title: An experimental and theoretical investigation of the core level spectra of a series of amino acids, dipeptides and polypeptides.
abstract: A series of simple amino acids, dipeptides and polypeptides have been studied experimentally by electron spectroscopy for chemical analysis and the results theoretically quantified using the charge potential model and semi-empirically computed charge distributions, and non-empirical calculations of absolute and relative binding energies for model systems. Core binding energies are shown to be characteristic of given structural features and the experimental data taken in conjunction with the model theoretical calculations indicate a zwitterionic structure with extensive intermolecular hydrogen bonding for simple amino acids in the solid state.
mesh_terms: D000596:Amino Acids; D001665:Binding Sites; D004151:Dipeptides; D004583:Electrons; D008956:Models, Chemical; D008968:Molecular Conformation; D010455:Peptides; D011485:Protein Binding; D011487:Protein Conformation; D013057:Spectrum Analysis; D013329:Structure-Activity Relationship; D013816:Thermodynamics
chemical_list: D000596:Amino Acids; D004151:Dipeptides; D010455:Peptides