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Konformationsanalyse von Gallenfarbstoffen mit Hilfe von Kraftfeldrechnungen

Conformational analysis of bile pigments using force field calculations

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Abstract

A force field constructed for bile pigments and parametrized on partial structures of bile pigments was used to calculate the minimum energy geometries of diastereomeric bilatrienes-abc. In addition the relative energies of these isomers were deduced and the energies of interconversion between the mirror images of the more or less helical (Z,Z,Z)-syn, syn, syn-form were calculated for various paths.

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Literatur

  1. 1

    Übersicht;S. R. Niketić undK. Rasmussen, The Consistent Force Field. Berlin-Heidelberg-New York: Springer. 1977.

  2. 2

    R. C. Bingham, M. J. S. Dewar undD. L. Lo, J. Amer. Chem. Soc.97, 1285 (1975).

  3. 3

    H. Falk, K. Grubmayr, G. Höllbacher, O. Hofer, A. Leodolter, F. Neufingerl undJ. M. Ribó, Mh. Chem.108, 1113 (1977);H. Falk, S. Gergely, K. Grubmayr undO. Hofer, Z. Naturf.32 b, 299 (1977);H. Falk undK. Grubmayr, Mh. Chem.108, 625 (1977);H. Falk, O. Hofer undA. Leodolter, Mh. Chem.107, 907 (1976);H. Falk, K. Grubmayr, O. Hofer, F. Neufingerl undJ. M. Ribó, Mh. Chem.107, 831 (1976);H. Falk undJ. M. Ribó, Mh. Chem.107, 307 (1976);H. Falk, K. Grubmayr, O. Hofer undF. Neufingerl, Mh. Chem.106, 991 (1975);H. Falk undO. Hofer, Mh. Chem.105, 995 (1974).

  4. 4

    H. Falk, K. Grubmayr undK. Thirring, Z. Naturf.33 b, 424 (1978).

  5. 5

    H. Falk, K. Grubmayr, E. Haslinger, T. Schlederer undK. Thirring, Mh. Chem.109, 1451 (1978).

  6. 6

    H. Falk undK. Grubmayr, Mh. Chem., im Druck.

  7. 7

    H. Falk undK. Thirring, Z. Naturf., im Druck.

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Falk, H., Höllbacher, G. & Hofer, O. Konformationsanalyse von Gallenfarbstoffen mit Hilfe von Kraftfeldrechnungen. Monatshefte für Chemie 110, 1025–1027 (1979). https://doi.org/10.1007/BF00906698

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Keywords

  • Bile pigments
  • Conformational analysis
  • Force field calculations