Search results for "Molecule"

showing 10 items of 5162 documents

Crystal structure, spectroscopic characterisation and magnetic properties of [Cu(BIP)(N3)]·H2O (BIP=3,3-bis(2-imidazolyl)propionate), a copper(II) po…

2001

Abstract The structure and the spectroscopic and magnetic properties of [3,3-bis(2-imidazolyl)propionato]azidocopper(II) monohydrate are described. The compound is built of [Cu(BIP)N3] entities which are connected through carboxylate groups from the BIP molecules —which act as a tridentate ligand—and asymmetrical μ-1,3-azido bridges, leading to a polymeric sheet-like structure. The copper atom is involved in a CuN3ON′ chromophore and lies in a distorted square-pyramidal environment. Both electronic and EPR spectra are indicative of an essentially dx2−y2 ground state for the copper(II) ions. Magnetic susceptibility measurements in the range 1.8–200 K show very weak antiferromagnetic exchange…

chemistry.chemical_elementCrystal structureChromophoreCopperMagnetic susceptibilitylaw.inventionInorganic ChemistryMetalCrystallographychemistry.chemical_compoundchemistrylawvisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculeCarboxylatePhysical and Theoretical ChemistryElectron paramagnetic resonanceInorganica Chimica Acta
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Syntheses, crystal structures and magnetic properties of chromato-, sulfato-, and oxalato-bridged dinuclear copper(II) complexes

2000

Abstract Four dinuclear copper(II) complexes of formula [Cu2(bpca)2(H2O)3(CrO4)]·H2O (1), [Cu2(bpca)2(H2O)3(SO4)]·H2O (2), [Cu2(bpca)2(H2O)2(C2O4)]·2H2O (3), and [Cu2(bpca)2(C2O4)] (4) [bpca=bis(2-pyridylcarbonyl)amide anion] have been synthesized and their magnetic behavior has been investigated as a function of temperature. The structures of 1–3 have been determined by single-crystal X-ray diffraction, whereas the structure of 4 was already known. The structures of this family of complexes are made up of neutral chromateO1,O1′ (1), sulfateO1,O1′ (2) and oxalateO1,O2:O1′,O2′-bridged (3 and 4) dinuclear copper(II) units. The two copper atoms within the dinuclear unit of the isomorphous c…

chemistry.chemical_elementCrystal structureCopperSquare pyramidal molecular geometryInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryOctahedronAmideIntramolecular forceAtomMaterials ChemistryMoleculePhysical and Theoretical ChemistryInorganica Chimica Acta
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Playing with different metalloligands [NiL] and Hg to [NiL] ratios to tune the nuclearity of Ni(II)–Hg(II) complexes: Formation of di-, tri-, hexa- a…

2015

Abstract Five new hetero-metallic nickel(II)–mercury(II) complexes, [(NiL1)HgCl2] (1), [(NiL1)2HgCl2] (3), [(NiL1)2Hg(N3)2] (4), [{(NiL2)2Hg(N3)(μ1,1-N3)}2] (5) and [{(NiL2)2Hg(N3)(μ1,1-N3)HgCl2}2{Hg(N3)(μ1,1-N3)}] (6) have been synthesized by reacting metalloligands [NiL1] or [NiL2] (where H2L1 is N,N′-bis(salicylidene)-1,2-ethylenediamine and H2L2 is N,N′-bis(salicylidene)-1,3-propanediamine) with HgX2 (X− = Cl− or N3−) at different molar ratios. All five complexes have been characterised by X-ray single-crystal structural, elemental and spectroscopic analyses. In complex 1, the Hg(II) ion is coordinated to two phenoxido oxygen atoms of one [NiL1] moiety and two terminal chloride ions to …

chemistry.chemical_elementCrystal structureHEXAInorganic ChemistryNickelchemistry.chemical_compoundCrystallographyMolecular geometryOctahedronchemistryMaterials ChemistryMoleculeMoietyAzidePhysical and Theoretical ChemistryPolyhedron
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Oxalate, squarate and croconate complexes with bis(2-pyrimidylcarbonyl)amidatecopper(II): synthesis, crystal structures and magnetic properties

