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  • thin films  (2)
  • CD3OH  (1)
  • CoMFA  (1)
  • 1995-1999  (4)
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Erscheinungszeitraum
  • 1995-1999  (4)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Journal of molecular modeling 3 (1997), S. 338-346 
    ISSN: 0948-5023
    Schlagwort(e): Keywords: Free-Wilson-analysis ; PLS ; genetic algorithm ; CoMFA ; piritrexim analogous
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Quantitative structure-activity relationships for piritrexim and analogues acting as inhibitors of tumour cell growth have been derived. First the Free-Wilson-method was used on a homologous training set of eight derivatives. The selection of variables important for the biological activity of the compounds was carried out with different multivariate methods as multiple linear regression, the partial least squares method und a genetic algorithm. The derivation of three-dimensional structure activity relationships started with a systematic conformational analysis of all compounds. For the conformations having minimal energy and being in agreement with the crystal structure of piritrexim charges were calculated with the AM1 hamiltonian. For the superimposition of the derivatives two methods were used: maximal similarity of the common substructure or of the molecular fields. A Comparative Molecular Field Analysis with steric and electrostastic fields identified regions important for the activity of the studied compounds independent of the chosen alignment and also correctly predicted the activity of two nonhomologous compounds.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 2
    Digitale Medien
    Digitale Medien
    Springer
    Journal of sol gel science and technology 8 (1997), S. 629-634 
    ISSN: 1573-4846
    Schlagwort(e): protein encapsulation ; absorption spectroscopy ; thin films ; cytochrome c
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract This paper considers the nature of the interactions between the sol-gel derived inorganic matrix and a specific biomolecule, cytochrome c. Optical absorption and impedance spectroscopies are used to characterize the influence of synthesis conditions on the protein's stability and conformation within the silica matrix. In some instances, encapsulation within the sol-gel matrix provides stabilization. For example, protein denaturation is reversible and aggregation is prevented. Moreover, the drying process does not negatively affect the protein; it is possible to regenerate the aged gel state by rehydration. The flexibility of the sol-gel process enables high quality cytochrome c-doped SiO2 thin films to be prepared. These films possess the characteristic reactivity and chemical function of cytochrome c in solution.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 3
    Digitale Medien
    Digitale Medien
    Springer
    Journal of sol gel science and technology 8 (1997), S. 629-634 
    ISSN: 1573-4846
    Schlagwort(e): protein encapsulation ; absorption spectroscopy ; thin films ; cytochrome c
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract This paper considers the nature of the interactions between the sol-gel derived inorganic matrix and a specific biomolecule, cytochrome c. Optical absorption and impedance spectroscopies are used to characterize the influence of synthesis conditions on the protein’s stability and conformation within the silica matrix. In some instances, encapsulation within the sol-gel matrix provides stabilization. For example, protein denaturation is reversible and aggregation is prevented. Moreover, the drying process does not negatively affect the protein; it is possible to regenerate the aged gel state by rehydration. The flexibility of the sol-gel process enables high quality cytochrome c-doped SiO2 thin films to be prepared. These films possess the characteristic reactivity and chemical function of cytochrome c in solution.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 4
    Digitale Medien
    Digitale Medien
    Springer
    International journal of infrared and millimeter waves 19 (1998), S. 1627-1631 
    ISSN: 1572-9559
    Schlagwort(e): Far-Infrared ; Methanol ; CD3OH ; Optically-Pumped Laser ; Laser
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract Fourteen new optically pumped far-infrared (FIR) laser lines in the range 46.8 μm to 172.6 μm were discovered in optically pumped CD3OH. The pump sources include both the CO2 laser and the N2O laser. Two theoretically predicted laser lines were observed in this study.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
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