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  • 1
    Publication Date: 1994-01-01
    Print ISSN: 0006-3134
    Electronic ISSN: 1573-8264
    Topics: Biology
    Published by Springer
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 3643-3657 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new approach to carry out molecular dynamics simulations of chemical reactions in solution using combined density functional theory/molecular mechanics potentials is presented. We focus our attention on the analysis of reactive trajectories, dynamic solvent effects and transmission coefficient rather than on the evaluation of free energy which is another important topic that will be examined elsewhere. In a previous paper we have described the generalities of this hybrid molecular dynamics method and it has been employed to investigate low energy barrier proton transfer process in water. The study of processes with activation energies larger than a few kT requires the use of specific techniques adapted to "rare events" simulations. We describe here a method that consists in the simulation of short trajectories starting from an equilibrated transition state in solution, the structure of which has been approximately established. This calculation is particularly efficient when carried out with parallel computers since the study of a reactive process is decomposed in a set of short time trajectories that are completely independent. The procedure is close to that used by other authors in the context of classical molecular dynamics but present the advantage of describing the chemical system with rigorous quantum mechanical calculations. It is illustrated through the study of the first reaction step in electrophilic bromination of ethylene in water. This elementary process is representative of many charge separation reactions for which static and dynamic solvent effects play a fundamental role. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 56 (1985), S. 2319-2322 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: Ionic thermometers have been tested in a nuclear reactor with attention to the steepness of the ionic conductivity jump and the influence of a glass container on the accuracy of the temperature measurements. It was found that, at the neutron fluxes up to 1.5×1018 m−2 s−1 (thermal) and 3×1018 m−2 s−1 (fast) in a light water reactor, the change of conductivity jump slope is negligible or nil for an ionic thermometer filled by HgI2, i.e., at 256.0±0.2 °C. The need to use boron-free glass was confirmed. The impact on the accuracy of the temperature point indication in a nuclear reactor core is discussed, as well as obvious inertness of the melting process mechanism to the intense irradiation field.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Phytochemistry 37 (1994), S. 1059-1062 
    ISSN: 0031-9422
    Keywords: N^6 (o-hydroxybenzylamino-9-O-β-d-glucopyranosylpurine ; Populus x canadensis Moench cv Robusta ; Salicaceae ; aromatic cytokinin ; ortho-topolin-9-glucoside. ; poplar
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Biologia plantarum 41 (1998), S. 356-356 
    ISSN: 1573-8264
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Atomic energy 49 (1980), S. 824-828 
    ISSN: 1573-8205
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Journal of plant growth regulation 15 (1996), S. 179-188 
    ISSN: 1435-8107
    Keywords: N 6-Benzyladenosine ; Cytokinins ; Enzyme immunoassay ; N 6-(meta-Hydroxybenzyl) adenosine ; Populus × Robusta leaves ; Solanum shoots (transformed and normal plants)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Enzyme-linked immunosorbent assays (ELISAs) were developed for determination of N 6-benzyladenosine, N 6-(meta-hydroxybenzyl)adenosine, and structurally related cytokinins. The use of the ELISAs allowed detection over the range of 0.05–70 pmol for N 6-benzyladenine and 0.01–20 pmol for the N 6-(meta-hydroxybenzyl)adenine cytokinins. Polyclonal antibodies used in the assays were specific for N 6-benzyladenine and N 6-(meta-hydroxybenzyl)adenine and their corresponding N 9-substituted derivatives. By the use of internal standardization, dilution assays, authentic [2-3H]cytokinin recovery markers, and immunohistograms, the ELISAs have been shown to be applicable for the estimation of N 6-benzyladenine and N 6-(meta-hydroxybenzyl)adenine-type cytokinins in plant tissues. For the analysis of cytokinins in the tissues of young poplar leaves and Solarium teratoma shoot culture, the extracts were fractionated by high performance liquid chromatography (HPLC) and the fractions analyzed by ELISAs. Immunohistogram ELISA analysis of fractions from different HPLC systems indicated major peaks of immunoreactivity co-chromatographing with the labeled and unlabeled standards of N 6-benzyladenine, N 6-meta-hydroxybenzyl)adenine, and their N 9-glycosides in these tissues.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Journal of plant growth regulation 15 (1996), S. 39-49 
    ISSN: 1435-8107
    Keywords: Oil palm ; Cytokinin ; Topolin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The natural occurrence of 6-benzylaminopurine, 6-(2-hydroxybenzylamino)purine (ortho-topolin), 6-(3-hydroxybenzylamino)purine (meta-topolin), their ribosides and 9-glucosides is reported using specific antibodies to these groups of compounds in high performance liquid chromatography/enzyme-linked immunosorbent assay (HPLC/ELISA). Compounds were identified by their retention times and differential cross-reactivities with six antisera in analyses carried out in two laboratories using different HPLC gradient systems. Identities were confirmed by immunoaffinity purification followed by HPLC with on-line UV spectrum analysis. Further confirmation of the occurrence of ortho-topolin riboside and isopentenyladenine-9-glucoside was obtained from gas chromatography-mass spectrometry analysis of permethylated HPLC fractions of an extract of oil palm tissues. The aromatic cytokinins, and in particular, ortho-topolin riboside, were found in a variety of oil palm tissues at concentrations exceeding those of the isoprenoid cytokinins, zeatin, isopentenyladenine, dihydrozeatin, and their ribosides. The 9-glucosides of isopentenyladenine and zeatin were more abundant than those of the aromatic types. The cross-reactivity of benzyladenine compounds with antibodies to isopentenyladosine is discussed in relation to the interpretation of ELISA data.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 45 (1995), S. 793-798 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A generalized Gibbs-ensemble methodology with a fluctuating particle is used to determine the coexistence vapor-liquid densities for a square-well fluid. It is shown that the presence of the fluctuating particle in sub-states of the Markov chain of states supresses considerably density fluctuations which makes it possible to carry out simulations efficiently even for temperatures very close to the critical temperature.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Czechoslovak journal of physics 37 (1987), S. 1261-1276 
    ISSN: 1572-9486
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract To study the effect of the shape of molecules on properties of polar fluids, the second pressure virial coefficient,B(T), of quadrupolar hard homonuclear dumbells is investigated both numerically and analytically. Convergence of the expansion ofB(T) about the hard dumbell reference is examined and a simple approximate analytic formula is derived which provides a good estimate ofB(T) for temperatures higher than the Boyle temperature,T B. BelowT B the examined expansion methods break down. Independently of the calculations ofB(T), an approximate analytic expression of the average Boltzmann factor of the model considered has been also derived.
    Type of Medium: Electronic Resource
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