Hydrogen Bonds In The Supramolecular Systems Containing Amino Acids

Supramolecular chemistry is applied in many fields as a burgeoning subject. It plays an important role especially in the biological science. Non-covalent interactions in molecule, such as hydrogen bond interaction, hydrophobic interaction, statistic interaction and so on, is very common in biological systems. Of which the hydrogen bond interaction is the most important. As the fundamental ingredients of the proteins, amino acid is one of the chemical substances in prebiotic systems. The analysis of The self-assembly systems by hydrogen bond involving amino acids and peptides is important in the aspect of chemical evolution and life science. The crystal and molecular structures of supramolecules involving amino acid/organic acid and amino acid/inorganic acid have been studied in this thesis. The hydrogen bond interaction in studied supramolecules is especially focused The main work is as follows:1. The origin and the current situation of supramolecular chemistry was introduced The hydrogen bond and several factors affecting the self-assembly were described2. Summarizing the aggregation and interactions in supramolecule involving amino acids and the role in chemical evolution. The hydrogen bonds in these systems were systematically classified.3. Synthesis and X-ray crystallographic analysis of the L-phenylalanine nitrate have been done. The non-covalent interactions in the complex, such as "T- π ", hydrophobic zone and hydrophilic zone were discussed in detail. The differences between the complex and the other reported complexes containing L-phenylalanine were compared.4. Synthesis and X-ray analysis of the L-argine-maleic acid dihydrate has been done. The three dimensional hydrogen bond net systerm was particularly discussed and compared with the other complexes containing the L-argine. In addition, we studied the Mass spectrum of the complex.5. Molecular simulation study on the interactions between Ser-His dipeptides and Tris by molecular dynamics approach. The same method is also applied to the systems of Ser-His/citric acid, Bistris/Ser, Tris/Lys in order to understand the molecular mechanism of the non-covalent interactions involving amino acid.