胆汁酸盐-胆红素-钙离子三元复合物的构象性质

根据九种胆汁酸盐-胆红素-钙离子三元体系的UV和CD实验所见, 提出一种所形成的三元复合物的构象模型。利用PPP-SCF-CI-DV量子化学程序拟合有关的UV和CD谱, 研究三元复合物的构象性质。得到两类六种与光谱学实验符合的胆红素分子的最佳构象。利用它们可以解释九种胆汁酸盐-胆红素-钙离子三元复合物表现在园二色谱中的手性性质。     

二维卷积在动力学分析中的应用

本文用计算机模拟和二维卷积研究了稀土与间乙酰基偶氮氯膦的显色反应，选择不同的模型参数可描述这类反应的细节，二维卷积则增强对叠合二维谱的分辨。     

Peptide late-stage C(sp3)–H arylation by native asparagine assistance without exogenous directing groups

There is a strong demand for novel native peptide motifs for post-synthetic modifications of peptides without pre-installation and subsequent removal of directing groups. Herein, we report an efficient method for peptide late-stage C(sp³)–H arylations assisted by the unmodified side chain of asparagine (Asn) without any exogenous directing group. Thereby, site-selective arylations of C(sp³)–H bonds at the N-terminus of di-, tri-, and tetrapeptides have been achieved. Likewise, we have constructed a key building block for accessing agouti-related protein (AGRP) active loop analogues in a concise manner.

An efficient method for peptide late-stage C(sp³)-H arylations assisted by unmodified side chain of asparagine (Asn) without any exogenous directing group has been reported.     

Systematic studies of fission fragment kinetic energy distributions by Langevin simulations

Fission fluctuation-dissipation dynamics of heavy nuclei has been studied using Langevin Monte Carlo simulations. The covariant form of the fission transport equation and the coefficients related to it are investigated. To learn about the influence of the dynamics from the ground state to the saddle point on the kinetic energy distributions we have studied various systems and compared the calculations both starting from the ground state and from the saddle point. Both the mean total kinetic energy of the fission fragments and its variances can fit with the experimental values in terms of a finite neck radius as scission condition.This work was supported by the National Natural Science Foundation of China.     

Density and momentum dependence of the coupling strengths for scalar and vector fields

The collision term has been deduced based on the effective Lagrangian in addition to the mean-field. We propose the momentum- and density-dependent coupling strengths for scalar and vector fields. The saturation properties of nuclear matter, the experimental data of the energy-dependent optical potential and the mean free path in the nuclei can be reproduced simultaneously. The in-mediumn–n cross section has also been calculated for different densities and energies, our results are consistent with Dirac-Brueckner-Hartree-Fock calculations.Supported by National Natural Science Foundation of China     

Large-scale synthesis of tube-like ZnS and cable-like ZnS-ZnO arrays: Preparation through the sulfuration conversion from ZnO arrays via a simple chemical solution route

Arrayed structures are desirable for many applications, but the fabrication of many material arrays remains a significant challenge. As a prominent II-VI semiconductor, large-scale arrayed ZnS structure has not been easily fabricated. Here, we introduce a simple structure conversion route for the synthesis of novel arrayed structures, and large-scale tube-like ZnS structure arrays and cable-like ZnS-ZnO composite arrays were successfully prepared through sulfuration conversion from arrayed rod-like ZnO structure based on a hydrothermal method at low temperature. XRD, EDS, SEM, TEM and PL are used to confirm the formation of the novel arrayed structure and trace the conversion process. The results show that the conversion ratio can be conveniently tailored by the reaction time, and the PL properties of the obtained materials can be adjusted through the conversion ratio. Especially, the cable-like structure holds the PL properties of both ZnO and ZnS structures. This simple solution method can be further extended to the preparation of other semiconductor sulfide and selenide, and can amplify the application field of large-scale arrays of semiconductors.     

低碳烃芳构化过程中HZSM－5催化剂结炭规律的研究

用ＧＣ、ＴＰＯ－ＧＣ、ＮＨ＿３－ＴＰＤ和ＴＥＭ等方法，测定了丙烷在ＨＺＳＭ－５沸石上芳构化过程中，催化剂的活性、结炭量、结炭Ｃ／Ｈ比、酸密度等，考察了催化剂的结炭量与其它参数之间的关系。结果表明，在反应温度为８７３Ｋ，进料空速ＷＨＳＶ＝５ｈ￣（－１）时，丙烷在ＨｚＳＭ－５上的结炭首先发生在沸石晶体的外表面的活性中心上（结炭量１．８％之前）；结炭量为１．８～３．４％时，主要在孔道交叉点结炭；结炭量在３．４～５．７％时，孔道已有受限或阻塞现象发生，导致一些富氢的结炭物在孔道内生成。     

糖和H_8-BINOL衍生的单齿亚磷酸酯配体的合成及其Rh催化α-脱氢氨基酸不对称氢化反应的研究

由单糖(如果糖、葡萄糖和甘露醇)和H8-2,2'-联萘二酚出发设计和合成了的六个手性单齿亚磷酸酯配体,研究了其铑配合物催化α-脱氢氨基酸甲酯的不对称氢化反应,在1%mol催化剂量和0.12MPaH2下,产物的对映选择性最高达到90.6%e.e.     

Highly effective and recyclable dendritic ligands for the enantioselective aryl transfer reactions to aldehydes

[reaction: see text] A series of chiral pyrrolidinylmethanol-based dendritic ligands were synthesized for application in enantioselective aryl transfer reactions to aldehydes with the (ArBO)3/ZnEt2 system in up to 98% ee.     

丙烯酸酯接枝炭黑无皂水性涂料的性能研究

旋转粘度计研究了丙烯酸酯接枝炭黑无皂水性涂料的流变性能，并考察了着色涂料的冻融及贮存稳定性。接枝炭黑争散于无皂水性涂料中形成的着色涂料具有良好的综合性能。