Search results for "Spectroscopy"

showing 10 items of 10293 documents

The synthesis of metallocene-labelled drugs for biological assays

1990

Several drugs (amphetamine, desipramine, nortriptyline, phenobarbital) have been labelled with metallocenic fragments in order to develop a new immunoassay method. The metallocenic fragments are cymantrenic or benchrotrenic derivatives: the linkage between the organic and organometallic moieties has been achieved by reactions between amino and acidic functional groups. All the products (metallohaptens), purified by different chromatography techniques, have been fully characterized by IR and 1H NMR spectroscopy and their mass spectra.

1h nmr spectroscopyChromatographymedicine.diagnostic_testChemistryGeneral ChemistryChemical synthesisInorganic Chemistrychemistry.chemical_compoundImmunoassay methodImmunoassaymedicineMass spectrumOrganic chemistryBioassayMetalloceneApplied Organometallic Chemistry
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N-(2,3,5,6-Tetrafluoropyridyl)sulfoximines: synthesis, X-ray crystallography, and halogen bonding

2020

In the presence of KOH, NH-sulfoximines react with pentafluoropyridine to give N-(tetrafluoropyridyl)sulfoximines (NTFP-sulfoximines) in moderate to excellent yields. Either a solution-based or a superior solvent-free mechanochemical protocol can be followed. X-Ray diffraction analyses of 26 products provided insight into the bond parameters and conformational rigidity of the molecular scaffold. In solid-state structures, sulfoximines with halo substituents on the S-bound arene are intermolecularly linked by C–X⋯OS (X = Cl, Br) halogen bonds. Hirshfeld surface analysis is used to assess the type of non-covalent contacts present in molecules. For mixtures of three different S-pyridyl-substit…

1h nmr spectroscopyHalogen bond010405 organic chemistryChemistryOrganic Chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesNitrogenOxygen0104 chemical sciencesCrystallographyHalogenX-ray crystallographyMoleculeOrganic Chemistry Frontiers
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Bis-macrocyclic Ligands with Two Ferrocenyl End Groups, and Their Tetranuclear Dicopper(I) Compounds

1999

A series of bismacrocyclic ligands with two ferrocenyl groups, exo/endo-1,1‘:1‘ ‘,1‘ ‘‘-[1,2,4,5-tetrakis(5-aza-2-thiahexa-5-enyl)benzene]bisferrocene (exo/endo-FeBeFe), 1,1‘:1‘ ‘,1‘ ‘‘-[1,2:1‘,2‘-tetrakis(5-aza-2-thiahexa-5-enyl)ethene]bisferrocene (1,2-FeEnFe), 1,1‘:1‘ ‘,1‘ ‘‘-[1,1‘:2,2‘-tetrakis(5-aza-2-thiahexa-5-enyl)ethene]bisferrocene (1,1-FeEnFe), 1,1‘:1‘ ‘,1‘ ‘‘-[tetrakis(5-aza-2-thiahexa-5-enyl)methane]bisferrocene (FeMeFe), and their dicopper(I) compounds have been synthesized and characterized (electrochemistry, IR, NMR and Mossbauer spectroscopy). The molecular structure of endo-FeBeFe has been determined by X-ray structure analysis and the copper(I)-induced discrimination of t…

1h nmr spectroscopyStructure analysisStereochemistryChemistrychemistry.chemical_elementElectrochemistryMedicinal chemistryCopperInorganic Chemistrychemistry.chemical_compoundMössbauer spectroscopyMoleculePhysical and Theoretical ChemistryBenzeneInorganic Chemistry
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First synthesis of single-“strapped cyclam-porphyrins”

1994

The first synthesis of strapped cyclam porphyrins is described ; these will be studied as dioxygen carriers as well as cytochrome C oxidase models. The original derivatives are characterized by mass spectrometry and 1H NMR spectroscopy. The cofacial conformation of the two different macrocycles is confirmed by 1H NMR data.

