Showing 1-30 of 30 results for "480983"
Meiyan Wang et al.
Journal of computational chemistry, 32(6), 1170-1177 (2011-03-10)
The reaction mechanism of Pd(0)-catalyzed methylacetylene bisselenation reaction is investigated by using the density functional method. The overall reaction mechanism involves the oxidative addition, insertion, and reductive elimination steps. The regioselectivity has been investigated for the methylacetylene insertion into Pd-Se...
Masumi Asakura et al.
Mutation research, 652(2), 122-130 (2008-03-18)
A gas exposure system using rotating vessels was improved for exposure of cultured mammalian cells to gaseous compounds in the chromosomal aberration assay. This system was composed of 12 square culture vessels, a device for preparation of air containing test...
Kirill A Chernyshev et al.
Magnetic resonance in chemistry : MRC, 45(8), 661-666 (2007-06-15)
Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The title compounds were shown to...
Fabien Goulay et al.
Physical chemistry chemical physics : PCCP, 9(31), 4291-4300 (2007-08-10)
The reactions of the ethynyl radical (C(2)H) with propyne and allene are studied at room temperature using an apparatus that combines the tunability of the vacuum ultraviolet radiation of the Advanced Light Source at Lawrence Berkeley National Laboratory with time-resolved...
Yongping Zhang et al.
Langmuir : the ACS journal of surfaces and colloids, 29(6), 1868-1874 (2013-01-19)
To achieve silicon functionalization for the development of hybrid devices, multifunctional molecules may be employed to attach to the silicon surfaces. It is important to get a fundamental understanding about the molecule/silicon interface chemistry and the binding configuration. The surface...
Changkun Li et al.
The Journal of organic chemistry, 72(19), 7431-7434 (2007-08-25)
The BF3.OEt2-catalyzed Friedel-Crafts propargylation of aromatic compounds with O-propargyl trichloroacetimidates is highly efficient and affords 1,3-diarylpropyne derivatives in good yields.
Michael J Ardolino et al.
Journal of the American Chemical Society, 134(21), 8770-8773 (2012-05-19)
The palladium-catalyzed cross-coupling of chiral propargyl acetates and allyl boronates delivers chiral 1,5-enynes with excellent levels of chirality transfer and can be applied across a broad range of substrates.
S Tajammul Hussain et al.
Environmental technology, 30(6), 543-559 (2009-07-17)
A supported catalyst and a catalytic process have been developed for the conversion of carbgas (CO2 + (100 ppm) H2O + 1% H2) as a renewable source of energy and as a measure for the control of carbon dioxide --...
Reaction of phenyl radicals with propyne
Vereecken L, et al.
Journal of the American Chemical Society, 124(11), 2781-2789 (2002)
Isomer-specific combustion chemistry in allene and propyne flames
Hansen N, et al.
Combustion and Flame, 156(11), 2153-2164 (2009)
Anne E Taylor et al.
Applied microbiology and biotechnology, 102(4), 1859-1867 (2018-01-04)
Ethene (ETH)-grown inocula of Nocardioides JS614 grow on vinyl chloride (VC), vinyl fluoride (VF), or vinyl bromide (VB) as the sole carbon and energy source, with faster growth rates and higher cell yields on VC and VF than on VB....
Nicolas Daugey et al.
Physical chemistry chemical physics : PCCP, 7(15), 2921-2927 (2005-09-29)
The temperature dependences of the methylidyne radical reactions with methane, allene, methylacetylene and propene were studied. This work was carried out in a supersonic flow reactor coupled with pulsed laser photolysis (PLP) and laser-induced fluorescence (LIF) techniques. Three Laval nozzles...
Erin M MacKenzie et al.
Bioorganic & medicinal chemistry, 16(17), 8254-8263 (2008-08-12)
A group of beta-phenylethylidenehydrazines possessing a variety of substituents (Me, OMe, Cl, F, and CF(3)) at the ortho-, meta-, or para-positions of the phenyl ring, in conjunction with either a N-bis-(2-propynyl) or a N-mono-(2-propynyl) moiety, were synthesized and compared to...
Tomoya Okino et al.
Physical chemistry chemical physics : PCCP, 14(12), 4230-4235 (2012-02-18)
Two-body decomposition processes of methylacetylene (CH(3)CCH) and its isotopomer methyl-d(3)-acetylene (CD(3)CCH) in intense laser fields (790 nm, 40 fs, 5.0 × 10(13) W cm(-2)) are investigated by the coincidence momentum imaging (CMI). In methyl-d(3)-acetylene, a total of six decomposition pathways...
Ying Guo et al.
Physical chemistry chemical physics : PCCP, 9(16), 1972-1979 (2007-04-14)
Crossed molecular beams experiments have been utilized to investigate the reaction dynamics between two closed shell species, i.e. the reactions of tricarbon molecules, C(3)(X(1)Sigma(g)(+)), with allene (H(2)CCCH(2); X(1)A(1)), and with methylacetylene (CH(3)CCH; X(1)A(1)). Our investigations indicated that both these reactions...
Dorian S N Parker et al.
Chemistry, an Asian journal, 6(11), 3035-3047 (2011-10-01)
Polycyclic aromatic hydrocarbons (PAHs) are regarded as key intermediates in the molecular growth process that forms soot from incomplete fossil fuel combustion. Although heavily researched, the reaction mechanisms for PAH formation have only been investigated through bulk experiments; therefore, current...
