Search results for "Spectroscopy"

showing 10 items of 10293 documents

Synthesis, characterization and self-assembly of three dicyanamide bridged polynuclear copper(II) complexes with N2O donor tridentate Schiff bases as…

2016

Three copper(II) complexes [Cu(L1)(μ1,5-dca)]n (1), [Cu(L2)(μ1,5-dca)]n (2) and [Cu(L3)(μ1,5-dca)]n (3) [where HL1 = (1-(2-(dimethylamino)ethylimino)ethyl) naphthalene-1-ol, HL2 = (1-(2-(methylamino)ethylimino)ethyl) naphthalene-1-ol and HL3 = (1-(2-(ethylamino)ethylimino)ethyl)naphthalene-1-ol] have been synthesized and characterized by elemental analysis, IR and UV–Vis spectroscopy. The structure of each complex has been confirmed by single-crystal X-ray diffraction studies. In all three complexes, copper(II) centres are bridged by dicyanamide in end to end fashion. Complexes 1 and 2 are zigzag polymers, whereas complex 3 is a helical one. The weak forces like C–H⋯π and π⋯π interactions i…

crystal structureStereochemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundpolynuclearMaterials ChemistryPhysical and Theoretical ChemistrySpectroscopyta116DicyanamidedicyanamideSchiff base010405 organic chemistryChemistryschiff baseCopper0104 chemical sciencesMolecular networkCrystallographySelf-assemblycopper(II)Polyhedron
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Novel 2,6-disubstituted phenylboronic compounds - Synthesis, crystal structures, solution behaviour and reactivity

2015

Abstract 2,6-Diformylphenylboronic acid has been synthesized and characterized both in the solid state as well as in solution. In crystal, an unusual structural pattern has been found with the formation of intermolecular hydrogen bonds by B(OH) 2 and CHO groups as well as water molecules. In solution tautomeric equilibrium with the formation of oxaborole ring by one of the formyl groups was proved on the basis of multinuclear NMR spectroscopy. The title compound reacts with secondary mono- and diamines to form various types of substituted benzoxaboroles, which have been characterized by XRD and spectroscopic methods.

crystal structureboronic acidsChemistryHydrogen bondOrganic ChemistryCrystal structureNuclear magnetic resonance spectroscopyRing (chemistry)BiochemistryTautomerreductive aminationtautomeric equilibriaInorganic ChemistryCrystalbenzoxaborolesPolymer chemistryMaterials ChemistryMoleculeReactivity (chemistry)Physical and Theoretical ChemistryJournal of Organometallic Chemistry
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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-di­aqua­[2,5-bis­(pyridin-4-yl)-1,3,4-oxa­diazole]di­thio­c…

2019

The NiII atom in the mononuclear title complex has an almost regular octa­hedral N4O2 coordination geometry. In the crystal, the complex mol­ecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.

crystal structurespectroscopyThio-chemistry.chemical_elementcoordination complexCrystal structure010403 inorganic & nuclear chemistry01 natural sciencesCoordination complexResearch CommunicationsCrystalchemistry.chemical_compound134-oxadiazoleGeneral Materials Sciencethio­cyanatechemistry.chemical_classificationthiocyanateCrystallographyThiocyanate010405 organic chemistryHydrogen bondGeneral ChemistryHirshfeld analysisCondensed Matter Physics0104 chemical sciencesCrystallographyNickel134-oxa­diazolechemistryQD901-999hydrogen bondsDiazoleActa Crystallographica Section E: Crystallographic Communications
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Unexpected behaviour of copper(I) towards a tridentate Schiff base: Synthesis, structure and properties of new Cu(I)-Cu(II) and Cu(II) complexes

