Fast Experiments for Charge-Density Determination: Topological Analysis and Electrostatic Potential of the Amino Acids L-Asn, dl-Glu, dl-Ser, and L-Thr

• Published in: Angewandte Chemie International Edition Vol. 38; no. 10; pp. 1397 - 1400
• Main Authors: Flaig, Ralf, Koritsánszky, Tibor, Janczak, Jan, Krane, Hans-Georg, Morgenroth, Wolfgang, Luger, Peter
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag GmbH 17-05-1999; WILEY‐VCH Verlag GmbH
• Subjects: Amino acids; Charge density; Electrostatic interactions; Synchrotron radiation; Topological analysis; Charge density; Amino acids; Electrostatic interactions; Topological analysis; Synchrotron radiation
• ISSN: 1433-7851; 1521-3773
• DOI: 10.1002/(SICI)1521-3773(19990517)38:10<1397::AID-ANIE1397>3.0.CO;2-U

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.