Search results for "CLEAVAGE"

showing 10 items of 281 documents

A Density Functional Study of Open-Shell Cyclopentadienyl−Molybdenum(II) Complexes. A Comparison of Stabilizing Factors: Spin-Pairing, Mo−X π Bonding…

2000

International audience; The dissociation of PH3 from the 18-electron system CpMoX(PH3)3 to afford the corresponding 16-electron CpMoX(PH3)2 fragment has been investigated theoretically by density functional theory for X = H, CH3, F, Cl, Br, I, OH, and PH2. The product is found to prefer a triplet spin state for all X ligands except PH2, the singlet−triplet gap varying between 1.7 kcal/mol for OH to 8.7 kcal/mol for F. The Mo−PH3 bond dissociation energy to the 16-electron ground state varies dramatically across the series, from 4.5 kcal/mol for OH to 23.5 kcal/mol for H, and correlates with experimental observations on trisubstituted phosphine derivatives. Geometry-optimized spin doublet Cp…

Steric effects010405 organic chemistrychemistry.chemical_element010402 general chemistryLigands01 natural sciencesQuantum mechanicsDissociation (chemistry)Bond cleavageStabilization0104 chemical sciencesInorganic ChemistryCrystallographychemistryCyclopentadienyl complexMathematical methodsComputational chemistryMolybdenumPairingDensity functional theory[CHIM.COOR]Chemical Sciences/Coordination chemistryPhysical and Theoretical ChemistryOpen shellBond cleavage
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Stereocontrolled synthesis of five diastereomers of trimethyl 3-aminocyclopentane-1,2,4-tricarboxylates

2013

Abstract The sterically controlled oxidative cleavage of N - protected di exo - and di endo -substituted norbornene β-amino acids/esters resulted in four trimethyl 3-aminocyclopentane-1,2,4-carboxylate diastereomers. The sodium methoxide mediated isomerization of the four diastereomers in all cases yielded the thermodynamically most stable all- trans stereoisomer as a single product.

Steric effectsSingle productStereochemistryOrganic ChemistryDiastereomerBiochemistrySodium methoxidechemistry.chemical_compoundchemistryDrug DiscoveryOxidative cleavageta116IsomerizationNorborneneTetrahedron Letters
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Benzyl ions from 1,1-(2,2′-dimethoxyphenyl)-substituted 2-methylpropanes under electron ionization

2006

The electron ionization (EI)-induced fragmentations of a series of 1,1-(2,2'-dimethoxyphenyl)-substituted 2-methylpropanes (1-20) in both 70 eV and mass-analyzed ion kinetic energy (MIKE) spectra have been investigated. The EI-MS spectra of these compounds are characterized by the presence of abundant benzyl ions. These ions result from competitive hydrogen migration from the 2- and 2'-methoxy groups on the carbenium center of the diphenylmethyl cations formed by benzylic cleavage of the molecular ions. The relative abundances of the benzyl ions arising from such competitive processes are discussed and rationalized. The steric effect of the 3- or 3'-substituents is the main discriminating f…

Steric effectsSpectrometry Mass Electrospray IonizationHydrogenStereochemistrychemistry.chemical_elementKinetic energyMedicinal chemistrySpectral lineAnalytical ChemistryIonPropaneBenzyl CompoundsSpectroscopyElectron ionizationCARBON DOUBLE REARRANGEMENTMASS-SPECTRAHydrocarbons HalogenatedOrganic ChemistryCleavage (crystal)HYDROGEN-CARBONDIMETHOXY AROMATIC-COMPOUNDSSPECTROMETRYchemistryALKYLBENZENESSUBSTITUTED DIPHENYLMETHYL CATIONSHydrogenRapid Communications in Mass Spectrometry
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Polymetamorphism and ductile deformation of staurolite-cordierite schist of the Bossost Dome: indication for Variscan extension in the Axial Zone of …

