Studies of solvent effects

The effect of water on the conformational preferences of acetylcholine has been studied within the discrete, the continuum and the combined discrete-continuum models described in parts I and II of this series. All the models lead to the conclusion that the trans-gauche form which is, following refined quantum-mechanical computations, the intrinsically preferred one and the one observed in the crystal of acetylcholine and of a number of analogues should remain also the preferred conformation in water. This result agrees with NMR studies. The results of the empirical discrete model used here compare favorably to those obtained by an ab initio super-molecule treatment. The continuum model utilized here represents a net improvement above such models utilized in other works.     

汽车制造商分时租赁模式采用及产品线策略研究

考虑自有平台和第三方平台两种分时租赁方式,将汽车质量划分为性能质量和环境质量,构建销售模式、纯分时租赁模式和混合模式下的产品线策略模型,研究制造商产品线策略与商业模式之间的相互作用。研究发现,同品牌产品间竞争和合并效应是分时租赁模式影响产品线策略的两个关键因素。同品牌产品间竞争的加剧和合并效应的增大都会激励企业选择性能更好的车型而忽略其环境表现。分时租赁模式能同时改进利润与产品环境表现,但存在条件:当消费者价格敏感性较低时,使用成本高且合并效应小是实现同时改进的条件;当消费者价格敏感较高时,使用成本低且合并效应小则是同时改进的条件。     

Essential spectrum and -solutions of one-dimensional Schrödinger operators

In 1949, Hartman and Wintner showed that if the eigenvalue equations of a one-dimensional Schrödinger operator possess square integrable solutions, then the essential spectrum is nowhere dense. Furthermore, they conjectured that this statement could be improved and that under this condition the essential spectrum might always be void. This is shown to be false. It is proved that, on the contrary, every closed, nowhere dense set does occur as the essential spectrum of Schrödinger operators which satisfy the condition of existence of -solutions. The proof of this theorem is based on inverse spectral theory.

     

DrugFET的研究（XⅢ）：四苯硼钠一烟碱FET的研制与应用

本文将离子敏感场效应晶体管（ＩＳＦＥＴ）与药物敏感膜相结合,研制成一种药物敏感场效应晶体管传感器（ＤｒｕｇＦＥＴ）。用四苯硼钠为电活性物质,邻苯二甲酸二辛酯为增塑剂,制成ｐｖｃ膜,对烟碱的线性范围为１．０×１０－２～２．０×１０－５ｍｏｌ／Ｌ,斜率为５７．５ｍｖ／ｐｃ,适宜ｐＨ范围为５．５～８．０,检出限为１．０×１０－６ｍｏｌ／Ｌ。用该传感器分析烟草中烟碱的含量,结果和分光光度法相一致。     

二元矩阵值分叉连分式插值的矩阵算法

本文给出了一个计算二元矩阵分叉连分式插值的系数算法以及与此算法等价的矩阵算法,这种算法是用矩阵广义逆意义下定义的矩阵行、列初等变换而给出的．     

Effect of ‘Transannular Transmission’ in Dibenzo-18-Crown-6

The effect of the nature of the substituent in the monosubstituted derivatives of dibenzo-18-crown-6 on the reactivity and direction of the electrophilic substitution reaction of the unsubstituted benzene ring has been determined. This transfer is carried out via the macrocycle and therefore is called transannular transmission. The possible mechanism of this transmission is discussed.     

Theoretical approach and the practice to the evaluation of structural parameters characterizing concentration polarization alongside ion-exchange membranes by means of dielectric measurement

As the application of a dielectric theory proposed previously (J Membrane Sci 64:153–161 (1991)), theoretical formulation and the practical procedure of dielectric analysis are developed to calculate the structural parameters such as the conductivity gradient and the thickness of the concentration polarization layer, the capacitances and the conductances of the two adjoining aqueous phases from the observed dielectric parameters. The procedure of calculation consequent upon the theoretical formulation was applied to double relaxation data observed for cation-exchange membrane systems under application of d.c. bias voltage. As a consequence, the structural parameters of concentration polarization were readily obtained with accuracy.     

Mössbauer Spectroscopic Studies of Ferrocenylaldimines and their TCNQ Complexes

A series of ferrocenylaldimines (Fc-CH=N-R) has been prepared by Schiff base condensation of formylferrocene with polyacenylamines RNH₂ where R = naphthyl, 5,6,7,8-tetrahydronaphthyl, anthracenyl, and pyrenyl groups. This step was followed by oxidation with TCNQ to give [Fc-CH = N-R][TCNQ]² salts. The electronic state of iron in these compounds was investigated by means of⁵⁷Fe Mössbauer spectroscopy.     

The Kissinger law and isokinetic effect: Part II. Experimental analysis

On the basis of copper sulphate pentahydrate thermal dissociation, for analyzed reactions I to IV, 6 thermokinetic equations was discussed. Arrhenius law parameters were determined and the isokinetic effect (IE) and Kissinger law appearing was analyzed. It was found that only dependence resulting from isokinetic effect, in the form k _m=q/T _m, relates to the suitable thermokinetic Eq. (2) and Kissinger law in modified form (14). The confirmation was made that the possibility of determining the averaged activation energy from thermokinetic equations using suitable correction coefficients exists.This revised version was published online in November 2005 with corrections to the Cover Date.     

Polarisabilites moléculaires et effet diélectrique de milieu à l'état liquide. Étude théorique de la molécule d'eau et de ses diméres

The model of Onsager in which a polar molecule undergoes a reaction field due to the polarization of the molecular surroundings is used to evaluate by a S.C.F. calculation (CNDO/2 approximation) the modifications of a molecular structure in the liquid state.Application to water molecule and to three polar dimers for values of the dielectric constant varying between 3 and 78, shows that most of geometric parameters and dipoles moments vary of few per cent when the molecule is inserted in a liquid. In the liquid state dipole moments do not depend very much on the dielectric constant but energies and relative stabilities of isomers are strongly dependent on the medium.[/p]