以gp41为靶标的小分子-多肽缀合物作为HIV-1融合抑制剂的设计、合成及活性初筛

芳基吡咯类小分子化合物NB-2衍生物(Noc或Npc)与衍生于C34中的靶标特异性多肽P26所形成的缀合物具有低纳摩尔水平的融合抑制活性.本文通过不同长度或不同柔性的连接臂将Noc或Npc与衍生于C34的靶标特异性多肽P27缀合,探讨了C34中a位残基I635和连接臂对缀合物活性的影响.人体免疫缺陷病毒1型(HIV-1)Env介导的细胞-细胞融合实验结果表明,多肽与小分子之间产生了强的协同作用.     

溶剂诱导聚合物结晶的研究进展

溶剂诱导结晶(SINC)又称为液体诱导结晶,它是结晶性高聚物在溶剂(或包括其蒸汽)作用下,在低于通常Tg下诱导结晶,而在高于通常Tg时能加速结晶的现象。本文主要对溶剂诱导结晶的机理、动力学和形态学进行了讨论。     

Benzylation of Aromatic Compounds with Benzyl Chloride Catalyzed by Nafion/SiO_2 Nanocomposite Catalyst

Diphenylmethane and substituted diphenylmethane are important compounds forsynthesis chemistry as well as industrial chemistry. These compounds are easilysynthesized by the benzylation of aromatic compounds with benzyl chloride or benzylalcohol catalyzed by homogeneous acid catalysts, such as AlCl3, FeCl3, H2SO4, HF andBF3. However, these catalytic systems are highly corrosive, and usually proceed withlow selectivity. In addition, they are less satisfactory from the environmen…     

Virtual screening of novel noncovalent inhibitors for SARS-CoV 3C-like proteinase

The SARS coronavirus 3C-like proteinase is considered as a potential drug design target for the treatment of severe acute respiratory syndrome (SARS). Owing to the lack of available drugs for the treatment of SARS, the discovery of inhibitors for SARS coronavirus 3C-like proteinase that can potentially be optimized as drugs appears to be highly desirable. We have built a "flexible" three-dimensional model for SARS 3C-like proteinase by homology modeling and multicanonical molecular dynamics method and used the model for virtual screening of chemical databases. After Dock procedures, strategies including pharmocophore model, consensus scoring, and "drug-like" filters were applied in order to accelerate the process and improve the success rate of virtual docking screening hit lists. Forty compounds were purchased and tested by HPLC and colorimetric assay against SARS 3C-like proteinase. Three of them including calmidazolium, a well-known antagonist of calmodulin, were found to inhibit the enzyme with an apparent K(i) from 61 to 178 microM. These active compounds and their binding modes provide useful information for understanding the binding sites and for further selective drug design against SARS and other coronavirus.     

可生物降解的pH敏感水凝胶的合成及其溶胀性能研究

采用明胶和聚乙烯醇为原料,制备了戊二醛交联、明胶／聚乙烯醇配比不同的水凝胶,并用FTIR和SEM对产物进行了表征。研究了凝胶的溶胀动力学,结果表明,原料配比对各种凝胶的溶胀速率影响不大,而对平衡溶胀比与原料配比有关,室温下凝胶的平衡溶胀比在300％～500％之间。pH敏感性研究表明,几种凝胶均表现出明显的pH响应性,当溶胀介质的pH值在明胶等电点附近时,水凝胶的溶胀比达到最小值,凝胶的溶胀-消溶胀动力学曲线呈“W”形,即该凝胶具有形状记忆功能。     

A Novel Synthesis of (-)-10-epi-α-Cyperone

The eudesmane derivative, (-)-10-epi-α-cyperone 1, is widely used as a chiral starting material for the synthesis of other fused-ring sesquiterpenes1. The first synthetic work was reported by Howe and co-workers via condensation of (+)-dihydrocarvone 2 with 1-diethylaminopentan-3-one methiodide in 32% yield2. Previously, our group reported the synthesis of compound 1 by treating ketone 2 with ethyl vinyl ketone (EVK) directly under different conditions1a, but the yields were not satisfacto…     

A new inorganic–organic hybrid compound constructed from polyoxoanions and rare earth coordination complexes

A new chainlike polymer, Na[Ce(dipic)(H₂O)₃]₂ [CrMo₆H₆O₂₄] · 13H₂O (H₂dipic = pyridine-2,6-dicarboxylic acid) (1), has been synthesized and characterized by elemental analysis; IR and XPS spectroscopy, TG analysis, and single-crystal X-ray diffraction. Compound (1) is built up of Anderon-type polyoxoanions as structural motifs and cerium–dipic coordination fragments as linkers to yield an unprecedented one-dimensional chain. Such chains are further in close contact forming a three-dimensional supramolecular framework with channels via extensive hydrogen-bonding interactions among polyoxoanions, dipic ligands and water molecules. Furthermore, the magnetic properties of compound (1) have been studied by measuring their magnetic susceptibility in the temperature range 2–300 K.     

Quantum chemical study on the abstraction reaction of alkylidenegermylene with oxirane and thiirane

The mechanisms of theion reaction of alkylidenegermylene with oxirane and thiirane have been characterized detail in using density functional theory, as well as ab initio method, including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface. Energies were calculated by CCSD(T)/6-311G(d)//B3LYP/6-311G(d,p) method for the involved conformations. The results show that the reaction pathways for both reactions consist of two ways: (1) the reactants can yield bent products (P1; P4) by syn-isomers; (2) the reactants can also yield three-membered products (P2; P5) by anti-isomers, which then further react with oxirane and thiirane to form the ultimate products (P3-1, P3-2; P6). Furthermore, a comparison with alkylidenecarbene, oxirane, and thiirane was done.     

SYNTHESIS AND CHARACTERIZATION OF N-（1-NAPHTHYL） SUCCINIMIDE

In this paper a modified two-step procedure for synthesis of N-（1-naphthyl） suecinimide （NaS） was developed, and the molecular structure of NaS was properly characterized by XRD, FT-IR, 1H NMR, DSC, etc. The results show that the melting point of our product is 159 ℃-160.5 ℃, and the characteristic infrared absorption band of carbonyl group splits into two peaks （1705cm^-3/1779cm^-3）, which are found to be quite different from the documented data （rap 147℃ -149℃; IR C=0-1700cm^-3）. Besides, photophysical spectroscopy was found to be powerful to study the molecular structure and crystal morphology of NaS compound.     

荧光共振能量转移测定牛血清白蛋白的研究

随着生物分析技术进入了后基因组时代,生命科学领域里的研究课题不断深入,DNA、RNA、蛋白质和其他生物大分子的检测技术发展十分迅速,生命科学中单分子分析技术不断揭示出生命活动的客观规律.相关的新的分析方法和仪器不断取得进展,成为生命科学的前沿领域.