Investigation of the reaction of N-substituted indolylborates: Palladium catalyzed cross-coupling reactions and intramolecular alkyl migration reactions

The palladium catalyzed cross-coupling reaction of indolylborates with various N-protecting groups was investigated, where N-Methyl, N-methoxy, and N-tert-butoxycarbonyl groups were found to be useful. However, triethyl(1-methoxymethylindol-2-yl)borate could not be used for this reaction. It was also found that the alkyl migration reaction of trialkyl(1-methoxymethylindol-2-yl)borate produced 2-alkyl-1-methyl-indole accompanied by the unexpected reduction of 1-methoxymethyl group to 1-methyl group.     

Monitoring of Dynamic Behavior of Phospholipids at Liquid/Liquid Interfaces by a Time-Resolved Quasi-Elastic Laser-Scattering Method

Phospholipids, which consist of a zwitterionic head group connected to a pair of long hydrocarbon chain, constitute the major component of most cell membranes. A monolayer composed of phospholipids at the interface between two immiscible liquids is a useful model system for studying biological and artificial membranes.     

Behavior of Tetraalkylammonium Bromide in Phase Transfer Catalytic Reaction at a Liquid/Liquid Interface as Studied by a Quasi-Elastic Laser Scattering Method

The liquid/liquid interface plays important roles in various processes such as phase transfer catalyst,solvent extraction and ion-selective electrode.     

Steric‐Factor‐Directed Alternating Supramolecular Copolymer Composed of Hydrogen‐Bonded Cyclohexanetricarboxamide Units

Hydrogen‐bonded supramolecular copolymers were easily prepared by mixing cyclohexanetricarboxamides with three ( 1 ) and six ( 2 ) alkylsilyl groups, and supramolecular fibers were fabricated. When the composition of 1 and 2 was at or close to equimolarity, the supramolecular copolymer chain was found to have an alternating sequence. This was attributed to the fact that the steric factor of the alkylsilyl side chains effectively controls the unit sequence of the supramolecular polymer chain.

     

Development of a new density functional program for all-electron calculation of proteins

In this article, we propose a new molecular orbital program for all-electron calculation of proteins which is based on density functional theory. To carry it out in a fully analytical way, we adopted the (pure-) analytical Xα method and modified it for saving a lot of memories for large-scale calculations. The recent software technology sophisticated in information science is inevitably applied to achieve calculations of large molecular systems. The program is coded by the object-oriented language C + +, its output is shown graphically, and the most of the procedures in this program are controlled through an efficient graphical user interface developed by ourselves. Such technology supports the safe construction of the huge software, the tidy representation of enormous data, and the ready control of complex calculations. Test calculations with various sizes of glycine polypeptides indicate that the computation time is proportional to the 1.7 powers of the number of residues. This result suggests that the all-electron calculations of proteins consisting of over 1000 atoms could be performed with distributed and/or massively parallel computers. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 245–256, 1997     

Helix change of polypeptides in the solid state as studied by NMR spectroscopy

The conformational characterization of solid polypeptides has been carried out by means of high-resolution solid-state NMR. It has been demonstrated that high-resolution solid-state NMR spectroscopy is a very useful means for elucidating the structure of polypeptides and proteins in the solid state.     

The stability of a quantized vortex in a dilute Bose gas confined to a toroidal trap

We investigate the stability of a quantized vortex in a weakly interacting Bose gas, trapped in a toroidal container with hard walls. Calculating the excitation spectrum numerically and determining the stability condition by the Landau criterion, we examine the effect of reducing the confinement region of the condensate on the vortex stability. We find that tight confinement of the condensate increases the stabilization of the quantized vortex because an increase in the zero sound velocity due to tight confinement prevents the emergence of the elementary excitation which breaks superfluidity of the Bose system. We also discuss the experimental setup to observe such an effect.