Search results for "Complexes."

showing 10 items of 857 documents

Energy Transfer between Surface-Immobilized Light-Harvesting Chlorophyll a/b Complex (LHCII) Studied by Surface Plasmon Field-Enhanced Fluorescence S…

2010

The major light-harvesting chlorophyll a/b complex (LHCII) of the photosynthetic apparatus in green plants can be viewed as a protein scaffold binding and positioning a large number of pigment molecules that combines rapid and efficient excitation energy transfer with effective protection of its pigments from photobleaching. These properties make LHCII potentially interesting as a light harvester (or a model thereof) in photoelectronic applications. Most of such applications would require the LHCII to be immobilized on a solid surface. In a previous study we showed the immobilization of recombinant LHCII on functionalized gold surfaces via a 6-histidine tag (His tag) in the protein moiety. …

Models MolecularChlorophyll aProtein ConformationSurface PropertiesLight-Harvesting Protein ComplexesPhotochemistryFluorescence spectroscopyAbsorptionchemistry.chemical_compoundFluorescence Resonance Energy TransferElectrochemistryMoleculeGeneral Materials ScienceSpectroscopyFluorescent DyesSurface plasmonPeasSurfaces and InterfacesEnzymes ImmobilizedCondensed Matter PhysicsPhotobleachingFluorescenceAcceptorKineticsB vitaminschemistryLangmuir
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Thermally Activated Superradiance and Intersystem Crossing in the Water-Soluble Chlorophyll Binding Protein

2009

The crystal structure of the class IIb water-soluble chlorophyll binding protein (WSCP) from Lepidium virginicum is used to model linear absorption and circular dichroism spectra as well as excited state decay times of class IIa WSCP from cauliflower reconstituted with chlorophyll (Chl) a and Chl b. The close agreement between theory and experiment suggests that both types of WSCP share a common Chl binding motif, where the opening angle between pigment planes in class IIa WSCP should not differ by more than 10 degrees from that in class IIb. The experimentally observed (Schmitt et al. J. Phys. Chem. B 2008, 112, 13951) decrease in excited state lifetime of Chl a homodimers with increasing …

Models MolecularCircular DichroismDimerExcitonStatic ElectricityLight-Harvesting Protein ComplexesTemperatureWaterCrystal structureCrystallography X-RayPhotochemistryLepidiumSurfaces Coatings and Filmschemistry.chemical_compoundCrystallographyIntersystem crossingSolubilitychemistryChlorophyllExcited stateMaterials ChemistryChlorophyll bindingQuantum TheoryPhysical and Theoretical ChemistryAbsorption (chemistry)The Journal of Physical Chemistry B
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DNA binding and antiproliferative activity toward human carcinoma cells of copper(ii) and zinc(ii) complexes of a 2,5-diphenyl[1,3,4]oxadiazole deriv…

2012

The interaction of calf thymus DNA with [CuL(ClO(4))]ClO(4)·H(2)O (1) and [ZnLBr]Br·H(2)O (2) (L = 9,12,15,18,27,28-hexaaza-29-oxatetracyclo[24.2.1.0(2,7).0(20,25)]enneicosa-2,4,6,20,22,24,26,28(1)-octaene) dicationic complexes in aqueous solution at neutral pH, was investigated by variable-temperature UV-vis absorption, circular dichroism and fluorescence spectroscopy. The values of the DNA-binding constants of these complexes, determined by competitive binding spectrofluorimetric titrations of ethidium bromide (EB)-DNA solutions, are (6.7 ± 0.5) × 10(6) M(-1) for CuL(2+) and (4.7 ± 0.5) × 10(5) M(-1) for ZnL(2+). These data together with a through analysis of the spectroscopic behaviour c…

Models MolecularCircular dichroismDNA binding antiproliferative activity 25-diphenyl[134]oxadiazole derivativeStereochemistryCell SurvivalOxadiazoleAntineoplastic AgentsBreast NeoplasmsNucleic Acid DenaturationFluorescence spectroscopyInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesCell Line TumorHumansOxazolesAqueous solutionDNAIn vitroZincchemistrySettore CHIM/03 - Chimica Generale E InorganicaTitrationFemaleEthidium bromideDNACopper
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A simple helical macrocyclic polyazapyridinophane as a stereoselective receptor of biologically important dicarboxylates under physiological conditio…

