocyanide complexesPhotochemistryBiochemistryTolueneCatalysischemistry.chemical_compoundbonding analysisColloid and Surface Chemistrysitoutuminen (toiminta)ta116metallyleeni-isosyanidi -kompleksitJournal of the American Chemical Society
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Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.

2020

Quantum chemical and multiscale calculations reveal the mechanistic pathway of two superoxide dismutase mimetic N-alkylated tetra-azacyclophane copper complexes with remarkable activity. The arrangement of the binding site afforded by the bulky alkyl substituents and the coordinated water molecule as a proton source play key roles in the reaction mechanism.

Reaction mechanismAlkylationStereochemistrychemistry.chemical_elementAlkylationMolecular Dynamics SimulationCrystallography X-RayCatalysisSuperoxide dismutaseCoordination ComplexesEthers CyclicMaterials ChemistryMoleculeHumansBinding siteAlkylchemistry.chemical_classificationbiologySuperoxide DismutaseMetals and AlloysGeneral Chemistrybiology.organism_classificationCopperSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialschemistryCeramics and Compositesbiology.proteinTetraQuantum Theorylipids (amino acids peptides and proteins)CopperChemical communications (Cambridge, England)
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From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species.

2011

International audience; The formation of dimethyl carbonate (DMC) from CO(2) and methanol with the dimer [n-Bu(2)Sn(OCH(3))(2)](2) was investigated by experimental kinetics in support of DFT calculations. Under the reaction conditions (357-423 K, 10-20 MPa), identical initial rates are observed with three different reacting mixtures, CO(2)/toluene, supercritical CO(2), and CO(2)/methanol, and are consistent with the formation of monomeric di-n-butyltin(iv) species. An intramolecular mechanism is, therefore, proposed with an Arrhenius activation energy amounting to 104 ± 10 kJ mol(-1) for DMC synthesis. DFT calculations on the [(CH(3))(2)Sn(OCH(3))(2)](2)/CO(2) system show that the exothermi…

Reaction mechanismDimerInorganic chemistryGeneral Physics and AstronomyCATALYSTSActivation energy010402 general chemistry01 natural sciencesMedicinal chemistryHOMOGENEOUS HYDROGENATIONCatalysischemistry.chemical_compoundsymbols.namesake[CHIM.ANAL]Chemical Sciences/Analytical chemistryReactivity (chemistry)Physical and Theoretical ChemistryCOORDINATION CHEMISTRYCOPOLYMERIZATIONCHALLENGES010405 organic chemistryOXIDEREACTIVITY0104 chemical sciencesGibbs free energy[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistryIntramolecular force[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistrysymbols[ CHIM.ANAL ] Chemical Sciences/Analytical chemistryMETAL-COMPLEXESDimethyl carbonateEPOXIDESDIOXIDE
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The ubiquitin-specific protease USP8 is critical for the development and homeostasis of T cells

2015

The modification of proteins by ubiquitin has a major role in cells of the immune system and is counteracted by various deubiquitinating enzymes (DUBs) with poorly defined functions. Here we identified the ubiquitin-specific protease USP8 as a regulatory component of the T cell antigen receptor (TCR) signalosome that interacted with the adaptor Gads and the regulatory molecule 14-3-3β. Caspase-dependent processing of USP8 occurred after stimulation of the TCR. T cell-specific deletion of USP8 in mice revealed that USP8 was essential for thymocyte maturation and upregulation of the gene encoding the cytokine receptor IL-7Rα mediated by the transcription factor Foxo1. Mice with T cell-specifi…

Regulatory T cellT-LymphocytesImmunologyReceptors Antigen T-Cell610 Medicine & healthBiologyCD8-Positive T-LymphocytesJurkat cellsJurkat CellsMiceddc:570EndopeptidasesmedicineImmunology and AllergyAnimalsHomeostasisHumans10239 Institute of Laboratory Animal ScienceIL-2 receptorAdaptor Proteins Signal Transducing2403 ImmunologyReceptors Interleukin-7ThymocytesEndosomal Sorting Complexes Required for TransportForkhead Box Protein O1ZAP70T-cell receptorCD28Cell DifferentiationForkhead Transcription FactorsColitisCell biologyThymocytemedicine.anatomical_structure2723 Immunology and Allergy570 Life sciences; biology590 Animals (Zoology)Ubiquitin ThiolesteraseCD8
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Promoter architecture and transcriptional regulation of Abf1-dependent ribosomal protein genes inSaccharomyces cerevisiae

2016

In Saccharomyces cerevisiae, ribosomal protein gene (RPG) promoters display binding sites for either Rap1 or Abf1 transcription factors. Unlike Rap1-associated promoters, the small cohort of Abf1-dependent RPGs (Abf1-RPGs) has not been extensively investigated. We show that RPL3, RPL4B, RPP1A, RPS22B and RPS28A/B share a common promoter architecture, with an Abf1 site upstream of a conserved element matching the sequence recognized by Fhl1, a transcription factor which together with Ifh1 orchestrates Rap1-associated RPG regulation. Abf1 and Fhl1 promoter association was confirmed by ChIP and/or gel retardation assays. Mutational analysis revealed a more severe requirement of Abf1 than Fhl1 …

Ribosomal Proteins0301 basic medicineSaccharomyces cerevisiae ProteinsTranscription GeneticTelomere-Binding ProteinsRibosome biogenesisSaccharomyces cerevisiaeMechanistic Target of Rapamycin Complex 1Biology03 medical and health sciencesRibosomal proteinTranscription (biology)Gene Expression Regulation FungalGeneticsTranscriptional regulationBinding sitePromoter Regions GeneticTranscription factorGeneGeneticsBinding SitesTOR Serine-Threonine KinasesGene regulation Chromatin and EpigeneticsForkhead Transcription FactorsPromoterDNA-Binding Proteins030104 developmental biologyMultiprotein ComplexesTrans-ActivatorsTranscription FactorsNucleic Acids Research
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Synthesis, Structural characterization and Exafs investigations of new ruthenium(III) complexes.

2008

Two new complexs of Ru(III) with glucosaminic acid and 1-Methyluracil, [RuCl2(Glun-N,O)2]H (I), (Glun-= glucosaminate); [RuCl4(1-MeU-N3)(DMSO)]H2.H2O (II), (1-MeU-= 1-Methyluracilate) were prepared from the same Ru(III) precursors, RuCl3•3H2O and [(DMSO)2H][trans-RuCl4(DMSO)2]. The characterization of the complexes have been carried out by elemental analysis, FT-IR, ES-MS, NMR and EXAFS.

Ruthenium(III) complexesFT-IR ES-MS NMR EXAFS.Settore CHIM/03 - Chimica Generale E Inorganica
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