Search results for "Complexes"

showing 10 items of 875 documents

Oxovanadium(V) complexes with tripodal bisphenolate and monophenolate ligands: Syntheses, structures and catalytic activities

2019

Abstract The reactions between [VO(acac)2] (acac– = acetylacetonate) and the tripodal amino bisphenols 6,6′-(((2-morpholinoethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) (H2L1) and 6,6′-(((thiophen-2-ylmethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) (H2L2) as well as the tetradentate amino phenol 2,2′-((3,5-di-tert-butyl-2-hydroxybenzyl)azanediyl)bis(ethan-1-ol) (H3L3) afford the complexes [VO(L1)(OMe)] (1), [VO(L2)(acac)] (2) and [VO(L3)] (3), correspondingly. Complexes 1 and 3 can also be prepared using VOSO4·xH2O or [VO(OPr)3] as vanadium precursors. When [VO(acac)2] or VOSO4·xH2O is used, mononuclear oxovanadium(V) complexes are formed upon oxidation of the met…

Vanadiumchemistry.chemical_element010402 general chemistry01 natural sciencesMedicinal chemistrysulfoxidationCatalysisInorganic ChemistryMetalchemistry.chemical_compoundepoxidationcalculationsMaterials ChemistryPhysical and Theoretical ChemistryMethyleneta116Vanadium (V) complexes010405 organic chemistryChemistryThioanisolekompleksiyhdisteet0104 chemical sciencesTrigonal bipyramidal molecular geometryOctahedronvisual_artvisual_art.visual_art_mediumSingle crystalInorganica Chimica Acta
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Effects of Dissolved Complexation on REE Fate During Interactions between Volcanic Ash and Coexisting Fluids

2013

AbstractThis work analyzes REE behavior during the delivery of volcanic ash into a marine system and highlights the effects induced by dissolved carbonate and humate complexes on REE release. Kinetic experiments were carried out during a 6-month period using a batch method approach. Results show that the highest degree of REE leaching occurs during the early stage. Altered phases that crystallize induce REE sorption and dissolved complexation towards surface complexation, concurrent processes that are enhanced by Y/Ho, La/Yb, and Ce/Ce* changes, whereas dissolved humates and carbonates influence the dissolution rate of ash and the dissolved REE behavior.

Volcanic ash dissolutionEffect of dissolved complexesBatch methodGeochemistryEarth and Planetary Sciences(all)SorptionGeneral MedicineSurface complexationchemistry.chemical_compoundchemistryEnvironmental chemistryRare earth elements leachingCarbonateKinetic experimentsLeaching (metallurgy)DissolutionGeologygeochemistryVolcanic ashProcedia Earth and Planetary Science
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Ferromagnetic kinetic exchange interaction in magnetic insulators

2020

The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of magnetic and (leading) bridging orbitals, together with the electron transfer between the former, reveals a strong ferromagnetic kinetic exchange contribution. First principle calculations show that it is comparable in strength with antiferromagnetic superexchange in a number of magnetic materials with diamagnetic metal bridges. In particular, it is responsible for a very large ferromagnetic coupling ($-10$ meV) between the iron ions in a Fe$^{3+}$-Co$^{…

Work (thermodynamics)magneettiset ominaisuudetMaterials scienceelectronic-structurePhysics MultidisciplinaryFOS: Physical sciencesmagnetic couplingelektronitmagneettikentätKinetic energyteoriatORBITAL PHYSICSCondensed Matter - Strongly Correlated ElectronsCondensed Matter::Materials ScienceANTIFERROMAGNETISMHUBBARD-MODELPhysics - Chemical PhysicsSUPEREXCHANGE INTERACTIONSdensity functional theoryChemical Physics (physics.chem-ph)Condensed Matter - Materials SciencecomplexesScience & TechnologyStrongly Correlated Electrons (cond-mat.str-el)Condensed matter physicsCRYSTALmagnetic insulatorsPhysicsSUPERCONDUCTIVITYExchange interactionMaterials Science (cond-mat.mtrl-sci)transitionORDERhubbard-modelsuperexchange interactionsWannier function methodsELECTRONIC-STRUCTUREFerromagnetismPhysical SciencesCondensed Matter::Strongly Correlated ElectronsCOMPLEXESTRANSITION
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Comparative Experimental and Theoretical Study of the Fe L-2,L-3-Edges X-ray Absorption Spectroscopy in Three Highly Popular, Low-Spin Organoiron Com…