Lourdes Gracia et al.
The journal of physical chemistry. A, 112(8), 1808-1816 (2008-02-07)
Possible molecular mechanisms of the gas-phase ion/molecule reaction of VO2+ in its lowest singlet and triplet states (1A1/3A' ') with propyne have been investigated theoretically by density functional theory (DFT) methods. The geometries, energetic values, and bonding features of all...
Lili Zhang et al.
Journal of molecular modeling, 17(12), 3173-3181 (2011-03-03)
A detailed doublet potential energy surface for the reaction of CH with CH(3)CCH is investigated at the B3LYP/6-311G(d,p) and G3B3 (single-point) levels. Various possible reaction pathways are probed. It is shown that the reaction is initiated by the addition of...
Alessandra M Tavares et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 64(2), 412-417 (2005-12-07)
The present manuscript reports a systematic investigation of the basis set dependence of some properties of hydrogen-bonded (pi type) complexes formed by propyne and a HX molecule, where X=F, Cl and CN. The calculations have been performed at Hartree-Fock, MP2...
P N Praveen Rao et al.
Journal of medicinal chemistry, 49(5), 1668-1683 (2006-03-03)
A group of 1,3-diarylprop-2-yn-1-ones (13, 17, 23, 26 and 27) possessing a C-3 p-SO2Me COX-2 pharmacophore were designed, synthesized and evaluated as potential dual inhibitors of cyclooxygenase-1/2 (COX-1/2) and 5/15-lipoxygenases (5/15-LOX) that exhibit vivo antiinflammatory and analgesic activities. Among this...
Elementary reactions of boron atoms with hydrocarbons-toward the formation of organo-boron compounds.
Nadia Balucani et al.
Chemical reviews, 110(9), 5107-5127 (2010-06-03)
Chao Wang et al.
Organic letters, 11(18), 4092-4095 (2009-08-22)
Contrary to all previous reports, bromoboration of propyne with BBr(3) proceeds in >or=98% syn-selectivity to produce (Z)-2-bromo-1-propenyldibromoborane (1). Although 1 is readily prone to stereoisomerization, it can be converted to the pinacolboronate (2) of >or=98% isomeric purity by treatment with...
Propyne hydrogenation over alumina-supported palladium and platinum catalysts
Kennedy DR, et al.
Applied Catalysis A: General, 259(1), 109-120 (2004)
In situ generation of 1-propyne: A useful introduction of 1-propyne on unsaturated halogenated compounds through the Sonogashira reaction
Abraham E and Suffert J
Synlett, 2002(02), 0328-0330 (2002)
James Booth et al.
Biochemistry, 44(12), 4710-4719 (2005-03-23)
DNA duplexes are stabilized by aminopropynyl modification of pyrimidines at the 5 position. A combination of thermodynamic analyses as a function of ionic strength, NMR, and molecular modeling has been applied to determine the origin of the stabilization. UV melting...
Bruce H Lipshutz et al.
Organic letters, 7(19), 4095-4097 (2005-09-09)
[reaction: see text] A new route to the key coupling partner, chloromethylated CoQ0 (1), allows for direct formation of CoQ10 (3) via nickel-catalyzed cross-coupling with the side chain in the form of an in situ-derived vinyl alane (2).
Dorit Moradov et al.
The Journal of organic chemistry, 74(3), 1029-1033 (2008-12-26)
Cyclisation of diethyl 3-allyloxy-1-propynylphosphonates with Mo(CO)(6) under PK conditions to give 3-substituted-5-oxo-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-4-ylphosphonate, 2a-h, in 45-88% isolated yields was done. The R groups are always syn with H(b) (where applicable). The stereochemistry was determined via both NMR and crystal X-ray analysis.
Fangtong Zhang et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 9(1), 95-105 (2007-12-22)
The reactions of ground-state boron atoms, B((2)P(j)), with methylacetylene, CH3CCH(X(1)A(1)), and its [D3]-substituted isotopomer, CD3CCH(X(1)A(1)), are studied under single collision conditions using the crossed molecular beam technique at collision energies of 21.6 and 21.9 kJ mol(-1), respectively. Utilizing the CD3CCH...
P N Praveen Rao et al.
Bioorganic & medicinal chemistry letters, 15(21), 4842-4845 (2005-09-07)
A new class of 1,3-diphenylprop-2-yn-1-ones possessing a p-MeSO2 COX-2 phamacophore on the C-3 phenyl ring was designed for evaluation as dual inhibitors of cyclooxygenase (COX) and lipoxygenase (LOX). Among the group of compounds evaluated, 1-(4-fluorophenyl)-3-(4-methanesulfonylphenyl)prop-2-yn-1-one (11j) exhibited excellent COX-2 inhibitory...
Hervé Leclerc et al.
Physical chemistry chemical physics : PCCP, 13(24), 11748-11756 (2011-05-21)
The present study illustrates the importance of the oxidation state of iron within the mesoporous iron trimesate [{Fe(3)O(H(2)O)(2)F(0.81)(OH)(0.19)}{C(6)H(3)(CO(2))(3)}(2)] denoted MIL-100(Fe) (MIL= Material from Institut Lavoisier) during adsorption of molecules that can interact with the accessible metal sites through π-back donation....

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