Solvent effect in polymer analysis by MALDI-TOF mass spectrometry

Solvent effect is one of the important factors in sample preparation which may affect matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectra of synthetic polymers. MALDI imaging, a useful imaging tool for discovering biomarkers in tissues, is applied here for better comprehension of solvent effect in polymer analysis by MALDI-TOF mass spectrometry. Nylon-6 was chosen as a model polymer for the study of solvent effect. Its MALDI mass spectra in different solvents were performed. MALDI imaging analysis was performed for studying the incorporation of analytes into matrix crystals in different solvent combinations. Specifically, the colocalization of matrix and analyte was obtained through Pearson’s correlation (PC) coefficient analysis of their MALDI images. The results demonstrated that satisfactory spectra were obtained in higher PC value conditions. PC decreased along with an increase in the ratio of poor solvent, which suggested that we should minimize the poor solvent ratio to obtain better MALDI spectra.     

Rasagiline-encapsulated chitosan-coated PLGA nanoparticles targeted to the brain in the treatment of parkinson's disease

The aim of this study was to investigate the brain targeting potential of rasagiline-encapsulated chitosan-coated PLGA nanoparticles (RSG-CS-PLGA-NPs) delivered intranasally into the brain. Chitosan-coated PLGA nanoparticles (RSG-CS-PLGA-NPs) were developed through double emulsification-solvent evaporation technique. RSG-CS-PLGA-NPs were characterized for particle size, zeta potential, size distribution, encapsulation efficiency, and in vitro drug release. The mean particle size, polydispersity index, and encapsulation efficiency were found to be 122.38?±?3.64, 0.212?±?0.009, and 75.83?±?3.76, respectively. High-performance liquid chromatography–mass spectroscopy and mass spectroscopy study showed a significantly high mucoadhesive potential of RSG-CS-PLGA-NPs and least for conventional and homogenized nanoformulation. Pharmacokinetic results of RSG-CS-PLGA-NPs in Wistar rat brain and plasma showed a significantly high (**p?<?0.005) AUC_0-24 and amplified C_max over intravenous treatment group. Finally, the investigation demonstrated that intranasal delivery of mucoadhesive nanocarrier showed significant enhancement of bioavailability in brain, after administration of the RSG-CS-PLGA-NPs which could be a substantial achievement of direct nose to brain targeting in Parkinson’s disease therapy and related brain disorders.     

Solubility prediction of deferiprone in N-methyl-2-pyrrolidone + ethanol mixtures at various temperatures using a minimum number of experimental data

Experimental solubility of deferiprone (DFP) in N-methyl-2-pyrrolidone (NMP) + ethanol (EtOH) mixtures at 293.2, 298.2, 303.2 and 308.2 K was determined and mathematically represented using various models. The trained versions of the van’t Hoff equation, its combined version with log-linear model, Jouyban–Acree model and a combination of van’t Hoff + Jouyban–Acree model were reported to simulate DFP solubility in the binary mixture compositions at various temperatures. The mean percentage deviation (MPD) was used as an accuracy criterion. The obtained overall MPDs for back-calculated and predicted solubility of DFP in NMP + EtOH mixtures varied from 1.1% to 3.2% and 2.6% to 6.6%, respectively. Some of apparent thermodynamic quantities for the dissolution processes of DFP are also reported.     

Solvent-free synthesis of dibenzo[b,j][1,10]phenanthroline derivatives using Eaton’s reagent as catalyst

A new class of dibenzo[b,j][1,10]phenanthrolines has been prepared. The synthon acridones were achieved in very good yield by a one-pot reaction of 2-amino-5-chloro or 2′-chloro/flouro-substituted benzophenones with 1,2-cyclohexanedione in the presence of freshly prepared Eaton’s reagent (phosphorus pentoxide–methanesulfonic acid) without solvent, through Friedländer synthesis. Then these intermediates were reacted with 2-amino-3,5-dibromobenzaldehyde to afford 1,3-dibromo-10-chloro-8-aryl-6,7-dihydrodibenzo[b,j][1,10]phenanthroline. Also an one-pot reaction between 2?mol of 2-amino-5-chloro aryl benzophenones with 1?mol of 1,2-cyclohexanedione to get 3,10-dichloro-5,8-diaryl-6,7-dihydrodibenzo[b,j][1,10]phenanthroline has also been reported. The newly synthesized structures of the compounds were deduced by spectroscopic techniques.     

