Search results for " complexes"

showing 10 items of 818 documents

Thermodynamics of Proton Binding of Halloysite Nanotubes

2016

In this paper, new information on physical and chemical properties of the widely used nanostructured Halloysite mineral are reported. Given that the Halloysite has a tubular structure formed by a variable number of wrapped layers containing Si-OH and Al-OH groups, their proton binding affinity was measured at different ionic strengths and ionic media by means of potentiometric measurements in heterogeneous phase. One protonation constant for the Si-OH groups and two for the Al-OH groups were determined. The protonation constant values increase with increasing of the ionic strength in all the ionic media. This suggests that the presence of a background electrolyte stabilizes the protonated s…

Proton bindingInorganic chemistrySurfaces Coatings and FilmIonic bondingProtonation02 engineering and technologyElectrolyteengineering.material010402 general chemistry01 natural sciencesHalloysiteIonSettore CHIM/01 - Chimica AnaliticaSurface chargePhysical and Theoretical ChemistrySettore CHIM/02 - Chimica FisicaChemistryElectronic Optical and Magnetic Material021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsEnergy (all)General EnergyIonic strengthengineering0210 nano-technologyACID-BASE PROPERTIES; MOLECULAR-WEIGHT LIGANDS; CLAY NANOTUBES; AQUEOUS-SOLUTION; IONIC-STRENGTH; ACTIVITY-COEFFICIENTS; WEAK COMPLEXES; FORMATION-CONSTANTS; CONTROLLED-RELEASE; SUSTAINED-RELEASE
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Synthesis of pyrido[2,1-a]isoquinolin-4-ones and oxazino[2,3-a]isoquinolin-4-ones: New inhibitors of mitochondrial respiratory chain

2013

International audience; Benzo[a]quinolizine is an important heterocyclic framework that can be found in numerous bioactive compounds. The general scheme for the synthesis of these compounds was based on the preparation of the appropriate dihydroisoquinolines by Bischler-Napieralski cyclization with good yields, followed by the Pemberton method to form the oxazinones or pyridones derivatives via acyl-ketene imine cyclocondensation. All the synthesized compounds were assayed in vitro for their ability to inhibit mitochondrial respiratory chain. Most of the tested compounds were able to inhibit the integrated electron transfer chain, measured as NADH oxidation, which includes complexes I, III …

PyridonesStereochemistryImine010402 general chemistryRing (chemistry)01 natural sciencesMitochondria HeartElectron TransportStructure-Activity Relationshipchemistry.chemical_compoundMultienzyme ComplexesFuranOxazinesDrug DiscoveryAnimalsNADH NADPH OxidoreductasesCytotoxicityPharmacologyDose-Response Relationship DrugMolecular Structure[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryOrganic ChemistryQuinolizineBiological activityGeneral MedicineIsoquinolinesElectron transport chain3. Good health0104 chemical sciencesMitochondrial respiratory chainchemistryCattleEuropean Journal of Medicinal Chemistry
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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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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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