Protein Interactome Analysis for Countering Pathogen Drug Resistance

Drug-resistant varieties of pathogens are now a recognized global threat. Insights into the routes for drug resistance in these pathogens are critical for developing more effective antibacterial drugs. A systems-level analysis of the genes, proteins, and interactions involved is an important step to gaining such insights. This paper discusses some of the computational challenges that must be surmounted to enable such an analysis; viz., unreliability of bacterial interactome maps, paucity of bacterial intera...     

Unexpected products of the allyldiethylamine hydroformylation homogeneously catalyzed by rhodium complexes

Attempts to carry out the hydroformylation of allyldiethylamine homogeneously catalyzed by rhodium complexes led to unexpected formation of N,N,N,N-tetraethyl-1,4-diaminobutane and 4-(diethylamino)-1-butanole as final products. The role of the catalyst on the product formation and the reaction mechanism are briefly discussed.     

Adsorption of organic molecules from aqueous solutions on carbon materials

Adsorption of organic molecules from dilute aqueous solutions on carbon materials is a complex interplay between non-electrostatic and electrostatic interactions. Non-electrostatic interactions are essentially due to dispersion and hydrophobic interactions, whereas the electrostatic or coulombic interactions appear with electrolytes when they are ionized at the experimental conditions used. Both interactions depend on the characteristics of the adsorbent and the adsorptive and the solution chemistry. Among them the carbon surface chemistry has a great influence on both electrostatic and non-electrostatic interactions, and can be considered one of the main factors in the adsorption mechanism from dilute aqueous solutions. In this paper the current knowledge about the fundamental factors that control the adsorption process from aqueous phase will be presented.     

2,6-吡啶基二甲醛双缩(β-巯基乙胺)及其过渡金属配合物的合成

合成了一种新的含硫席夫碱 2 ,6-吡啶基二甲醛双缩 (β-巯基乙胺 ) (H2 L)及其 Cu( )、Cd( )和 Hg( )的配合物 ,并经元素分析、摩尔电导、IR和 1 HNMR谱表征 ,确定了它们的组成和结构     

配合物[Cd（phen）2O2]的结构及其与脱氧核糖核酸（DNA）的相互作用

合成一种新的镉配合物[Cd（phen）2O2]（其中phen：1,10-菲哆啉）,并用X射线单晶衍射仪确定配合物的晶体结构,用荧光光谱研究该配合物与脱氧核糖核酸HC-DNA（Hela细胞DNA）的作用规律,用凝胶电泳法研究该配合物对pBR322-DNA的切割作用,从插入方式角度讨论配合物与DNA相互作用机理。     

基于模块度优化的蛋白质网络集团探测与分析

探测蛋白质相互作用网络中的功能模块对于理解生物系统的组织和功能具有重要的意义。目前,普遍的做法是将蛋白质相互作用网络表示成一个图,利用各种图聚类算法来挖掘功能模块。本文采用了基于模块度优化的图聚类算法来探测蛋白质相互作用网络中的集团,从具有2617个节点11855个相互作用的酵母蛋白相互作用网络中探测出68个集团。对于得到的集团,首先从拓扑结构的角度验证其的确是内部连接稠密的子图,然后分析了MIPS数据库中ComplexCat提供的已知的蛋白质复合体与这些集团的重叠情况,发现很多蛋白质复合体完全包含在某些集团中,最后使用超几何聚集分布的P值来分析一个集团对某个特定功能的富集程度,并根据最小的P值对应的功能来注释该集团的主要功能,发现集团中大部分的蛋白质具有相同的功能。研究结果表明,该方法探测的集团具有重要的生物学功能意义。     

Support and precursor effects on the preparation of new heterogenized Pt/Sn catalysts for the selective hydroformylation of 1-pentene

New heterogenized Pt/Sn catalysts selective for the hydroformylation of 1-pentene have been synthesized. The complex cis-[PtCl₂(PPh₃)₂] and the SnCl₂.2H₂O or SnC₂O₄ precursors have been anchored on silica-, magnesia- and alumina-carriers. X-ray photoelectron spectroscopy was used to determine the surface composition and the nature of the anchored species. The hydroformylation activity was found to depend on the type of support and tin precursor used. Only the silica supported catalysts were active in the hydroformylation reaction. Samples prepared from SnCl₂-2H₂O were 200-fold more active than those prepared from SnC₂O₄. Selectivity ton-hexanal of the silica-supported catalyst prepared from SnCl₂-2H₂O was as high as 94.4% at 39.2% conversion of 1-pentene.     