2001

cited By 17; International audience; The reaction of CuBr with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine L afforded a new Cu(I)-Cu(II) derivative [CuBrL]2[Cu2Br4] (1), while the reaction of [Cu(CH3CN)4]PF6 with L in THF yielded the new Cu(I) compound CuL(THF)(CH3CN)PF6 (2). Derivative 2 further reacted with halogenated solvents to yield halogeno-Cu(II) salts, [CuClL]PF6 (3) using CHCl3 and [CuBrL]Br3 (4) using CHBr3. Compounds 1, 3 and 4 have been fully characterised by X-ray crystallography; they contain essentially similar [CuXL]+ cations with a square planar copper(II) co-ordination. However, the structure of compound 1 must be viewed as built of tetranuclear units since two […

crystal structurespectroscopysynthesisStereochemistry2chemistry.chemical_elementcyclic potentiometrypyridine derivativeCrystal structure010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistrysolventIonInorganic Chemistrychemistry.chemical_compoundSchiff basecopper derivativehalogenationPyridineMaterials Chemistry[CHIM]Chemical SciencesPhysical and Theoretical Chemistrychemical bondSchiff base010405 organic chemistryChemistry6 bis[2chemical interactionarticleanionX ray crystallographyCopperstructure analysis0104 chemical sciencescationunclassified drug6 diisopropylphenylimino)ethyl]pyridineelectrochemistryYield (chemistry)magnetismDerivative (chemistry)copper bromide
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Characterization of spatial porosity and mineral distribution of crystalline rock using X-ray micro computed tomography, C-14-PMMA autoradiography an…

2019

The spatial porosity and mineral distribution of geological materials strongly affects transport processes in them. X-ray micro computed tomography (X-mu CT) has proven to be a powerful tool for characterizing the spatial mineral distribution of geological samples in 3-D. However, limitations in resolution prevent an accurate characterization of pore space especially for tight crystalline rock samples and 2-D methods such as C-14-polymethylmethacrylate (C-14-PMMA) autoradiography and scanning electron microscopy (SEM) are needed. The spatial porosity and mineral distributions of tight crystalline rock samples from Aspo, Sweden, and Olkiluoto, Finland, were studied here. The X-mu CT were use…

crystalline rocksScanning electron microscopeFracture (mineralogy)pore structure116 Chemical sciences010501 environmental sciences010502 geochemistry & geophysics01 natural scienceshuokoisuusmineraalittietokonetomografiaSCALEX-ray micro computed tomographyMineralcrystalline rockResolution (electron density)PollutionheterogeenisuusCharacterization (materials science)INTERFACEMICROTOMOGRAPHYPore structurePorosityScanning electron microscopyscanning electron microscopyCrystalline rock1171 GeosciencesMaterials scienceC-14-PMMA autoradiographyEnergy-dispersive X-ray spectroscopyMineralogyelektronimikroskopiaSpatial distributionFRACTURESGeochemistry and Petrologyenergy dispersive X-ray spectroscopyEnvironmental ChemistryOLKILUOTOPorosityIMPREGNATIONSIMULATION APPROACHkivi0105 earth and related environmental sciencesEnergy dispersive X-ray spectroscopyta114röntgentutkimusDIFFUSION EXPERIMENTRESOLUTIONHeterogeneityCrystalline rocksCONNECTED POROSITY
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Spontaneous Resolution of an Electron‐Deficient Tetrahedral Fe4L4cage

2015

A highly electron-deficient C3-symmetric tris(bipyridyl) ligand was prepared in four steps and used for the coordination of Fe(OTf)2, thereby resulting in the homochiral assembly of a new family of robust tetrahedral M4L4 cages. This homochiral T-symmetric cage containing a relatively large cavity of 330 A(3) is capable of encapsulating an anionic guest, as was determined by mass spectrometry, (19)F NMR spectroscopy, and finally shown from its crystal structure. Moreover, crystallization of the cage from CH3CN led to crystals containing both (ΔΔΔΔ and ΛΛΛΛ) enantiomers, while crystallization from CH3 OH resulted in crystals containing only the right-handed (ΔΔΔΔ) cage. The difference in the…

crystallization010405 organic chemistryChemistryLigandelectron-deficient tetrahedral Fe4L4Supramolecular chemistryGeneral ChemistryNuclear magnetic resonance spectroscopyCrystal structureGeneral Medicine010402 general chemistry01 natural sciencesCatalysis0104 chemical scienceslaw.inventionCrystalCrystallographylawX-ray crystallographyCrystallizationChirality (chemistry)ta116Angewandte Chemie
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A new member of the fusaricidin family – structure elucidation and synthesis of fusaricidin E

2017

Two hitherto unknown fusaricidins were obtained from fermentation broths of three Paenibacillus strains. After structure elucidation based on tandem mass spectrometry and NMR spectroscopy, fusaricidin E was synthesized to confirm the structure and the suggested stereochemistry. The synthesis was based on a new strategy which includes an efficient access to the 15-guanidino-3-hydroxypentadecanoyl (GHPD) side chain from erucamide.

