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Fast Experiments for Charge-Density Determination: Topological Analysis and Electrostatic Potential of the Amino AcidsL-Asn,dl-Glu,dl-Ser, andL-Thr
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1999
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EngineeringAmino AcidsMolecular BiologyComputational ChemistryCharge TransportTheoretical ElectrochemistrySpectra-structure CorrelationFast ExperimentsBiophysicsBiochemistryMolecular ElectrochemistryConformational StudyElectrostatic PotentialPhysical ChemistryQuantum ChemistryCcd DetectionSynchrotron RadiationNatural SciencesFundamental ElectrochemistryCharge-density DeterminationIon Structure
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.