Structure Determination of Auxin Phytohormones.

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Auxin plant hormones govern many biological processes in higher plants such as cell divisions and enlargement, developmental differentiation, and the syntheses of specific proteins. Among this class of plant hormones we are specifically interested in compounds, the parent compound of which is 3-indole acetic acid (IAA). IAA and some of its halogenated derivatives are naturally occuring auxins. In addition a large number of synthetic IAA conjugates and derivatives of different degrees of activity have been tested experimentally on various plant cultures.

In an effort to correlate biological activity with structure data, we have performed quantum chemical ab initio calculations of IAA and several derivatives. Selected results are presented on the following pages, each of which is devoted to one or several compounds. In all cases the COOH-group is held in the energetically favourable cis-orientation. Thus the potential energy surfaces are functions of only two torsion angles: T1 (C2-C3-C-C) and T2 (C3-C-C=O).

The bottom of each page provides a navigation tool that allows forward and backward browsing and, in the center entry, offers an interface to the literature data base of the Institute of Physical and Theoretical Chemistry. Activation of this interface will produce an up-to-date list of publications and theses that relate to the specific compounds. The bottom entry of this navigation tool provides a link to the homepage of the Quantum Chemistry Group, that may be used as an emergency exit from this tour.

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IAA.
 
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