Error removal by orthogonal subtraction (EROS): a customised pre‐treatment for spectroscopic data

In some applications of diffuse reflectance spectroscopy there may be substantial variability between the spectra from replicate measurements of what is nominally the same sample. A method called error reduction by orthogonal subtraction (EROS) is proposed to ameliorate the effects of this. The first step is to use principal component analysis (PCA) to identify the structure in the variability of replicate measurements. This is followed by subtraction of the modelled effects from the original spectral data matrix X by projection onto the subspace orthogonal to factors derived from the PCA. An application to the clinical diagnosis of colon lesions is presented, in which pre‐treatment of spectra using the proposed method is successful in reducing the complexity and increasing both the accuracy and interpretability of the subsequent classification model. Copyright © 2008 John Wiley & Sons, Ltd.     

Chemistry of isocoumarins: synthesis and biological screenings of homalicine and dihydrohomalicine

Total synthesis and selected biological activities of naturally occurring homalicine and (dl)-dihydrohomalicine are described.     

A Series of Collaborations between Various Pharmaceutical Companies and Regulatory Authorities Concerning the Analysis of Biomolecules Using Capillary Electrophoresis: Additional Instruments/Buffer

An international project team (including members from US, Canada and UK) was formed from a number of interested biopharmaceutical companies and regulatory authorities to conduct a cross-organisation collaboration exercise. The results of the first comparison with eight different organisations that used instruments of the same equipment model, the same reagents, and the same methodology has been reported previously [1]. This report represents the addition of other instruments using a different run buffer. The relative migration times were different, as expected, prohibiting a direct comparison between companies. The within-organisation variability was low for both relative migration time (<0.34% RSD% for all companies save one) and the peak area (<5% RSD% for all companies save one) when measuring the purity of a representative IgG sample. The apparent molecular weight of bovine serum albumin was measured with good precision (less than 10% RSD% across all companies) to the theoretical value when all data is utilized (67.5 kDa compared to 66.4 kDa). For a representative IgG sample, the three main components, IgG Light Chain, IgG Non-glycosylated Heavy Chain, and IgG Heavy Chain, could not be separated, specifically the IgG Non-glycosylated Heavy Chain and IgG Heavy Chain. When the IgG Non-glycosylated Heavy Chain and IgG Heavy Chain were combined for all organisations, the fractional peak area for the IgG Light Chain and IgG Non-glycosylated Heavy Chain + IgG Heavy Chain peak also showed excellent agreement, with less than 7.5 and 3.5% RSD%, respectively. The value of this exercise is in demonstrating the reliability of CE for the determination of apparent size of biopharmaceutical proteins. This underpins the appropriate use of such CE data in support of regulatory submissions.

     

从可溶性单源分子前驱体采用溶胶凝胶法制备ZnO/TiO2 纳米复合物

合成了单源分子前驱体Cl₂TiZn(dmae)₄ (dmae为2-二甲基乙醇胺),并以乙醇为溶剂,加入等摩尔量的水对其进行可控水解得ZnO/TiO₂纳米复合凝胶,经pH=9沉淀,在200、400和600 oC 烧结得到不同的产物T₂₀₀、T₄₀₀、T₆₀₀. XRD分析表明未烧结产物为无定形粉末并随着烧结温度升高晶型改善. ZnO呈纤锌矿结构(六方晶系),TiO₂呈板钛矿型结构(正交). BET分析和扫描电镜表明颗粒的大小随着烧结温度的提高而增加. 红外光谱证明Zn-O和Ti-O的特有的振动频率,OH基团烧结后的产物中被去掉. 所有的样品都显示良好的光催化活性, 且T₆₀₀活性最高.     

