Search results for "COMPLEXES"

showing 10 items of 875 documents

Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investi…

2014

We present a thorough characterization of the interaction of novel nickel(II) (1), copper(II) (2) and zinc(II) (3) Schiff base complexes with native calf thymus DNA (ct-DNA), in buffered aqueous solution at pH 7.5. UV-vis absorption, circular dichroism (CD) and viscometry titrations provided clear evidence of the intercalative mechanism of the three square-planar metal complexes, allowing us to determine the intrinsic DNA-binding constants (K(b)), equal to 1.3 × 10(7), 2.9 × 10(6), and 6.2 × 10(5) M(-1) for 1, 2 and 3, respectively. Preferential affinity, of one order of magnitude, toward AT compared to GC base pair sequences was detected by UV-vis absorption titrations of 1 with [poly(dG-d…

Circular dichroismXASIntercalation (chemistry)Inorganic chemistryMolecular Dynamics SimulationInorganic ChemistryMetalbioinorganic chemistrychemistry.chemical_compoundsymbols.namesakeCoordination ComplexesNickelSchiff BasesX-ray absorption spectroscopySchiff baseAqueous solutionExtended X-ray absorption fine structureCircular DichroismDNAcomputational chemistrySettore CHIM/08 - Chimica FarmaceuticaIntercalating AgentsGibbs free energyZincCrystallographyX-Ray Absorption SpectroscopychemistrySettore CHIM/03 - Chimica Generale E Inorganicavisual_artsymbolsvisual_art.visual_art_mediumSpectrophotometry UltravioletCopper
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Synthesis, spectroscopic characterization and antiproliferative activity of two platinum(II) complexes containing N-donor heterocycles

2014

Abstract Novel mononuclear complexes of Pt(II), cis -[PtCl 2 (DMSO)HL]·2DMSO ( 1 ), where HL = 7-amino-2-(methylthio)[1,2,4]triazolo[1,5- a ]pyrimidine-6-carboxylic acid and Pt(bdt)Cl 2 ( 2 ), where bdt = [2,4-bis(5,6-diphenyl-1,2,4-triazin-3yl)-pyridine] have been synthesized and characterized by elemental analysis, IR and 1 H NMR spectroscopy and X-ray crystallography diffraction analyses. The molecular structure of ( 1 ) shows that Pt(II) ion has a square planar geometry with N(3) bonded heterocycle ligand, two cis chloride anions and S-bonded dimethylsulfoxide. The antiproliferative activity of complexes ( 1 ) and ( 2 ) has been tested in vitro against HepG2 human hepatoma cells and non…

CisplatinLigandChemistryStereochemistrychemistry.chemical_elementPhosphatidylserineIn vitroMononuclear platinum complexes Heterocyclic nitrogen Dimethylsulfoxide Antitumor activityAntitumor activity Dimethylsulfoxide Heterocyclic nitrogen Mononuclear platinum complexesDimethylsulfoxide Heterocyclic nitrogen Mononuclear platinum complexesInorganic Chemistrychemistry.chemical_compoundMembraneSettore CHIM/03 - Chimica Generale E InorganicaMaterials ChemistryProton NMRmedicineMoleculePhysical and Theoretical ChemistryPlatinumAntitumor activitymedicine.drugInorganica Chimica Acta
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Complexes de métaux de transition avec des ligands carbènes N-hétérocycliques : synthèses et réactivité

2015

The purpose of this work is the synthesis of complexes containing imine-functionalized protic NHC ligands in order to further develop synthetic methodologies giving access to pNHC, C-bound ‘anionic’ imidazolide, and homo- and heterodinuclear complexes. In the case of imidazoles without functional group, deprotonation with n-butyl lithium afforded (1-aryl-1H-imidazol-2-yl)lithium in good yield. Reaction of (1-aryl-1H-imidazol-2-yl)lithium with [Ir(cod)(μ-Cl)]2 or [Rh(cod)(μ-Cl)]2 yielded a doubly C2,N3-bridged dinuclear complex. In the case of imine-functionalized imidazole, the Ir(I) N-bound imidazole complex can tautomerize to Ir(I) imine-functionalized pNHC complex chloride abstraction at…

Complexes du rhodiumIridium complexesFonctionnalité-imine[CHIM.OTHE] Chemical Sciences/OtherProtic N-heterocyclic carbenesRhodium complexesCarbènes N-hétérocyclique protiqueImine-functionalizationsComplexes de l'iridiumC-H activationActivation C-H
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Porphyrines et tétraazamacrocycles dérivés du DOTA : association de deux ligands pour la chélation de métaux d'intérêt en imagerie médicale multimoda…

2012

The goal of my PhD thesis was to synthesize new molecules, which give access to heterobimetallic complexes with interesting properties for multimodal imaging. In this manuscript, several main points have been studied. The first part of this work concerns the synthesis and characterization of ligands. We describe here the synthesis of five new ligands based on the association of one porphyrin and one or several cyclen derivatives. Those ligands are water-soluble. During the synthesis, we have targeted improvements to our work and developed a new synthetic pathway, which allowed us to obtain one ligand incorporating a porphyrin, a cyclen derivative and a free amine function. This function cou…

