Simulation of epitaxial growth is a unique technique available for understanding the growth kinetics in an atomic level. By use of Monte Carlo simulation, homoepitaxial growth of Si (100) is studied. The surface reconstruction of 2×1 is taken into account by introducing the dimer formation. The d mer formation and the accompanying dimer row formation play an inportant role in the growth, which give rise to the layer-by-layer fashion growth. The role of two different types of step during the growth is also studied in relation to the dimer row formation for the growth on a vicinal Si (100) surface.
The folding pathway of a protein molecule in vivo is related to the formation of disulfide bonds. However, little is known about the mechanism of the folding process, because it is quite difficult to identify an intermediate in the formation of disulfide bonds during protein folding in vivo. Here, the relationship between protein folding and disulfide bond formation is discussed based on the results of the structural analyses of mutant human lysozymes, designated as C77/95A and C77A-a, in which a disulfide bond between Cys77 and Cys95 was modified.
A series of crystal structures of bilayer forming synthetic lipid, CnAzoCmN+Br-, was determined by the X-ray diffraction method. Two typical aggregation states were found. The J-aggregation states were observed for compounds with m=5 and the H-aggregation states were observed for compounds with m-n=2. From the relationship between chemical structures and their two-dimensional bilayer structures, factors determining the molecular packing mode within a bilayer were discussed.
Good correlation has been found between crystal structures and liquid crystalline behavior for several series of chiral mesogenic biphenyl esters with various phase sequences. The crystal structures are controlled by simple modes of arrangements of the polar groups.
The transition metal coordination polymers are of substantial interest in providing unprecedented novel solid properties based on co-operation of electronic, optical and magnetic phenomena. However, there have beeen no such compounds that localized spins and delocalized conducting electrons are coupled on the 2-dimensional layers. This is due to the lack of rational synthesis to link polymer motifs of metal complexes. This is synthetic research to create various type of 1-and 2-dimensional copper coordination compounds.
In order to reveal the mixing state of two-component liquids, a description of “fluctuation” is presented on behalf of the strucutre description by radial distribution functions. The concentration fluctuation and the Kirkwood-Buff parameters are the good parameters to investigate the mixing state. These parameters are obtained by small-angle X-ray scattering experiments. The theoritical base of the parameters is reviewed. As an example of the analysis of the mixing state, the small-angle X-ray scattering studies for ethyl alcohol-water, iso-propyl alcohol-water, n-propyl alcohol-water and tert-butyl alcohol-water are presented.