Synthesis and Mesomorphic Properties of New Columnar Liquid Crystal Containing 1,3,5-triiminebenzene with Pendant 1,3,4-thiadiazole Group

A novel discotic liquid crystal series based on 1,3,5-benzenetrisazomethine derivatives with three pendant 2-amino-5-(4′-n-alkoxy)phenyl-1,3,4-thiadiazole has been synthesized, which is the first columnar molecules containing 1,3,4-thiadiazole moiety exhibiting a discotic liquid crystal. The molecular structure of compounds was confirmed by FT-IR, ¹H-NMR, and mass spectroscopy and elemental analysis. The electron excitation properties of these compounds were investigated by UV-vis absorption spectroscopy. Their liquid crystalline properties were studied by polarizing optical microscopy and differential scanning calorimetry. The formation of a columnar mesophase was found to be dependent on the number of methylene unit in alkoxy side chains.     

Quasi solid state dye-sensitized solar cells based on polyvinyl alcohol (PVA) electrolytes containing \mathbf{I}^{\mathbf{-}}/\mathbf{I}_{\mathbf{3}}^{\mathbf{-}} redox couple

Quasi solid state dye-sensitized solar cells (DSSCs) have been fabricated with electrolytes containing $\text{ I }^{-}/\text{ I }_{3}^{-}$ redox couple using 80 % hydrolyzed polyvinyl alcohol (PVA) doped with potassium iodide (KI) and a mixture of potassium iodide and tetrapropyl ammonium iodide ( $\text{ Pr }_{4}\text{ NI }$ ) salts. The quasi solid state gel polymer electrolytes were prepared using 1:1 ethylene carbonate (EC):propylene carbonate (PC) mixture. The solar cells have the structure of ITO/ $\text{ TiO }_{2}$ /N3-Dye/electrolyte/Pt/ITO. The conductivity of the electrolytes has been calculated from the bulk resistance value determined using the electrochemical impedance spectroscopy. The performance of the DSSCs has been studied by varying the concentration of the doping salts in the electrolyte and incident light intensity. The DSSC fabricated with the KI salt electrolyte containing 9.9 wt% PVA, 39.6 wt% EC, 39.6 wt% PC, 10.9 wt% KI $(+\text{ I }_{2})$ exhibited the best power conversion efficiency of 1.97 %. However, the DSSC with a double-salt electrolyte containing 9.9 wt% PVA: 39.6 wt% EC: 39.6 wt% PC: (6.5 wt% KI: 4.4 wt% $\text{ Pr }_{4}\text{ NI }$ ) ( $+\text{ I }_{2}$ ) exhibited a higher efficiency of 3.27% under $100 \text{ mW/cm }^{2}$ light intensity. The efficiency of this cell increased to 4.59 % under dimmer light of intensity of $54 \text{ mW/cm }^{2}$ .     

Iterative schemes for trifunction hemivariational inequalities

In this paper, we consider and study a new class of hemivariational inequalities, which is called trifunction hemivariational inequality. We suggest and analyze a class of iterative methods for solving trifunction hemivariational inequalities using the auxiliary principle technique. We prove that the convergence of these new methods either requires partially relaxed strongly monotonicity or pseudomonotonicity, which is a weaker condition than monotonicity. Results obtained in this paper include several new and known results as special cases.     

Facile one-pot synthesis of gold nanoparticles and their sensing protocol

This communication reports facile one pot synthesis of amoxicillin and sodium salt of amoxicillin stabilized gold nanoparticles (Au-NPs). Primarily the cyclic thioether linkage i.e. the thiozolidine ring of amoxicillin is utilized for sequestering Au(III). Fluorescence quenching of these clusters makes it an efficient protocol for sensing Cu(2+) at nano scale levels.     

Highly enantioselective Michael addition of 2-oxindoles to vinyl selenone in RTILs catalyzed by a Cinchona alkaloid-based thiourea

A highly enantioselective Michael addition of 2-oxindoles (1) to vinyl selenone (2) in RTILs catalyzed by a Cinchona alkaloid-based thiourea has been developed in high yields (80-91%) with excellent enantioselectivities (up to 95% ee).