1h nmr spectroscopybiology010405 organic chemistryStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryMass spectrometry[ CHIM ] Chemical Sciences01 natural sciencesBiochemistry0104 chemical scienceschemistry.chemical_compoundchemistry[CHIM] Chemical SciencesDrug DiscoveryCyclamProton NMRbiology.proteinLactam[CHIM]Chemical SciencesCytochrome c oxidaseComputingMilieux_MISCELLANEOUSCyclophaneTetrahedron Letters
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Physico-chemical investigation of the state of cyanamide confined in AOT and lecithin reversed micelles

2004

Sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and lecithin reversed micelles containing cyanamide have been investigated by small-angle X-ray scattering, FT-IR, and 1H NMR spectroscopy at various cyanamide-to-surfactant molar ratio (X) and at fixed surfactant concentration (0.1 mol kg-1). Experimental data are consistent with a model of cyanamide molecules confined in reversed micelles, quite uniformly distributed among them and mainly located among surfactant headgroups. SAXS data analysis leads also to hypothesize a unidimensional growth of the reversed micelles with increasing the X value. Moreover, the cyanamide state and the cyanamide/cyanamide interactions in reversed micelles have bee…

1h nmr spectroscopyfood.ingredientSodiumASSEMBLIESchemistry.chemical_elementMicelleLecithinSurfaces Coatings and FilmsFT-IRchemistry.chemical_compoundfoodAEROSOL-OTchemistrySOLVATION DYNAMICSMICROEMULSIONSMaterials ChemistryNANOPARTICLESOrganic chemistryCyanamidePhysical and Theoretical ChemistryACETAMIDENuclear chemistrySettore CHIM/02 - Chimica Fisica
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Solvent dependence of the νs(OD) bandshape in 2,6-dichlorophenol

1994

Abstract The infrared bandshape of νs(OD) of 2,6-dichlorophenol is measured in a series of solvents of increasing polarity, and is quantitatively analysed. The bandshape is described in terms of band indices, moments, correlation functions and correlation times. A distinct solvent dependence of bandshape and relaxation parameters has been found. The changes of the νs(OD) bandshape with increasing solvent polarity are compared in detail with those obtained earlier for analogous solvents for νs(OH) of 2,6-dichlorophenol. The overall behaviour of the spectral and relaxation parameters is similar, but the changes are less distinct for the weaker OD ⋯ Cl bond.

26-DichlorophenolInfraredPolarity (physics)Organic ChemistryRelaxation (NMR)Analytical chemistryInfrared spectroscopyAnalytical ChemistryInorganic ChemistrySolventchemistry.chemical_compoundchemistrySolvent polarityOrganic chemistrySolvent effectsSpectroscopyJournal of Molecular Structure
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Synthesis, characterization, and cytotoxic activity of copper(II) and platinum(II) complexes of 2-benzoylpyrrole and X-ray structure of bis[2-benzoyl…

2004

Copper(II) and platinum(II) complexes of 2-benzoylpyrrole (2-BZPH) were synthesized and characterized with IR, 1 H and 1 3 C NMR spectroscopies and coordination geometry with ligands arranged in transoid fashion. The crystal structure of [Cu I I (2-BZP) 2 ] was determined by X-ray diffraction. Death of complex treated Jurkat cells was measured by flow cytometry. The bis-chelate complexes [Cu I I (2-BZP) 2 ] and [Pt I I (2-BZP) 2 ] adopt square-planar coordination geometry with ligands, arranged in transoid fashion. Concentrations of 1-10 μM Platinum(II) complexes reduced cell survival from 100% to 20%, in contrast to the copper(II) complex which caused no cell death at a concentration of 10…

2-BenzoylpyrroleCopper(II) and platinum(II) complexesCytotoxicityMagnetic Resonance SpectroscopySpectrophotometry InfraredCell SurvivalMolecular Conformationchemistry.chemical_elementAntineoplastic AgentsCrystal structureCrystallography X-RayLigandsBiochemistryJurkat cellsInorganic ChemistryJurkat CellsOrganometallic CompoundsHumansPyrrolesCytotoxicityCoordination geometryPlatinumFormazansCell DeathDose-Response Relationship DrugMolecular StructureX-rayHydrogen Bonding2-benzoylpyrrole; copper(ii) and platinum(ii) complexes; cytotoxicityCarbon-13 NMRFlow CytometryCopperCrystallographycopper(ii) and platinum(ii) complexeschemistryxray cristallogrphycytotoxicityIndicators and ReagentsPlatinumCopper2-benzoylpyrroleJournal of inorganic biochemistry
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Concept of Spectrobiopsy Facing Gliomas: Rational and Future Perspectives Related to Target Therapy