2005

Abstract The preparation and magnetic properties of three copper(II) compounds of formulae [Cu2(bpcam)2(H2O)2(C2O4)] (1), [Cu2(bpcam)2(H2O)4(C4O4)] · 10 H2O (2) and Cu2(bpcam)2(C5O5)(H2O)3 (3) [bpcam = bis(2-pyrimidyl)amidate, C 2 O 4 2 - = dianion of oxalic acid , C 4 O 4 2 - = dianion of 3 , 4 - dihydroxycyclobut - 3 - ene - 1 , 2 - dione and C 5 O 5 2 - = dianion of 4 , 5 - dihydroxycyclopent - 4 - ene - 1 , 2 , 3 - trione ] are reported. The structures of two of them (1 and 2) have been solved by single crystal X-ray diffraction and consists of centrosymmetric discrete copper(II) dinuclear units bridged by bis-bidentate oxalate (1) and bis-monodentate squarate (2), with the bpcam group …

chemistry.chemical_elementCrystal structureMagnetic susceptibilityCopperOxalateInorganic Chemistrychemistry.chemical_compoundCrystallographyOctahedronchemistryIntramolecular forceMaterials ChemistryMoleculePhysical and Theoretical ChemistryCoordination geometryInorganica Chimica Acta
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Modular Approach to 9-Monosubstituted Fluorene Derivatives Using Mo(V) Reagents.

2016

Oxidative coupling using molybdenum(V) reagents provides fast access to highly functionalized 9-monosubstituted fluorenes. This synthetic approach is highly modular, is high yielding, and tolerates a variety of labile moieties, e.g. amides or iodo groups. The established protocol leads to promising precursors for pharmacologically important analogues of melatonin.

chemistry.chemical_elementFluorene010402 general chemistry01 natural sciencesBiochemistryHigh yieldingchemistry.chemical_compoundMoleculeOrganic chemistryCombinatorial Chemistry TechniquesPhysical and Theoretical ChemistryMelatoninMolybdenumFluorenesMolecular StructureOxidative Coupling010405 organic chemistrybusiness.industryOrganic ChemistryModular design0104 chemical scienceschemistryMolybdenumReagentOxidative coupling of methaneIndicators and ReagentsbusinessOrganic letters
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Formation of meso-1,2-Bis(dimethylamino)-1,2-diphenylethane by Oxidative C-C Coupling Reaction

2005

The title compound was obtained from the reaction of N,N-dimethylbenzylamine with n-butyl lithium and sulfur in tetrahydrofuran at room temperature. Its molecular structure was investigated by means of single crystal X-ray diffraction and quantum chemical DFT methods. The formation of meso-1,2-bis(dimethylamino)-1,2-diphenylethane is likely to be due to an unusual α-deprotonation of N,N-dimethylbenzylamine, instead of the well known ortho-lithiation, with a subsequent oxidative C-C coupling of the anions. Ab initio calculations of the corresponding α- and o-deprotonated anions of N,N-dimethylbenzylamine showed the former to be more stable than the latter, due to delocalisation of the negati…

chemistry.chemical_elementGeneral ChemistryCrystal structureRing (chemistry)Medicinal chemistrySolventchemistry.chemical_compoundchemistryAb initio quantum chemistry methodsComputational chemistryMoleculeLithiumSingle crystalTetrahydrofuranZeitschrift für Naturforschung B
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ChemInform Abstract: Unique Reactivity of Fluorinated Molecules with Transition Metals

2015

Organofluorine and organometallic chemistry by themselves constitute two potent areas in organic synthesis. Thus, the combination of both offers many chemical possibilities and represents a powerful tool for the design and development of new synthetic methodologies leading to diverse molecular structures in an efficient manner. Given the importance of the selective introduction of fluorine atoms into organic molecules and the effectiveness of transition metals in C-C and C-heteroatom bond formation, this review represents an interesting read for this aim.

chemistry.chemical_elementGeneral MedicineBond formationCombinatorial chemistryOrganic moleculeschemistry.chemical_compoundchemistryTransition metalFluorineMoleculeOrganic chemistryReactivity (chemistry)Organic synthesisOrganometallic chemistryChemInform
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Ring-opening metathesis of some strained bicyclic systems; stereocontrolled access to diolefinated saturated heterocycles with multiple stereogenic c…