Complexes hétérobimétalliquesPorphyrinsHeterobimetallic complexesGadoliniumContrast agentsRelaxivity studiesIRM / PETPorphyrinesBODIPY[ CHIM.OTHE ] Chemical Sciences/Other[ SDV.MHEP ] Life Sciences [q-bio]/Human health and pathologyMultimodal imagingMRI / PETChimie “click”[SDV.MHEP] Life Sciences [q-bio]/Human health and pathologyAgents de contrasteTétraazamacrocyclesTransferts d’énergieTetraazamacrocyclesEtudes de relaxivitéDOTAImagerie multimodale[CHIM.OTHE] Chemical Sciences/OtherEnergy transfer“Click” chemistry[CHIM.OTHE]Chemical Sciences/Other[SDV.MHEP]Life Sciences [q-bio]/Human health and pathology
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Optimal rates of convergence for persistence diagrams in Topological Data Analysis

2013

Computational topology has recently known an important development toward data analysis, giving birth to the field of topological data analysis. Topological persistence, or persistent homology, appears as a fundamental tool in this field. In this paper, we study topological persistence in general metric spaces, with a statistical approach. We show that the use of persistent homology can be naturally considered in general statistical frameworks and persistence diagrams can be used as statistics with interesting convergence properties. Some numerical experiments are performed in various contexts to illustrate our results.

Computational Geometry (cs.CG)FOS: Computer and information sciences[ MATH.MATH-GT ] Mathematics [math]/Geometric Topology [math.GT][STAT.TH] Statistics [stat]/Statistics Theory [stat.TH]Topological Data analysis Persistent homology minimax convergence rates geometric complexes metric spacesGeometric Topology (math.GT)Mathematics - Statistics TheoryStatistics Theory (math.ST)[INFO.INFO-LG] Computer Science [cs]/Machine Learning [cs.LG][STAT.TH]Statistics [stat]/Statistics Theory [stat.TH][INFO.INFO-CG]Computer Science [cs]/Computational Geometry [cs.CG][ STAT.TH ] Statistics [stat]/Statistics Theory [stat.TH][ INFO.INFO-LG ] Computer Science [cs]/Machine Learning [cs.LG]Machine Learning (cs.LG)Computer Science - LearningMathematics - Geometric Topology[INFO.INFO-CG] Computer Science [cs]/Computational Geometry [cs.CG][INFO.INFO-LG]Computer Science [cs]/Machine Learning [cs.LG][MATH.MATH-GT]Mathematics [math]/Geometric Topology [math.GT]FOS: Mathematics[ INFO.INFO-CG ] Computer Science [cs]/Computational Geometry [cs.CG]Computer Science - Computational Geometry[MATH.MATH-GT] Mathematics [math]/Geometric Topology [math.GT]
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From magnetic to nonlinear optical switches in spin-crossover complexes

2013

ISI Document Delivery No.: 109TF Times Cited: 0 Cited Reference Count: 173 Lacroix, Pascal G. Malfant, Isabelle Real, Jose-Antonio Rodriguez, Vincent Wiley-v c h verlag gmbh Weinheim Si; Various attempts to combine magnetic and nonlinear optical (NLO) properties in a molecule are reviewed, with a special focus on the possibility of interplay between the magnetic component and the quadratic (proportional to E-2) NLO response. This multidisciplinary research leads to the idea of spin-crossover-induced (SCO-induced) NLO switching and is evaluated at the synthetic level, with insights provided by computational chemistry. The need for nontraditional experimental setups to record NLO properties i…

Computational chemistryNonlinear opticsroom-temperaturetransition-metal-complexesSolid-stateNanotechnology02 engineering and technology010402 general chemistry01 natural scienceselectrical-conductivityInorganic ChemistryNonlinear opticalQuadratic equationSpin crossoverbinuclear iron(iii) complexesMagnetic componentsMoleculenlo propertiesNuclear Experimentliquid-crystalCondensed matter physicsChemistryNonlinear optics021001 nanoscience & nanotechnologySpin crossoverMaterials science0104 chemical sciences2nd-harmonic generationHigh Energy Physics::Experimentschiff-base ligandsray crystal-structure0210 nano-technologyFocus (optics)hyper-rayleigh scatteringMolecular devices
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Complex networks : application for texture characterization and classification

2008

This article describes a new method and approch of texture characterization. Using complex network representation of an image, classical and derived (hierarchical) measurements, we presente how to have good performance in texture classification. Image is represented by a complex networks : one pixel as a node. Node degree and clustering coefficient, using with traditionnal and extended hierarchical measurements, are used to characterize ”organisation” of textures.