2020

Gliomas represent the most common primary intracranial tumors with an estimated incidence of 31% of all central nervous system neoplasms. Lesions originated from glial cells are extremely heterogeneous, ranging from low grade to high grade with different clinical and biological malignancy. Glioblastoma multiforme (GBM) is the most aggressive and frequent primary malignant tumor of the central nervous system in adults. Even though in the past decades considerable efforts have been made in the therapeutic management of this type of tumor,2 the prognosis after diagnosis of GBM remains extremely poor, reaching a median overall survival of 12–18 months. In 2016 the World Health Organization clas…

2-Hydroxyglutaratemedicine.diagnostic_testbusiness.industryGlioma Humans Isocitrate Dehydrogenase Magnetic Resonance Imaging Magnetic Resonance SpectroscopyMagnetic resonance imagingmedicine.diseaseNuclear magnetic resonanceIsocitrate dehydrogenaseNeuroimagingGliomamedicineSurgeryNeurology (clinical)Target therapybusiness
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Magnetic Resonance Spectrobiopsy for Prediction of Isocitrate Dehydrogenase Mutation in Glioma

2020

Despite the existence of multimodal therapy paradigm, high-grade gliomas (HGGs) remain devastating tumors associated with one of the worst prognoses. Glioblastoma (GBM) is the most frequent reported histologic type with a median survival, after surgery and combined treatment with chemotherapy and radiotherapy, ranging from 12 to 16 months. The poor prognosis is due to the lack of therapeutic efficacy of chemical agents and irradiation in hypoxic tumor areas. Experimental studies have investigated several molecules with the aim to counteract several downstream signaling important in tumor progression, unfortunately without conclusive results. Several studies have shown that the extent of res…

2-Hydroxyglutaratemedicine.diagnostic_testbusiness.industryGlioma Humans Isocitrate Dehydrogenase Magnetic Resonance SpectroscopyMagnetic resonance imagingNuclear magnetic resonance spectroscopymedicine.diseaseIsocitrate dehydrogenaseNuclear magnetic resonanceNeuroimagingGliomaMutation (genetic algorithm)MedicineSurgeryNeurology (clinical)businessWorld Neurosurgery
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Preparation and structural characterization of organotin(IV) complexes with ligands containing a hetero {N} atom and a hydroxy group or hydroxy and c…

2005

AbstractTwenty-two n-butyltin(IV) and t-butyltin(IV) complexes of ligands containing an –OH (–C@O) group or –OH and –COOHgroups and an aromatic {N} donor atom were prepared by metathetical reactions. On the basis of the FT-IR and Mo¨ssbauer spec-troscopic data, molecular structures were assigned to these compounds. The binding sites of the ligands were identified by means ofFT-IR spectroscopic measurements, and it was found that in most cases the organotin(IV) moiety reacts with the phenolic form ofthese ligands. In the complexes with –OH and –COOH functions, the –COOH group is coordinated to the organotin(IV) centres in amonodentate manner. The 119 Sn Mo¨ssbauer and the FT-IR studies suppor…

2-MERCAPTOPYRIDINEStereochemistryMossbauer spectroscopyMETAL COMPLEXESchemistry.chemical_elementorganotin(IV)3-HYDROXYPYRIDINEBiochemistryMedicinal chemistryInorganic Chemistry2-HYDROXYPYRIDINEGroup (periodic table)Mössbauer spectroscopyMaterials ChemistryMoietyCRYSTAL-STRUCTURERAMAN-SPECTRAPhysical and Theoretical ChemistryBinding siteFourier transform infrared spectroscopyChemistryOrganic ChemistryX-ray diffraction DICARBOXYLIC-ACIDSFT-IRMODELTrigonal bipyramidal molecular geometryTINSettore CHIM/03 - Chimica Generale E InorganicaX-ray crystallographyTinOrganotin(IV)FT-IRMössbauer spectroscopyX-ray diffractionJournal of Organometallic Chemistry
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