采用子带二值加权累积的经验格林函数提取

提出一种采用子带二值加权累积的海洋环境噪声互相关函数(NCF)提取经验格林函数(EGF)方法.首先将每一快拍NCF在频域划分为多个子带,每个子带内根据"累积后提取的EGF信噪比增加"的准则,确定各快拍NCF的加权系数为0或1,将各子带的加权累积结果谱白化后在频域拼接,再反傅里叶变换得到时域EGF.子带二值加权累积方法实...     

Residue integrals and Waring’s formulas for algebraic or even transcendental systems

The present article is focused on the study of a special class of systems of non-linear transcendental equations for which classical algebraic and symbolic methods are inapplicable. For the purpose of study of such systems we develop a method for computing residue integrals with integration over certain cycles. We describe conditions under which the mentioned residue integrals coincide with power sums of the inverses to the roots of a system of equations (i.e. multidimensional Waring’s formulas). Based on this, we develop an algorithm that computes such power sums without computing the roots. As an application of the suggested method, we consider a problem of finding sums of multi-variable number series.     

二维轴对称图象高阶胡氏不变矩快速算法的改进

提出了基于二维轴对称性目标图象矩快速算法的实用化改进方案.算法实用化改进是通过两个命题的证明实现的.一是通过轴对称目标图象质心在对称轴上的命题证明,实现了将二维轴对称图象矩快速算法用于轴对称性图象中心矩的计算;二是通过目标图象以坐标系中任意两点为圆心,旋转相同角度,结果图象具有平移性的命题证明,实现了算法用于对旋转不同角度的对称目标图象的中心矩的计算改进.在此基础上,完成了二维轴对称目标图象高阶胡氏不变矩实用化快速算法的实现.实验证明,该算法具有较好的实时性能,且具有较小的引入误差.     

First-principles modelling of scanning tunneling microscopy using non-equilibrium Green’s functions

The investigation of electron transport processes in nano-scale architectures plays a crucial role in the development of surface chemistry and nano-technology. Experimentally, an important driving force within this research area has been the concurrent refinements of scanning tunneling microscopy (STM) techniques. The theoretical treatment of the STM operation has traditionally been based on the Bardeen and Tersoff–Hamann methods which take as input the single-particle wave functions and eigenvalues obtained from finite cluster or slabs models of the surface-tip interface. Here, we present a novel STM simulation scheme based on non-equilibrium Green’s functions (NEGF) and Wannier functions which is both accurate and very efficient. The main novelty of the scheme compared to the Bardeen and Tersoff–Hamann approaches is that the coupling to the infinite (macroscopic) electrodes is taken into account. As an illustrating example we apply the NEGF-STM method to the Si(001)-(2×1):H surface with sub-surface P doping and discuss the results in comparison to the Bardeen and Tersoff–Hamann methods.     

Inequalities for Humbert functions

This paper is motivated by an open problem of Luke’s theorem. We consider the problem of developing a unified point of view on the theory of inequalities of Humbert functions and of their general ratios are obtained. Some particular cases and refinements are given. Finally, we obtain some important results involving inequalities of Bessel and Whittaker’s functions as applications.     

基于不均衡数据的小企业信用风险评价

小企业信用风险评价既是银行风险管理问题,又事关经济社会稳定。针对小企业贷款实践中,违约样本远少于非违约样本、且违约客户误判对银行影响较大的现实,采用不均衡支持向量机对小企业信用风险评价指标进行赋权,进而构建了能有效区分违约客户、非违约客户的评价模型。根据有无特定评价指标、特定评价指标数值变化对贷款小企业违约状态的影响程度赋权;反映了对违约状态影响越大、评价指标权重越大的赋权思路。将违约样本正确识别率、违约样本的准确率与查全率等因素作为支持向量机赋权模型中客户识别率的度量标准,改变了样本数据不均衡所导致的样本总体精度很高、违约样本精度反而不高的现象。研究结果表明:行业景气指数、资本固定化比率、净利润现金含量、恩格尔系数、营业利润率等评价指标对小企业信用风险的影响较大。