TY - JOUR A1 - Heydenreich, Matthias A1 - Wolf, G. A1 - Woller, Jochen A1 - Kleinpeter, Erich T1 - Restricted rotation of the amino group and ring inversion in highly substituted anilines. A dynamic NMR and computational study N2 - The reaction of cyclic ylidene malononitriles with acetylene (di)carboxylic acid esters led to the production of nine bicyclic systems incorporating highly substituted (5/6) anilines. The free energy of activation (DeltaG(#)) for the restricted rotation about the aniline-NH2 bond was experimentally measured in each case and a correlation was evident between the increase in steric strain in the ground state, the electron withdrawing capabilities of the ring substituents, and a reduction in the rotational barrier. For four of the compounds, the slow ring interconversion (chairreversible arrowchair) for the annelated saturated seven-membered ring that formed part of the bicyclic system was also evident. In these four compounds, both dynamic processes were also studied theoretically using ab initio methods whilst the ring interconversion was additionally studied using molecular dynamic simulations. The interconversion between the two stable chair forms was deemed to occur via a conformation series consisting of chairreversible arrowboatreversible arrowtwist-boatreversible arrowboatreversible arrowchair. (C) 2004 Elsevier Ltd. All rights reserved Y1 - 2004 SN - 0040-4020 ER - TY - JOUR A1 - Stöcklein, Walter F. M. A1 - Warsinke, Axel A1 - Micheel, Burkhard A1 - Höhne, Wolfgang A1 - Woller, Jochen A1 - Kempter, Gerhard A1 - Scheller, Frieder W. T1 - Characterization of a monoclonal antibody and its Fab fragment against diphenylurea hapten with BIA Y1 - 1998 SN - 3-8154-3540-4 ER - TY - JOUR A1 - Stöcklein, Walter F. M. A1 - Warsinke, Axel A1 - Micheel, Burkhard A1 - Höhne, Wolfgang A1 - Woller, Jochen A1 - Kempter, Gerhard A1 - Scheller, Frieder W. T1 - Detection of diphenylurea derivatives with biospecific interaction analysis (BIA) : Kinetic investigations Y1 - 1997 ER - TY - JOUR A1 - Kleinpeter, Erich A1 - Heydenreich, Matthias A1 - Woller, Jochen A1 - Wolf, Gunter A1 - Koch, Andreas A1 - Kempter, Gerhard A1 - Pihlaja, Kalevi T1 - Configuration and stereodynamics of exo/endoisomeric push-pull alkenes of pentadiene structure Y1 - 1998 ER - TY - JOUR A1 - Woller, Jochen A1 - Spindler, Jürgen A1 - Sarodnick, Gerhard A1 - Kempter, Gerhard T1 - Synthese neuer Thieno- und Pyrazolopyridine als potentielle Pharmaka Y1 - 1996 ER - TY - THES A1 - Woller, Jochen T1 - Synthesen und Reaktionen von Cycloalkylidenmalonsäurederivaten Y1 - 1995 ER - TY - JOUR A1 - Werner, Deljana A1 - Behrsing, Olaf A1 - Scharte, Gudrun A1 - Woller, Jochen A1 - Steup, Martin A1 - Micheel, Burkhard T1 - Monoclonal anti-diuron antibodies prevent inhibition of photosynthesis by diuron Y1 - 2002 ER - TY - JOUR A1 - Rohde, M. A1 - Schenk, Jörg A. A1 - Heymann, Stephan A1 - Behrsing, Olaf A1 - Scharte, Gudrun A1 - Kempter, Gerhard A1 - Woller, Jochen A1 - Höhne, Wolfgang A1 - Warsinke, Axel A1 - Micheel, Burkhard T1 - Production and characterization of monoclonal antibodeis against urea derivatives Y1 - 1998 ER -