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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 3908-3918 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A molecular dynamics study has been made of the isomerization of CH3NC in a dense argon fluid. The model potential energy surface for CH3NC treats the CH3 group as a heavy atom, but otherwise gives a good representation of the remaining stationary points. Batches of (approximately-equal-to)150 trajectories were followed for the molecule, together with up to eight argon atoms contained in a soft-walled spherical vessel. The temperature of the system was defined in terms of mean kinetic energies, and the radius of the vessel was used to define the argon density. The total energy was chosen to give typical isomerization times of 10−11 s. First-order rate constants were determined for each batch of trajectories for solvent densities ranging from 9 to 80 mol dm−3. At low densities the rate constants increase linearly with inert gas density, but reach a plateau at between 35 and 70 mol dm−3. Such behavior is in agreement with Lindemann theory. The interpolated value of k∞ is 2.2×1011 s−1, which agrees well with an experimental value derived from an Arrhenius extrapolation to an effective temperature appropriate for the system. Above 70 mol dm−3 the calculated rate constants increase rapidly with pressure, and this is attributed to the effect a negative volume of activation has on the isomerization process.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7612-7620 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photofragment kinetic energy spectrum of Ar+3 has been recorded in a crossed-beam apparatus at 532 nm; the only photofragment product observed is Ar+. For the purposes of analysis, a spectrum for the photofragmentation of Ar+2 was recorded under similar experimental conditions. In each case, the ions were prepared by the electron impact ionization of a neutral argon cluster beam. The Ar+3 spectrum consists of two quite distinct features, a high-energy component which closely resembles the result observed for Ar+2, and a second, low-energy feature, which is peculiar to Ar+3 alone. The two high-energy wings appear to arise from a very rapid dissociation process where approximately 70% of the excess energy appears as Ar+ kinetic energy. A computer simulation of this region of the spectrum gives an anisotropy parameter, β, of 1.1±0.2. The low-energy, component to the spectrum arises from a two-step dissociation process, in which a weakly bound atom carries away a relatively large fraction of the available excess energy to leave a quasibound dimer ion. The energetics associated with this latter process can be accounted for using a partitioning scheme proposed by Baer et al. [J. Chem. Phys. 76, 5917 (1982)]. A computer simulation of the low-energy component gives β(approximately-equal-to)0.0. A detailed discussion of the results in terms of electronic structure, photofragmentation dynamics, and allowed electronic transitions, concludes that Ar+3 takes the form of a stable dimer ion and a weakly bound atom, and that it is most probably nonlinear.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 81 (1959), S. 5037-5043 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 2016-2022 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A hard shape potential has been used to interpret A+BC rotational inelastic cross sections as a function of collision energy. These hard shape surfaces have been shown to be close to the classical turning points of an appropriate soft potential, this providing a computationally simple route for deriving a soft potential. If the soft potential has exponential form then reducing the hard shape radii by an amount equal to the inverse of the exponent improves the results.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 88 (1984), S. 4887-4891 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 93 (1971), S. 7149-7152 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 21 (1988), S. 2291-2293 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Molecular microbiology 5 (1991), S. 0 
    ISSN: 1365-2958
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Medicine
    Notes: The oxidation of methane to methanol in methano-trophic bacteria is catalysed by the enzyme methane monooxygenase (MMO). This multicomponent enzyme catalyses a range of oxidations including that of aliphatic and aromatic compounds and therefore has potential for commercial exploitation. This study details the molecular characterization of the soluble MMO (sMMO) genes from the Type II methanotroph Methylosinus trichosporium OB3b. The structural genes encoding the α, β and γ subunits of sMMO protein A and the structural gene encoding component B have been isolated and sequenced. These genes have been expressed and their products identified using an in vitro system. A comparative analysis of sMMO predicted sequences of M. trichosporium OB3b and the taxonomically related M. capsulatus (Bath) is also presented.
    Type of Medium: Electronic Resource
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  • 9
    ISSN: 1365-2958
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Medicine
    Notes: The methanotrophic bacteria Methylococcus capsulatus (Bath) and Methylosinus trichosporium OB3b convert methane to methanol using the enzyme, methane monooxygenase (MMO). These bacteria are able to express two distinct MMOs: a cytoplasmic or soluble form (sMMO) and a membrane-bound or particulate form (pMMO). Differential expression of sMMO and pMMO is regulated by the amount of copper ions available to the cells; sMMO is expressed at low copper–biomass ratios, whereas pMMO is expressed at high copper–biomass ratios. In both methanotrophs, transcription of the sMMO gene cluster is negatively regulated by copper ions. Data suggest that transcription of the M. trichosporium OB3b sMMO gene cluster is directed from a σ54-like and a σ70-like promoter. The pMMO (pmo ) genes of M. capsulatus (Bath) are transcribed into a polycistronic mRNA of 3.3 kb. The synthesis of this mRNA was activated by copper ions. Activation of pmo transcription by copper ions was concomitant with repression of sMMO gene transcription in both methanotrophs. This suggests that a common regulatory pathway may be involved in the transcriptional switch between sMMO and pMMO gene expression.
    Type of Medium: Electronic Resource
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  • 10
    ISSN: 1365-2958
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Medicine
    Notes: The molecular regulation of methane oxidation in the first fully authenticated facultative methanotroph Methylocella silvestris BL2 was assessed during growth on methane and acetate. Problems of poor growth of Methylocella spp. in small-scale batch culture were overcome by growth in fermentor culture. The genes encoding soluble methane monooxygenase were cloned and sequenced, which revealed that the structural genes for soluble methane monooxygenase, mmoXYBZDC, were adjacent to two genes, mmoR and mmoG, encoding a σ54 transcriptional activator and a putative GroEL-like chaperone, located downstream (3′) of mmoC. Transcriptional analysis revealed that the genes were all cotranscribed from a σ54-dependent promoter located upstream (5′) of mmo X. The transcriptional start site was mapped. Transcriptional analysis of soluble methane monooxygenase genes and expression studies on fermentor grown cultures showed that acetate repressed transcription of sMMO in M. silvestris BL2. The possibility of the presence of a particulate, membrane-bound methane monooxygenase enzyme in M. silvestris BL2 and the copper-mediated regulation of soluble methane monooxygenase was investigated. Both were shown to be absent. A promoter probe vector was constructed and used to assay transcription of the promoter of the soluble methane monoxygenase genes of M. silvestris BL2 grown under various conditions and with different substrates. These data represent the first insights into the molecular physiology of a facultative methanotroph.
    Type of Medium: Electronic Resource
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