Computer engineering. Computer hardwareTexture compressionComputer scienceComputingMethodologies_IMAGEPROCESSINGANDCOMPUTERVISIONComplex networksImage processingTexture (geology)TK7885-7895Image textureImage processingAnàlisi de texturaProcesamiento de imágenestexture analysisClustering coefficientAnálisis de texturaRedes complejasPixelbusiness.industryNode (networking)Pattern recognitionProcessament d'imatgescomplex networksQA75.5-76.95Xarxes complexesComplex networkTexture analysisElectronic computers. Computer scienceComputer Science::Computer Vision and Pattern RecognitionComputer Vision and Pattern RecognitionArtificial intelligencebusinessSoftwareELCVIA: electronic letters on computer vision and image analysis
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Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acet…

2013

The bis(mu-phenoxo) (FeNiIII)-Ni-II compound [Fe-III(N-3)(2)LNiII(H2O)(CH3CN)](ClO4) (1) and the bis(mu-phenoxo)-mu-acetate/bis(mu-phenoxo)-bis(mu-acetate) (FeNiII)-Ni-III compound {[Fe-III(OAc)LNiII(H2O)(mu-OAc)](0.6)center dot[(FeLNiII)-L-III(mu-OAc)(2)](0.4)}(ClO4)center dot 1.1H(2)O (2) have been synthesized from the Robson type tetraiminodiphenol macrocyclic ligand H2L, which is the [2 + 2] condensation product of 4-methyl-2,6-diformylphenol and 2,2'-dimethy1-1,3-diaminopropane. Single-crystal X-ray structures of both compounds have been determined. The cationic part of the dinuclear compound 2 is a cocrystal of the two species [Fe-III(OAc)LNiII(H2O)(mu-OAc)](+) (2A) and [(FeLNiII)-L-I…

Coordination ClustersCopper(Ii) ComplexesSingle-Molecule MagnetTransition-Metal-ComplexesChemistryStereochemistryTheoretical ExplorationExchange InteractionsCationic polymerizationCocrystalAnisotropy BarrierInorganic ChemistryCrystallographyFerromagnetismAntiferromagnetismLanthanide ComplexesDensity functional theoryMacrocyclic ligandPhysical and Theoretical ChemistrySpin Ground-StateGaussian-Basis SetsInorganic Chemistry
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New planar polynitrile dianion and its first coordination polymer with unexpected short M⋯M contacts (tcno2−=[(NC)2CC(O)C(CN)2]2−)

2008

International audience; A new planar polynitrile dianion ([tcno]2− = [(NC)2CC(O)C(CN)2]2−) has been synthesized as its potassium salt, K2[tcno] (1). The crystallization of 1 by the slow evaporation of an aqueous solution at room temperature gave two types of colourless crystals having two different shapes [1-A: fine plates and 1-B: needles] for which the crystal structure determinations showed similar geometries for the polynitrile anion in both the structures. The combination of this novel dianion with Cu(II) led to the coordination complex [Cu(tcno)2(H2O)2] (2), which constitutes the first coordination complex of this dianion. The structure of 2 can be described as a coordination polymer …

Coordination polymerInorganic chemistryBridging ligandCrystal structure010402 general chemistry01 natural sciencesCoordination complexlaw.inventionInorganic ChemistryMetalchemistry.chemical_compoundlawMaterials Chemistry[CHIM]Chemical SciencesCoordination polymerPhysical and Theoretical ChemistryCrystallizationchemistry.chemical_classificationAqueous solution010405 organic chemistryChemistryLigandBridging ligand0104 chemical sciencesCrystallographyvisual_artvisual_art.visual_art_mediumCopper(II) complexesPlanar polynitrile anion
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Coordination polymers based on bridging cyanocarbanions and bis-tridentate p-phenylenediamine ligands

2017

Two new Cu(II) coordination polymeric neutral chains of formula [Cu 2 (1,4-tpbd)(μ-A) 2 (H 2 O) 2 ](A) 2 with A = tcnoet − ( 1 ) and tcnopr − ( 2 ) (1,4-tpbd =  N,N,N′N′ -tetrakis(2-pyridylmethyl)benzene-1,4-diamine, tcnoet −  = 1,1,3,3-tetracyano-2-ethoxypropenide and tcnopr −  = 1,1,3,3-tetracyano-2-propoxypropenide) have been synthesized and characterized by infrared spectroscopy, X-ray diffraction and magnetic measurements. 1  and  2 show alternating chains where the 1,4-tpbd and the cyanocarbanion units (tcnoet − for 1 and tcnopr − for 2 ) alternate as bridging ligands. The molecular structure can be viewed as [Cu 2 (μ-tpbd)] 4+ dinuclear units (with Cu⋯Cu distances of 8.2233(3) for 1 …

Coordination polymerStereochemistryDimerInfrared spectroscopy010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundMagnetic interactionsMaterials ChemistryAntiferromagnetismMolecule[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryCoordination polymerPhysical and Theoretical ChemistryPolypyridyl ligand010405 organic chemistryLigandCopper complexp-PhenylenediaminePolypyridyl copper complexesMagnetic susceptibility3. Good health0104 chemical sciencesCrystallographychemistry
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