2018

Ring-opening metathesis (ROM) of various unsaturated, constrained bicyclic ring systems has been investigated with the use of commercial ruthenium-based catalysts. Starting from various cyclodienes, the corresponding derived bicyclic lactone, lactam, and isoxazoline derivatives were submitted to ROM under ethenolysis. These functionalized, strained bicyclic systems afforded novel highly-functionalized diolefinated heterocyclic scaffolds in ROM reactions with stereocontrol, through the conservation of the configuration of the stereogenic centers of the starting compounds.

chemistry.chemical_elementstereogenic centers010402 general chemistryMetathesisRing (chemistry)01 natural sciencesFull Research PaperStereocenterlcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistrylcsh:Sciencering openingchemistry.chemical_classificationEthenolysisheterocyclesBicyclic molecule010405 organic chemistryChemistryOrganic ChemistryCombinatorial chemistry0104 chemical sciencesRutheniumChemistryLactamfunctionalizationlcsh:QmetathesisLactoneBeilstein Journal of Organic Chemistry
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Bidirectional Chemo-Switching of Spin State in a Microporous Framework

2009

The ins and outs of spin: Using the microporous coordination polymer {Fe(pz)[Pt(CN)(4)]} (1, pz=pyrazine), incorporating spin-crossover subunits, two-directional magnetic chemo-switching is achieved at room temperature. In situ magnetic measurements following guest vapor injection show that most guest molecules transform 1 from the low-spin (LS) state to the high-spin (HS) state, whereas CS(2) uniquely causes the reverse HS-to-LS transition.

chemo-switchingSpin statesPyrazinemicroporous materialsCoordination polymerGeneral ChemistryMicroporous materialCatalysiscoordination polymerschemistry.chemical_compoundCrystallographyspin crossoverchemistrySpin crossoverMoleculeMetal-organic frameworkSpin (physics)metal-organic frameworksAngewandte Chemie International Edition
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The hedgehog receptor patched is involved in cholesterol transport.

2011

International audience; BACKGROUND: Sonic hedgehog (Shh) signaling plays a crucial role in growth and patterning during embryonic development, and also in stem cell maintenance and tissue regeneration in adults. Aberrant Shh pathway activation is involved in the development of many tumors, and one of the most affected Shh signaling steps found in these tumors is the regulation of the signaling receptor Smoothened by the Shh receptor Patched. In the present work, we investigated Patched activity and the mechanism by which Patched inhibits Smoothened. METHODOLOGY/PRINCIPAL FINDINGS: Using the well-known Shh-responding cell line of mouse fibroblasts NIH 3T3, we first observed that enhancement …

ciliumlcsh:MedicineyeastBiochemistryReceptors G-Protein-CoupledTransmembrane Transport ProteinsMicechemistry.chemical_compound0302 clinical medicineMolecular Cell Biology[SDV.IDA]Life Sciences [q-bio]/Food engineeringMembrane Receptor SignalingBiomacromolecule-Ligand InteractionsSonic hedgehoglcsh:ScienceComputingMilieux_MISCELLANEOUS0303 health sciencesMultidisciplinaryMechanisms of Signal TransductionVeratrum Alkaloids[SDV.IDA] Life Sciences [q-bio]/Food engineeringdrosophilaSmoothened ReceptorLipidsHedgehog signaling pathwayCell biologySterolsSmoothened ReceptorAlimentation et Nutritionembryonic structurescilMembranes and Sorting[SDV.NEU]Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC]Signal transductionvesicular traffickingSignal TransductionResearch Articleprimary ciliumPatched ReceptorsPatchedsignal-transductionanimal structuresCyclopamine[SPI.GPROC] Engineering Sciences [physics]/Chemical and Process EngineeringBiophysicsReceptors Cell Surfacepathway activationSaccharomyces cerevisiaetransduction du signalBiology03 medical and health sciencessonic hedgehoglipidAnimalsHumansFood and NutritionHedgehog Proteins[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringBiology030304 developmental biologyPatched Receptorsprotein signalsCell Membranelcsh:RProteinscholesterolBiological TransportTransmembrane Proteinssterol-sensing domainchemistry[ SDV.NEU ] Life Sciences [q-bio]/Neurons and Cognition [q-bio.NC]NIH 3T3 Cellscholesterol;lipid;cell trafficking; yeast;drosophila;cells ; pathway activation; vesicular trafficking; signal-transduction; sonic hedgehog;sterol-sensing domain; primary cilium;protein signalsbiology.proteincellslcsh:Qcell traffickingSmoothened030217 neurology & neurosurgery
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