The electroactive species in the catalysis of cyclohexadiene to benzene by Rh2(TM4) 4 +2 (TM4=2,5-diisocyano-2,5-dimethylhexane)

Upon further investigation of the recently reported electrocatalytic oxidation of 1,4-cyclohexadiene to benzene by Rh₂(TM4) ₄ ⁺² (TM4=2,5-diisocyano-2,5-dimethylhexane), we have obtained data which strongly implicates the 2e^– oxidized d⁷-d⁷ complex as the electroactive species. This contrasts with the original report which suggested that the le^– oxidized d⁷-d⁸ radical acted as the key species via hydrogen atom abstraction from 1,4-cyclohexadiene. A possible mechanism for the catalysis is proposed.     

Electroluminescence of a device based on europium β-diketonate with phosphine oxide complex

Rare earth (RE) ions have spectroscopic characteristics to emit light in narrow lines, which makes RE complexes with organic ligands candidates for full color OLED (Organic Light Emitting Diode) applications. In particular, β-diketone rare earth (RE³⁺) complexes show high fluorescence emission efficiency due to the high absorption coefficient of the β-diketone and energy transfer to the central ion. In this work, the fabrication and the electroluminescent properties of devices containing a double and triple-layer OLED using a new β-diketone complex, [Eu(bmdm)₃(tppo)₂], as transporting and emitting layers are compared and discussed. The double and triple-layer devices based on this complex present the following configurations respectively: device 1: ITO/TPD (40 nm)/[Eu(bmdm)₃(tppo)₂] (40 nm)/Al (150 nm); device 2: ITO/TPD (40 nm)/[Eu(bmdm)₃(tppo)₂] (40 nm)/Alq₃ (20 nm)/Al (150 nm) and device 3: ITO/TPD (40 nm)/bmdm-ligand (40 nm)/Al (150 nm), were TPD is (N,N′-diphenyl-N,N′-bis(3-methylphenyl)-1,1-biphenil-4,4-diamine) and bmdm is butyl methoxy-dibenzoyl-methane. All the films were deposited by thermal evaporation carried out in a high vacuum system. These devices exhibit high intensity photo- (PL) and electro-luminescent (EL) emission. Electroluminescence spectra show emission from Eu³⁺ ions attributed to the ⁵D₀ to ⁷F_J (J = 0, 1, 2, 3 and 4) transitions with the hypersensitive ⁵D₀ → ⁷F₂ transition (around 612 nm) as the most prominent one. Moreover, a transition from ⁵D₁ to ⁷F₁ is also observed around 538 nm. The OLED light emission was almost linear with the current density. The EL CIE chromaticity coordinates (X = 0.66 and Y = 0.33) show the dominant wavelength, λ_d = 609 nm, and the color gamut achieved by this device is 0.99 in the CIE color space.     

新型多核苊二亚胺镍配合物复合负载催化剂催化乙烯聚合

制备了两种多核苊二亚胺镍配合物N imL1C l2m和N imL2C l2m,并将其负载于M gC l2和S iO2上制备复合载体催化剂,与通用烷基铝组成新的催化体系催化乙烯聚合。研究结果表明,在A lE t2C l为助催化剂的条件下,两种多核苊二亚胺镍配合物能高效催化乙烯进行聚合,制得不同支链的各种支化聚乙烯;聚合条件对乙烯聚合活性和产物性能有较大的影响。制得产物的支链使聚乙烯的熔融峰变宽,并且支化度越高,熔融峰越宽。