An all-electron calculation of an antihypertensive protein with the Gaussian-based density functional method

An all-electron calculation of the antihypertensive and antiviral protein BDS-I from the sea anemone Anemonia sulcata was carried out using the density functional method based on Gaussian-type orbitals with workstations. Our computer program ProteinDF coded by the object-oriented language C++, was originally designed for all-electron calculations of proteins and controlled in parallel with high efficiency. The numbers of residues, atoms, orbitals and auxiliary functions of the calculated protein were 43, 629, 3615 and 6545, respectively. This Letter reports timing data of the computation and some calculated electronic properties. Our program will open the door for advanced studies of larger proteins.     

On relations for the multiple <Emphasis Type="Italic">q</Emphasis>-zeta values

We prove a new relation for the multiple q-zeta values (MqZV’s). It is a q-analogue of the Ohno-Zagier relation for the multiple zeta values (MZV’s). We discuss the problem of determining the dimension of the space spanned by MqZV’s over ℚ, and present an application to MZV. The first author is supported by Grant-in-Aid for Young Scientists (B) No. 17740026 and the second author is supported by Grant-in-Aid for Young Scientists (B) No. 17740089.     

Mössbauer characterization of calcium–ferrite oxides prepared by calcining Fe2O3 and CaO

Calcium ferrite oxides were prepared by calcining a mixture powder of iron- and calcium oxide. The ⁵⁷Fe-Mössbauer spectra of the calcium ferrites oxides were measured, revealing that the products should be Ca₂Fe₂O₅ and CaFe₂O₄, the ratio of which was dependent of the Fe/Ca atomic ratio of the mixture powder.     

Kinetic resolution of d,l-myo-inositol derivatives catalyzed by chiral Cu(II) complex

Kinetic resolution of d,l-myo-inositol derivatives having a 1,2-diol functionality by monobenzoylation was achieved using (R,R)-Ph-BOX-Cu(II) as a catalyst. The monobenzoylation preferentially took place at the 1,2-diol functionality via a highly enantiodiscriminatory process, which was largely influenced by a substituent at the position adjacent to the 1,2-diol functionality. This method was applied to a synthesis of biologically important d-inositol-1-phosphate.     

Effects of Spatial Coherence and Dispersive Diffraction on a Change in Optical Spectrum

This paper describes a change in optical spectrum on propagation in free space for a particular class of spatially partially coherent fields emanating from a polychromatic secondary source. A rectangular opening aperture in an opaque screen, illuminated with an extended incoherent polychromatic primary source, works as the secondary source. The spectral change is explored in detail theoretically and experimentally in association with spatial coherence in the secondary source as well as dispersive diffraction by the secondary source. The peak shift of the spectrum is associated with the coherence area for characterizing the secondary source. The peak shift becomes maximum if the secondary source is spatially coherent, but no shift occurs if the secondary source is spatially incoherent.     

Signal enhancement in ESR spin-trapping for hydroxyl radicals.

In an ESR spin-trapping measurement of hydroxyl radicals formed in a Fenton reaction, the trapping efficiency with DMPO increased by about 300 times in a sodium trifluoroacetate solution, whereas it was little changed in a phosphate buffer.     

Semi-selfdecomposable distributions and a new class of limit theorems

Self-decomposable distributions are given as limits of normalized sums of independent random variables. We define semi-selfdecomposable distributions as limits of subsequences of normalized sums. More generally, we introduce a way of making a new class of limiting distributions derived from a class of distributions by taking the limits through subsequences of normalized sums, and define the class of semi-selfdecomposable distributions and a decreasing sequence of subclasses of it. We give two kinds of necessary and sufficient conditions for distributions belonging to those classes, one is in terms of the decomposability of random variables and another is in terms of Lévy measures. Received: 1 May 1997 / Revised version: 5 February 1998     

Synthesis of new chitosan derivatives and combination with biodegradable polymer

New chitosan derivatives are synthesized by the reductive N‐alkylation reaction of chitosan with various aldehydes, such as 2,4‐dihydroxybenzaldehyde, cholesteryl 4‐formylbenzoate, and N‐dehydroabietyl‐4‐formylbenzamide. The palladium‐adsorption ability of the newly synthesized derivatives is found to be as good as that of chitosan. A blend of chitosan and other biodegradable polymers is also found to exhibit palladium‐adsorption ability. In comparison to the starting chitosan, the chitosan derivative having dehydroabietyl‐type side chains exhibited an improved solubility in methanol. The chitosan derivatives are successfully applied as plastic coating materials for electroless plating. Copyright © 2003 John Wiley & Sons, Ltd.