On the ab initio evaluation of the solvent shift of electronic absorption spectra

Solvent shift in water of π → π^* transitions of the carbonyl group is evaluated making use of a recently proposed computdtional procedure for the continuum solvent model. Comparisons with the discrete model and with composite discrete-continuum procedures are performed.     

Application of the Thorpe—Ziegler reaction for the synthesis of functionalized thiophenes,thienopyrimidines, and thienotriazines

Approaches to the synthesis of 3-aminothiophene-2,4-dicarboxylic acid derivatives and to their conversions into thieno[3,4-d]pyrimidines, thieno[3,4-d]-1,2,3-triazines, and thieno[3,2-d]pyrimidines are developed.     

邻菲啰啉对固定尿酸酶催化反应动力学的影响

The activation energy of the enzyme-catalyzed reaction for uric acid decreases markedly in the presence of o-phenanthroline, which activates the bioelectrochemicla activity of the polypyrrole uricase electrode. The response current of the enzyme electrodeis independent of the concentration of o-phenanthroline. Based on the experimental results, the mechamsm of the enzyme-catalyzed reaction for uric acid in the presence of o-phenanthroline is presented as follows: E+A→EA, EA+S EAS, EAS→EA+P, where E, A, S and P are the enzyme, activator, substrate and product, respectively. The effects of pH value, potential and the uric acid concentration on the response currents of the uricase electrode have been studied in the presence of o-phenanthroline. In the presence of o-phenanthroline, the response current of the enzyme electrode increase linearly with increasing concentration of uric acid in the region of 0.07 to 0.67 mmol·L~(-1), therefore the polypyrrole uricase electrode which has once lost its activity can be activated and used again to determine the substrate concentration.     

Magnetic behavior of copper diethyldithiocarbamate at low temperatures: A reinvestigation

The title compound, Cu(S₂CNEt₂)₂, behaves at low temperatures (1–20 K) as a normal spin-1/2 molecule, with 〈g〉 =2.06 and the Curie-Weiss θ = +0.25 K. This result contradicts an earlier investigation that led to the suggestion that the crystallographically-occurring dimers are coupled ferromagnetically.     

Superoxes,high temperature universal phases in (GC)2

Most of the common classes of organic compounds chromatograph normally on Superoxes. There is no tailing or adverse effect from excessively different activity different activity coefficients. Superoxes are therefore universal phases for gas chromatography. This is also expressed by a wide useful temperature range from ～50° to ～300°. High MW Superox-4 has a MAOT about 20° higher than the lower MW Superox-0.1. Several applications illustrating the versatility of Superox phases in (GC)² are presented.     

Regio- and stereoselectivity in the addition reactions of CH-acids to aldehydes under the conditions of phase-transfer catalysis

The regio- and stereoselectivity of the reactions of carbanions, generated from alkanals, carboxylates of the type XYCHCOOEt (X = EtOOC, CN, Ac; Y = H, Br), or derivatives of 3-methyl-4-phosphono-2-butenoic acid using PTC techniques, with aldehydes of various types (alkanals, ,-enals, cross-conjugated enedials, benzaldehydes,etc.) are reviewed. The factors affecting the outcome of these reactions are discussed. The carbanion analogs, triphenylphosphorus ylides, are shown to attack selectively at one of the aldehyde groups of aromatic dialdehydes. The regularities found for the title reactions were used in the syntheses of some biologically active isoprenoids.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1867–1885, October, 1995.     

Estimation of a quantile in some nonstandard cases

A necessary condition for the asymptotic normality of the sample quantile estimator isf(Q(p))=F(Q(p))>0, whereQ(p) is thep-th quantile of the distribution functionF(x). In this paper, we estimate a quantile by a kernel quantile estimator when this condition is violated. We have shown that the kernel quantile estimator is asymptotically normal in some nonstandard cases. The optimal convergence rate of the mean squared error for the kernel estimator is obtained with respect to the asymptotically optimal bandwidth. A law of the iterated logarithm is also established.This research was partially supported by the new faculty award from the University of Oregon.     

Two new bounds on the size of binary codes with a minimum distance of three

We prove two new upper bounds on the size of binary codes with a minimum distance of three, namelyA(10, 3)76 andA(11, 3)152.     

A law of the iterated logarithm for processes with independent increments

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Complete solutions of a family of quartic Thue and index form equations

Continuing the recent work of the second author, we prove that the diophantine equation

for has exactly 12 solutions except when , when it has 16 solutions. If denotes one of the zeros of , then for we also find all with .