2019

The occupied and unoccupied electronic structures of three highly popular, closed shell organoiron complexes ([Fe(CO)(5)], [(eta(5)-C5H5 )Fe(CO)(mu-CO)](2), and [(eta(5)-C5H5)(2)Fe]) have been theoretically investigated by taking advantage of density functional theory (DFT) calculations coupled to the isolobal analogy (Elian et al. Inorg. Chem. 1976, 15, 1148). The adopted approach allowed us to look into the relative role played by the ligand -> Fe donation and the Fe -> ligand back-donation in title molecules, as well as to investigate how CO- (terminal or bridging) and [(eta(5)-C5H5)](-)-based pi* orbitals compete when these two ligands are simultaneously present as in [(eta(5)-C5H…

XASXAS spectroscopy Organoiron complexes DFT.High Resolution X-Ray Absorption SpectroscopyFe L23 edgegas phasedensity functional theory
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Polar Localization of a Tripartite Complex of the Two-Component System DcuS/DcuR and the Transporter DctA in Escherichia coli Depends on the Sensor K…

2014

The C4-dicarboxylate responsive sensor kinase DcuS of the DcuS/DcuR two-component system of E. coli is membrane-bound and reveals a polar localization. DcuS uses the C4-dicarboxylate transporter DctA as a co-regulator forming DctA/DcuS sensor units. Here it is shown by fluorescence microscopy with fusion proteins that DcuS has a dynamic and preferential polar localization, even at very low expression levels. Single assemblies of DcuS had high mobility in fast time lapse acquisitions, and fast recovery in FRAP experiments, excluding polar accumulation due to aggregation. DctA and DcuR fused to derivatives of the YFP protein are dispersed in the membrane or in the cytosol, respectively, when …

Yellow fluorescent proteinCardiolipinslcsh:MedicineMicrobiologyMreBMicrobial PhysiologyBacterial Physiologylcsh:ScienceCytoskeletonMicrobial MetabolismDicarboxylic Acid TransportersMultidisciplinaryEscherichia coli K12biologyBacterial GrowthEscherichia coli Proteinslcsh:RMicrobial Growth and DevelopmentBiology and Life SciencesFluorescence recovery after photobleachingBacteriologyFusion proteinTwo-component regulatory systemBacterial BiochemistryTransport proteinDNA-Binding ProteinsProtein TransportBiochemistryCytoplasmMultiprotein ComplexesBiophysicsbiology.proteinlcsh:QProtein KinasesResearch ArticleDevelopmental BiologyTranscription FactorsPLoS ONE
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A note on the Lawrence-Krammer-Bigelow representation

2002

A very popular problem on braid groups has recently been solved by Bigelow and Krammer, namely, they have found a faithful linear representation for the braid group B_n. In their papers, Bigelow and Krammer suggested that their representation is the monodromy representation of a certain fibration. Our goal in this paper is to understand this monodromy representation using standard tools from the theory of hyperplane arrangements. In particular, we prove that the representation of Bigelow and Krammer is a sub-representation of the monodromy representation which we consider, but that it cannot be the whole representation.

[ MATH.MATH-GT ] Mathematics [math]/Geometric Topology [math.GT]Pure mathematicsLinear representation[ MATH.MATH-GR ] Mathematics [math]/Group Theory [math.GR]Braid group20F36Group Theory (math.GR)52C3001 natural sciences[MATH.MATH-GR]Mathematics [math]/Group Theory [math.GR]52C35Mathematics - Geometric TopologyMathematics::Group TheoryMathematics::Algebraic Geometry[MATH.MATH-GT]Mathematics [math]/Geometric Topology [math.GT]0103 physical sciencesFOS: Mathematics20F36 52C35 52C30 32S22braid groups0101 mathematicsMathematics::Representation TheoryComputingMilieux_MISCELLANEOUSMathematics[MATH.MATH-GT] Mathematics [math]/Geometric Topology [math.GT][MATH.MATH-GR] Mathematics [math]/Group Theory [math.GR]linear representations010102 general mathematicsRepresentation (systemics)FibrationSalvetti complexesGeometric Topology (math.GT)Mathematics::Geometric TopologyHyperplaneMonodromy010307 mathematical physicsGeometry and TopologyMathematics - Group Theory32S22
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Etude de la stabilité de films industriels de PLA et de leur modification de surface pour des applications en tant qu'emballage alimentaire biodégrad…

2017

Poly(lactic acid) (PLA) is a biodegradable and renewable polyester, which is considered as the most promising eco-friendly substitute of conventional plastics. It is mainly used for food packaging applications, but some drawbacks still reduce its applications. On the one hand, its low barrier performance to gases (e.g. O2 and CO2) limits its use for applications requiring low gas transfer, such as modified atmosphere packaging (MAP) or for carbonate beverage packaging. On the other hand, its natural water sensitivity, which contributes to its biodegradation, limits its use for high moisture foods with long shelf life.Other biopolymers such as wheat gluten (WG) can be considered as interesti…