2007

The interaction of a synthetic enantiopure azamacrocyclic receptor (L) with biologically important chiral dicarboxylates (A, 1-7) has been studied by means of potentiometric titrations in 0.15 M NaCl aqueous solution in a wide pH range. This macrocycle forms strong complexes of the type [HnLA](n-2) (with n = 0-5). As a general trend, the binding is much tighter at basic or neutral pH than in acidic medium. Interestingly, nonprotected excitatory amino acids (Asp and Glu) are strongly bound even at acidic pH. Regarding selectivity, the receptor showed stereoselective binding toward those substrates bearing an H-bonding donor at Calpha, being S-selective in most of the cases, except for glutam…

Models MolecularCircular dichroismMacrocyclic CompoundsStereochemistryPyridinesPotentiometric titrationCarboxylic AcidsProtonationTartrateSodium Chloridechemistry.chemical_compoundAza CompoundsBinding SitesMolecular StructureChemistryOrganic ChemistryOsmolar ConcentrationWaterStereoisomerismGlutamic acidHydrogen-Ion ConcentrationSolutionsEnantiopure drugStability constants of complexesStereoselectivityProtonsThe Journal of organic chemistry
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Two copper complexes from two novel naphthalene-sulfonyl-triazole ligands: different nuclearity and different DNA binding and cleavage capabilities.

2013

[EN] Two novel naphthalene-sulfonyl-triazole ligands, 5-amino-N1-(naphthalen-3-ylsulfony1)-1,2,4-triazole (anstrz) and 3,5-diamino-N1-(naphthalen-3-ylsulfony1)-1,2,4-triazole (danstrz), purposely designed to interact with DNA, have been prepared for the first time and then fully characterized by H-1, C-13 NMR and IR spectroscopy, mass spectrometry and elemental analysis. The crystal structures of two copper complexes of these derivatives, i.e. [Cu(anstrz)(4)(NO3)(2)]center dot 4CH(3)OH (1), mononuclear, and [Cu(danstrz)(mu-OAc)(2)](2)center dot 2(danstrz) (OAc = acetato) (2), dinuclear, have been determined by single-crystal X-ray diffraction. In both cases the ligand coordinates in a monod…

Models MolecularDenticity124-Triazole ligandsStereochemistryTriazolePaddle wheel type copper acetate compoundCrystal structureNaphthalenesCrystallography X-RayLigandsBiochemistryInorganic Chemistrychemistry.chemical_compoundX-Ray DiffractionCoordination ComplexesBIOQUIMICA Y BIOLOGIA MOLECULARSulfonesBinding siteDNA CleavageCu(II)-triazole complexesBond cleavageNuclease activitySulfonylchemistry.chemical_classificationSulfonamidesBinding SitesDeoxyribonucleasesChemistryLigandDNATriazolesBinding constantDNA interactionCrystallographyCopperJournal of inorganic biochemistry
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Antiferromagnetic porous metal-organic framework containing mixed-valence [Mn(II)4Mn(III)2(μ4-O)2]10+ units with catecholase activity and selective g…

2012

A multifunctional porous metal organic framework based on mixed-valence hexa-nuclear [Mn(III)(2)Mn(II)(4)O(2)(pyz)(2)(C(6)H(5)CH(2)COO)(10)] (pyz = pyrazine) units has been synthesized. The complex has been characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis, and variable-temperature magnetic measurements. The structural analysis reveals that the bidentate pyz molecules connect each [Mn(6)] unit to its four [Mn(6)] neighbors through the peripheral Mn(II) centers, giving rise to a three-dimensional (3D) distorted diamond-like porous framework. Variable-temperature (2-300 K) magnetic susceptibility measurements show the presence of dominant antiferr…

Models MolecularDenticityAcetonitrilesPyrazineStereochemistryCatecholsInfrared spectroscopyCrystallography X-RayInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesAntiferromagnetismMoleculePhysical and Theoretical ChemistryAcetonitrileManganeseValence (chemistry)Molecular StructureChemistryHydrolysisMagnetic PhenomenaTemperatureCarbon DioxideMagnetic susceptibilityCrystallographyKineticsPyrazinesAdsorptionGasesOxidation-ReductionPorosityInorganic chemistry
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Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