2003

The Bossòst dome is an E–W-trending elongated structural and metamorphic dome developed in Cambro-Ordovician metasedimentary rocks in the Variscan Axial Zone of the central Pyrenees. A steep fault separates a northern half-dome, cored by massif granite, from an E–W-trending doubly plunging antiform with granitic sills and dykes in the core to the south. The main foliation is a flat-lying S1/2 schistosity that grades into a steeper-dipping slaty cleavage at the dome margins. Three major deformational and two metamorphic phases can be differentiated. S1/2 schistosity is an axial planar cleavage to W-vergent recumbent folding that probably occurred in mid-Westphalian time. Peak regional metamo…

Strain partitioningCrenulationvisual_artMetamorphic rockStaurolitevisual_art.visual_art_mediumSchistGeochemistryMetamorphismCleavage (geology)GeologyShear zoneGeology
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Ultrasound assisted reductive cleavage of eudesmane and guaiane γ-enonelactones. Synthesis of 1α,7α,10αH-guaian-4,11-dien-3-one and hydrocolorenone f…

2001

Abstract Ultrasound enhances the rate of reductive cleavage of the C6–oxygen bond of sesquiterpene enonelactones. trans-Eudesmanolides 1c–1g, cis-eudesmanolides 2a–2c, and trans-guaianolides 4a–4d react with Zn in acetic acid–H2O under sonochemical conditions to afford the corresponding sesquiterpene acids 3a–3g and 5a–5d, respectively in good yields. Starting from 5d two natural guaianes 1α,7α,10αH-guaian-4,11-dien-3-one (6) and hydrocolorenone (7) have been prepared in good yields through a straightforward sequence.

Terpenechemistry.chemical_compoundchemistryReductive cleavageOrganic ChemistryDrug DiscoveryUltrasound assistedSesquiterpeneBiochemistryMedicinal chemistrySantoninSonochemistryTetrahedron
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ChemInform Abstract: Ultrasound-Assisted Reductive Cleavage of Eudesmane and Guaiane γ-Enonelactones. Synthesis of 1α,7α,10αH-Guaian-4,11-dien-3-one …

2010

Abstract Ultrasound enhances the rate of reductive cleavage of the C6–oxygen bond of sesquiterpene enonelactones. trans-Eudesmanolides 1c–1g, cis-eudesmanolides 2a–2c, and trans-guaianolides 4a–4d react with Zn in acetic acid–H2O under sonochemical conditions to afford the corresponding sesquiterpene acids 3a–3g and 5a–5d, respectively in good yields. Starting from 5d two natural guaianes 1α,7α,10αH-guaian-4,11-dien-3-one (6) and hydrocolorenone (7) have been prepared in good yields through a straightforward sequence.

Terpenechemistry.chemical_compoundchemistryStereochemistryReductive cleavageGeneral MedicineUltrasound assistedSesquiterpeneSantoninChemInform
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ChemInform Abstract: Ultrasound-Assisted Reductive Cleavage of Sesquiterpene γ- Enonelactones.

2010

Abstract Ultrasound enhances the rate of reductive cleavage of the C 6 -oxygen bond of several cis - and trans - sesquiterpene γ-enonelactones. Interestingly ultrasound overrides the stereoelectronic requirements for the reductive cleavage of the most usually occurring sesquiterpene trans -lactones.

Terpenechemistry.chemical_compoundchemistryStereochemistryReductive cleavagechemistry.chemical_elementGeneral MedicineSesquiterpeneUltrasound assistedOxygenChemInform
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DFT study on the cycloreversion of thietane radical cations.

