Histidine Derivatives Charge To Mass Transfer Theory

Histidine (His) is one of the primary components of the hemachrome, with remarkable buffer effects at the pH value of intracellular fluid and blood. It is significant for erythrocyte to convey the oxygen and the carbon dioxide in blood. The histidine derivatives are involved in electron transfer of photosynthesis, nucleic acid bases and amino acids, specifically; enzyme action and protein structural determination. The hydrogen bonding interaction of two heterocyclic systems occurs in various biological complexes and is one of the most important factors determining the biological functions of these complexes. This kind of intramolecular and intermolecular hydrogen bonding plays a pivotal role in molecular conformation, crystal packing, protein folding and the binding between some nucleoside bases. More generally, the ordered structures of biological macromolecules are determined by a variety of intermolecular interactions in which hydrogen bonding is essential. The unique ring structure of imidazole (ImH) permits the proton to be picked up by one N atom and the other H/H~+ to be released from the other N atom. This action has been proposed to explain the proton conductivity properties of ImH in the solid state and also in the actual biological surrounding where a long H-bonded chain is present.For the exploration on the relationship of electron population and molecular conformation with reaction activity and biological function for biomolecules, the coupling mode, Mulliken charge population, harmonic vibrational frequency, molecular orbitals (HOMO and LUMO), NMR spin-spin coupling constants, isomerization mechanism, and related energies of histidine derivatives are elucidated with a special emphasis on the investigation about the effect of various regulating factors (including the electron effect, water ligation, metal cation binding, solvent effects, contact distance and point charge dependence, temperature and pressure) on the system. A series of intriguing phenomenon are found involving the electron transfer, proton conduction, reservation energy bond, and electron bridging dihydrogen bond, a plentiful and substantial production of scientific research are achieved. This work represents a lot of basilic information for chemists and the research on relative biological system. The primary...