2018

Three new tetranuclear iron(III) and zinc(II) complexes, [Fe4(cpdp)2(phth)2(OH)2]·8H2O (1), [Fe4(cpdp)2(terephth)2(OH)2] (2), and [Zn4(Hcpdp)2(suc)]Br2·12H2O (3), have been synthesized as models for the active site of phosphoester hydrolases by utilizing a polydentate ligand, N, N'-bis[2-carboxybenzomethyl]- N, N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H3cpdp) in combination with exogeneous phthalate (phth), terephthalate (terephth), and succinate (suc). Single crystal X-ray analyses reveal that the metallic core of complex 1 consists of four distorted octahedral iron(III) ions with average intraligand Fe---Fe separation of 3.656(2) A, while the structure 3 represents a tetranuclear m…

Models MolecularDenticityIronDimerchemistry.chemical_elementZincCrystallography X-Ray010402 general chemistry01 natural sciencesMass SpectrometryInorganic Chemistrychemistry.chemical_compoundDrug StabilityCoordination ComplexesCatalytic DomainMoleculePhysical and Theoretical Chemistrybiology010405 organic chemistryLigandChemistryActive siteHydrogen-Ion ConcentrationPhosphoric Monoester Hydrolases0104 chemical sciencesSolutionsZincCrystallographyTrigonal bipyramidal molecular geometryOctahedronbiology.proteinQuantum TheoryInorganic Chemistry
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Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids

2013

Solution and solid state studies on Cu(II) complexes of pyridine-2-hydroxamic acid (HPicHA) and pyridine-2,6-dihydroxamic acid (H2PyDHA) were carried out. The use of methanol/water solvent allowed us to investigate the Cu(II)-HPicHA equilibria under homogeneous conditions between pH 1 and 11. In agreement with ESI-MS indication, the potentiometric data fitted very well with the model usually reported for copper(II) complexes of α-aminohydroxamate complexes ([CuL](+), [Cu5(LH-1)4](2+), [CuL2], [CuL2H-1](-)), however with much higher stability of the 12-MC-4 species. A series of copper(II) complexes has been isolated in the solid state and characterized by a variety of spectroscopic methods, …

Models MolecularDenticityPyridinesPotentiometric titrationInorganic chemistrychemistry.chemical_elementCrystallography X-RayHydroxamic AcidsMedicinal chemistryMagnetic susceptibilityCopperInorganic ChemistrySolventchemistry.chemical_compoundchemistryCoordination ComplexesPyridineChelationMethanolProtonsPhysical and Theoretical Chemistryta116CopperInorganic Chemistry
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Translocation versus cyclisation in radicals derived from N-3-alkenyl trichloroacetamides

2011

Under radical reaction conditions, two different and competitive reaction pathways were observed for N-(alpha-methylbenzyl)trichloroacetamides with a N-3-cyclohexenyl substituent: 1,4-hydrogen translocation and radical addition to a double bond. However, for radicals with an acyclic alkenyl side chain, the direct cyclisation process was exclusively observed. The dichotomy between translocation and direct radical cyclisation in these substrates has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-31G** computational level.

Models MolecularFree RadicalsDouble bondStereochemistryRadicalSubstituentChromosomal translocationAlkenesBiochemistryPolarizable continuum modelchemistry.chemical_compoundQUIMICA ORGANICAAcetamidesQUIMICA ANALITICASide chainMoleculeTOOLChloroacetatesTrichloroacetic AcidPhysical and Theoretical ChemistryAMIDESchemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryCOPPER-COMPLEXESCyclizationPOLARIZABLE CONTINUUM MODELDensity functional theory
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Aminobisphenolate supported tungsten disulphido and dithiolene complexes

2015

Dioxotungsten(vi) complexes with tetradentate amino bisphenolates were converted into the corresponding Cs-symmetric amino bisphenolate disulphido complexes by a reaction with either Lawesson's reagent or P2S5. Further reaction with diethyl acetylenedicarboxylate leads to the formation of diamagnetic tungsten(iv) dithiolene compounds. The syntheses, crystal structures, spectroscopic and electrochemical characterization of such disulphido and dithiolene complexes are presented.

Models MolecularInorganic chemistryMolecular Conformationchemistry.chemical_elementOxidestungsten disulphidoCrystal structureSulfidesTungstenElectrochemistryTungstenInorganic ChemistryDiethyl acetylenedicarboxylatechemistryReagentPolymer chemistryElectrochemistryHydroxybenzoatesOrganometallic Compoundsdithiolene complexesta116Dalton Transactions
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