cyclodepsipeptidesStereochemistry010402 general chemistryTandem mass spectrometry01 natural sciencesFull Research Paperlcsh:QD241-441Paenibacilluslcsh:Organic chemistrySide chaintotal synthesislcsh:Sciencebiology010405 organic chemistryChemistryFamily structureOrganic Chemistrystructure elucidationTotal synthesisNuclear magnetic resonance spectroscopyfusaricidinsbiology.organism_classificationlipopeptides0104 chemical sciencesChemistryFermentationlcsh:QBeilstein Journal of Organic Chemistry
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A Low Dose of Pure Cannabidiol Is Sufficient to Stimulate the Cytotoxic Function of CIK Cells without Exerting the Downstream Mediators in Pancreatic…

2022

Despite numerous studies conducted over the past decade, the exact role of the cannabinoid system in cancer development remains unclear. Though research has focused on two cannabinoid receptors (CB1, CB2) activated by most cannabinoids, CB2 holds greater attention due to its expression in cells of the immune system. In particular, cytokine-induced killer cells (CIKs), which are pivotal cytotoxic immunological effector cells, express a high-level of CB2 receptors. Herein, we sought to investigate whether inducing CIK cells with cannabidiol can enhance their cytotoxicity and if there are any possible counter effects in its downstream cascade of phosphorylated p38 and CREB using a pancreatic d…

cytokine-induced killer cells; cannabidiol; pancreatic cancerpancreatic cancer.CannabinoidsOrganic ChemistryGeneral MedicineCatalysisComputer Science ApplicationsInorganic ChemistryPancreatic NeoplasmsReceptor Cannabinoid CB2Cytokine-Induced Killer CellsReceptor Cannabinoid CB1CannabidiolHumanslipids (amino acids peptides and proteins)Physical and Theoretical Chemistrycytokine-induced killer cellMolecular BiologySpectroscopyInternational Journal of Molecular Sciences; Volume 23; Issue 7; Pages: 3783
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Resolution Characterizations of JetRIS in Mainz Using 164Dy

2022

Atoms 10(2), 57 (2022). doi:10.3390/atoms10020057

de Laval nozzlenobeliumNuclear and High Energy PhysicsScience & TechnologyRESONANCE IONIZATION SPECTROSCOPYPhysicsJetRIS; fluorescence spectroscopy; gas-jet; de Laval nozzle; nobeliumPhysics Atomic Molecular & Chemicalfluorescence spectroscopyCondensed Matter Physics530Atomic and Molecular Physics and OpticsJetRISPhysical SciencesELEMENTSgas-jetddc:530Physics::Atomic PhysicsNuclear ExperimentLASER SPECTROSCOPYAtoms
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Liquid structure of a choline chloride-water natural deep eutectic solvent: A molecular dynamics characterization

2021

The liquid structure of a representative of the first water-in-salt (WiS) Natural Deep Eutectic Solvents (NADES), hereinafter indicated as aquoline, a mixture of choline chloride (ChCl) and water with molar ratio 1:3.33, is ex- plored at ambient conditions. Using Molecular Dynamics (MD) simulation tools, we extract structural informa- tion at atomistic level on the nature of inter-correlations between the different moieties. Despite being a very fluid liquid, with much lower viscosity than other common ChCl-based DES, aquoline turns out to be very struc- tured. Computed X-ray and neutron weighted scattering patterns (the latter also on selectively deuterated mix- tures) highlight the existe…

deep eutectic solvent02 engineering and technology010402 general chemistry01 natural sciencesChloridechemistry.chemical_compoundMolecular dynamicsPhase (matter)Materials ChemistrymedicineMoleculePhysical and Theoretical ChemistrySpectroscopyEutectic systemChemistryHydrogen bond021001 nanoscience & nanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and Opticsmolecular dynamicsPARTICLE MESH EWALDIONIC LIQUIDSNEUTRON-SCATTERINGMIXTURESNANOSTRUCTUREDENSITYACID0104 chemical sciencesElectronic Optical and Magnetic MaterialsDeep eutectic solventPhysical chemistry0210 nano-technologyliquid structuremedicine.drugCholine chloride
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