2011

The molecular mechanism of the cycloreversion (CR) of thietane radical cations has been analyzed in detail at the UB3LYP/6-31G* level of theory. Results have shown that the process takes place via a stepwise mechanism leading to alkenes and thiobenzophenone; alternatively, formal [4 + 2] cycloadducts are obtained. Thus, the CR of radical cations 1a, b(center dot+) is initiated by C2-C3 bond breaking, giving common intermediates INa,b. At this stage, two reaction pathways are feasible involving ion molecule complexes IMCa,b (i) or radical cations 4a,b(center dot+) (ii). Calculations support that 1a(center dot+) follows reaction pathway (leading to the formal [4 + 2] cycloadducts 5a). By cont…

ThietaneSTEADY-STATEFree RadicalsStereoisomerismOXETANEOxetanePhotochemistryPolarizable continuum modelPHOTOINDUCED-ELECTRON-TRANSFERPhotoinduced electron transferchemistry.chemical_compoundQUIMICA ORGANICACICLOREVESIONCationsMolecule(THIA)PYRYLIUM SALTSSulfhydryl CompoundsPhysical and Theoretical ChemistryDNA PHOTOLYASEDFT CALCULATIONREPAIRMolecular StructureTHIETANECLEAVAGEOtras Ciencias QuímicasCiencias QuímicasStereoisomerismRADICAL CATIONchemistryRadical ionEXCITED-STATESPOLARIZABLE CONTINUUM MODELCyclizationDENSITYQuantum TheoryThiobenzophenoneCIENCIAS NATURALES Y EXACTASThe journal of physical chemistry. A
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Unique copper ion catalyzed hydrolytic cleavage of C–N(2) bond of thiosemicarbazide

2006

Abstract For the first time, stable but coordinatively unsaturated Cu(II) complexes [Cu(2,2′-bpy)X2] · xH2O (X = ClO4, NO3, CH3COO and 2,2′-bpy = 2,2′-bipyridyl) have been found to promote the hydrolysis of C–N(2) bond of thiosemicarbazide (tsc) at 25 °C and at neutral pH yielding monomeric [Cu(2,2′-bpy)(NCS)2]. Direct reaction between [Cu(2,2′-bpy)2]Cl2 · 6H2O, KSCN and CuCl2 results in polymeric [Cu(2,2′-bpy)(NCS)2]n [1] [Inorg. Chim. Acta. 286 (1999) 108]. Similarly tsc is cleaved by Cu(I) complex [Cu(ϕ3P)2(CH3CN)2]ClO4 [ϕ3P = triphenylphosphine] which itself is converted into dimeric [Cu(ϕ3P)2(NCS)]2.

ThiocyanateStereochemistrychemistry.chemical_elementCleavage (embryo)CopperMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundHydrolysisMonomerchemistryMaterials ChemistryPhysical and Theoretical ChemistryNeutral phTriphenylphosphinePolyhedron
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Constitutive hsp70 is essential to mitosis during early cleavage of Paracentrotus lividus embryos: The blockage of constitutive hsp70 impairs mitosis

1999

Localization of constitutive hsp70 in eggs and early embryos of sea urchin Paracentrotus lividus is shown by means of in situ immunostaining. An accumulation of this protein is shown in the mitotic structures (asters, spindles and centrosomes). Microinjection of anti-hsp70 antibodies into eggs causes impairment of formation of mitotic structures and of cell division. This impairment goes from a complete mitotic block, to irregular mitotic apparatus formation with irregular cleavage, depending upon the antibody concentration. The localization of hsp70 after antibody microinjection is also described. Blockage of mitotic apparatus formation by nocodazole also blocks the concentration of hsp70 …

Time FactorsGrowth InhibitorMicroinjectionsCell divisionTime FactorSea UrchinCleavage Stage OvumBiophysicsMitosisCleavage (embryo)BiochemistryParacentrotus lividuschemistry.chemical_compoundbiology.animalAnimalsHSP70 Heat-Shock ProteinsSea urchin embryoMitosisMicroinjectionSea urchinMolecular BiologyConstitutive hsp70HSP70 Heat-Shock ProteinbiologyDose-Response Relationship DrugAnimalNocodazoleCell Biologybiology.organism_classificationMitosiGrowth InhibitorsMicroinjectionCell biologyNocodazolechemistryBiophysicCentrosomeSea UrchinsFertilizationembryonic structures
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