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Fast Experiments for Charge‐Density Determination: Topological Analysis and Electrostatic Potential of the Amino Acids L ‐Asn, dl ‐Glu, dl ‐Ser, and L ‐Thr
Author(s) -
Flaig Ralf,
Koritsánszky Tibor,
Janczak Jan,
Krane HansGeorg,
Morgenroth Wolfgang,
Luger Peter
Publication year - 1999
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(19990517)38:10<1397::aid-anie1397>3.0.co;2-u
Subject(s) - intramolecular force , intermolecular force , charge density , charge (physics) , carboxylate , laplace operator , chemistry , topology (electrical circuits) , physics , computational chemistry , crystallography , mathematics , stereochemistry , molecule , quantum mechanics , combinatorics , organic chemistry
Synchrotron radiation and CCD detection give the possibility for fast diffraction experiments, which were employed to deduce the exact charge‐density distributions of some amino acids. Their topological analysis (the figure shows the negative Laplacian function of dl ‐serine in the plane of the carboxylate group) yields not only comparable information about intramolecular but also about weak intermolecular interactions.