[ SPI.OTHER ] Engineering Sciences [physics]/OtherFilm comestibleBiodégradabilitéFood packagingSurface modificationLaminatesModification de surfaceAcide polylactique (PLA)Emballage alimentaireStabilité des biopolymèresVieillissement accéléré[SPI.OTHER] Engineering Sciences [physics]/OtherStorage test[ SDV.IDA ] Life Sciences [q-bio]/Food engineeringBiodegradable multilayersWheat gluten films[ SDV.BIO ] Life Sciences [q-bio]/BiotechnologyGluten de blé[SDV.IDA] Life Sciences [q-bio]/Food engineering[ SDV.IB.BIO ] Life Sciences [q-bio]/Bioengineering/Biomaterials[SDV.BIO] Life Sciences [q-bio]/Biotechnology[SDV.IB.BIO] Life Sciences [q-bio]/Bioengineering/BiomaterialsEdible filmsBiopolymer stabilityBiobased complexesEmballage multicouchePLA
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Mass spectrometry for the study of protein-ligand interactions and supramolecular complexes: Application to an intrinsically disordered protein

2015

International audience

[CHIM.ANAL] Chemical Sciences/Analytical chemistryNoncovalent interactionMass spectrometry[SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]proline rich-proteins[SDV]Life Sciences [q-bio][SDV.BBM.BP] Life Sciences [q-bio]/Biochemistry Molecular Biology/Biophysics[SDV] Life Sciences [q-bio][SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biophysics[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM][CHIM.ANAL]Chemical Sciences/Analytical chemistry[SDV.BBM] Life Sciences [q-bio]/Biochemistry Molecular Biology[SDV.BBM]Life Sciences [q-bio]/Biochemistry Molecular Biologysalivary proline rich-proteinsmass spectrometry noncovalent complexesNoncovalent ComplexTanninsComputingMilieux_MISCELLANEOUS
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Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands

2020

The possibility of achieving luminescent and photophysically active metal-organic compounds relies on the stabilization of charge transfer states and kinetically and thermodynamically blocking non-...

[CHIM.INOR] Chemical Sciences/Inorganic chemistryDenticity02 engineering and technology[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesChemical synthesischemistry.chemical_compoundPyridinePolymer chemistry[CHIM] Chemical Sciences[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical Chemistryfused NHCComputingMilieux_MISCELLANEOUSphotophysicsLigandMinimum Energy Path[CHIM.COOR] Chemical Sciences/Coordination chemistry021001 nanoscience & nanotechnology3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic Materials[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistryGeneral Energyiron complexeschemistrydecay process0210 nano-technologyLuminescenceTD-DFT
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Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

2020

The control of ligand-field splitting in iron (II) complexes is critical to slow down the metal-to-ligand charge transfer (MLCT)-excited states deactivation pathways. The gap between the metal-centered states is maximal when the coordination sphere of the complex approaches an ideal octahedral geometry. Two new iron(II) complexes (C1 and C2), prepared from pyridylNHC and pyridylquinoline type ligands, respectively, have a near-perfect octahedral coordination of the metal. The photophysics of the complexes have been further investigated by means of ultrafast spectroscopy and TD-DFT modeling. For C1, it is shown that&mdash

[CHIM.INOR] Chemical Sciences/Inorganic chemistryLigand field theoryCoordination sphereMaterials scienceIronPharmaceutical Scienceexcited states dynamics[CHIM.INOR]Chemical Sciences/Inorganic chemistryCrystallography X-RayLigands010402 general chemistry01 natural sciencesArticletime-resolved spectroscopyAnalytical Chemistrylcsh:QD241-441MetalX-Ray Diffractionlcsh:Organic chemistryDrug DiscoveryOctahedral molecular geometry[CHIM.CRIS]Chemical Sciences/Cristallographyiron (II) complexes[CHIM.COOR]Chemical Sciences/Coordination chemistryFerrous Compounds[CHIM.CRIS] Chemical Sciences/CristallographyPhysical and Theoretical Chemistryoctahedral geometrydensity functional theoryComputingMilieux_MISCELLANEOUSMolecular Structure010405 organic chemistryLigandOrganic Chemistry[CHIM.COOR] Chemical Sciences/Coordination chemistry0104 chemical sciences3. Good healthCrystallographyOctahedron[CHIM.OTHE] Chemical Sciences/OtherChemistry (miscellaneous)Excited statevisual_artvisual_art.visual_art_mediumThermodynamicsMolecular MedicineDensity functional theory[CHIM.OTHE]Chemical Sciences/Other
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