Cetyltrimethylammonium Bromochromate: A New and Efficient Oxidant for Organic Substrates

Cetyltrimethylammonium bromochromate is a versatile reagent for the effective and selective oxidation of organic substrates, particularly for alcohols, under mild conditions.     

Enzyme-mediated enantioselective hydrolysis of soluble polymer-supported dendritic carbonates

The easy separation of optically active compounds from enzymatic kinetic resolution products by simple precipitation using poly(ethylene glycol) (PEG)-supported dendritic carbonates is disclosed. The water-soluble polymer-supported substrates were prepared by immobilization of (±)-1-phenylethanol onto a monomethoxy PEG (MPEG; av MW 5000) bearing a dendritic spacer through a carbonate linker. The enantioselective hydrolysis of the dendritic substrates of the 1st and 2nd generations using lipase from porcine pancreas (PPL; Type II, Sigma) smoothly proceeded, and a multimolecule of the corresponding (R)-alcohols was released from one molecule of the racemic substrates. The E values of the reactions at 0 °C in a mixed solvent (hexane/buffer = 9/1) were up to >200.     

基于合作博弈的非常规突发极端洪水灾害风险应急金融服务供应链协调

根据非常规突发极端洪水灾害风险的特点,从服务供应链视角,提出非常规突发极端洪水灾害风险应急金融服务供应链的管理框架,分析此供应链的结构和内涵.分析此应急金融服务供应链中各参与人的利益关系式与和谐阈值,利用合作博弈理论,建立基于传统Shapley值合作博弈模型,有效解决应急金融服务供应链中成员经营性政府、保险公司和公众三者之间的协调问题.     

Highly ordered periodic array of metallic nanodots fabricated through template‐assisted nanopatterning and its use for surface‐enhanced Raman scattering spectroscopy of flexible crystalline‐silicon nanomembranes

We report on the fabrication of highly uniform periodic arrays of metallic nanodots formed on glass substrates through a facile anodic aluminum oxide template‐assisted process and their use in selective surface‐enhanced Raman scattering spectroscopy to probe the structural properties of flexible crystalline‐silicon nanomembranes deposited on polymer substrates. A 14‐fold enhancement in Raman scattering was observed from the thin flexible silicon membranes deposited on polyethylene terephthalate substrates, which were used to probe the internal strains in the silicon nanomembrane as a function of the bending radius. Copyright © 2011 John Wiley & Sons, Ltd.     

CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates

The interaction of small organic molecules such as drugs, agrochemicals, and cosmetics with cytochrome P450 enzymes (CYPs) can lead to substantial changes in the bioavailability of active substances and hence consequences with respect to pharmacological efficacy and toxicity. Therefore, efficient means of predicting the interactions of small organic molecules with CYPs are of high importance to a host of different industries. In this work, we present a new set of machine learning models for the classification of xenobiotics into substrates and non-substrates of nine human CYP isozymes: CYPs 1A2, 2A6, 2B6, 2C8, 2C9, 2C19, 2D6, 2E1, and 3A4. The models are trained on an extended, high-quality collection of known substrates and non-substrates and have been subjected to thorough validation. Our results show that the models yield competitive performance and are favorable for the detection of CYP substrates. In particular, a new consensus model reached high performance, with Matthews correlation coefficients (MCCs) between 0.45 (CYP2C8) and 0.85 (CYP3A4), although at the cost of coverage. The best models presented in this work are accessible free of charge via the “CYPstrate” module of the New E-Resource for Drug Discovery (NERDD).     

Photocatalytic TiO2 thin films deposited on flexible substrates by radio frequency (RF) reactive magnetron sputtering

Titanium dioxide (TiO₂) thin films were deposited on flexible polycarbonate (PC) substrates by radio frequency (RF) reactive magnetron sputtering. The target was metallic titanium, argon was the plasma gas and oxygen was the reactive gas. Taguchi’s method, which uses an L₉ (3⁴) orthogonal array, signal-to-noise ratio and analysis of variance (ANOVA), was employed to study the performance of the deposition process. The effects of the deposition parameters on the structure, morphology and photocatalytic performance of the TiO₂ films were analyzed using scanning electron microscopy (SEM), X-ray diffraction, and UV-vis-NIR spectroscopy. Experiments varied RF power (50, 100, 150 W), deposition time (2, 3, 4 h), O₂/(Ar + O₂) argon/oxygen ratios (40, 60, 80%) and substrate temperatures (room, 80, 120 °C), to optimize the photoinduced decomposition of methylene blue (MB). The experimental results illustrate the effectiveness of this approach.     

离轴生长的MgB_2超导薄膜的研究

通过混合物理化学沉积法(hybrid physical-chemical vapor deposition,简称为HPCVD),我们在多种单晶衬底上制备出了MgB2超导薄膜.经测量发现MgB2薄膜在6H-SiC、c-Al2O3、MgO(111)和YSZ(111)衬底上基本是沿c轴外延生长的,形成单晶薄膜;在MgO(211)、MgO(100)和钇稳定氧化锆(YSZ)(110)衬底上,MgB2晶粒的生长表现出明显的择优取向生长方式,并与晶格常数匹配关系所预言的结果一致。     

Unconventional geometric phase gate and multiqubit entanglement for hot ions with a frequency-modulated field

We present an alternative scheme for implementing the unconventional geometric two-qubit phase gate and prepar-ing multiqubit entanglement by using a frequency-modulated laser field to simultaneously illuminate all ions.Selecting the index of modulation yields selective mechanisms for coupling and decoupling between the internal and the external states of the ions.By the selective mechanisms,we obtain the unconventional geometric two-qubit phase gate,multipar-ticle Greenberger-Horne-Zeilinger states and highly entangled cluster states.Our scheme is insensitive to the thermal motion of the ions.     

Relative reactivities of halogen-substituted substrates (R-Br,R-C1) toward the halophilic attack by a carbanion

Relative reactivities of bromine-substituted substrates (R-Br) or chlorine-substituted substrates (R-CI) toward bromophilic or chlorophilic attack by a carbanion have been evaluated by the intermolecular competition kinetics. Relative reactivity orders are CF3CFBr2 >CF3CBr3≥CBr4 > CHBr3 > CF3CFBrCF2Br > CF2Br2 > BrCF2CF2Br > BrCH2CO2Et≥ BrCF2CFHBr > CH2Br2 > BrCH2CH2Br, and CI3CNO2 > CI3CCN > CI3CCOPh > cyclo-C5CI6> CI3CCOCI > CCI3CF2CI > CCI3CF3 ≥ CCI4 > CCI3CCI3 ≥ CCI3(CF2)2CI > CI3CCOCCI3 > CCI3(CF2)6CI > CI3CCO2Et > CI3CF > CI3CPh>CI3CCH2O2CCH3.