A study for quality evaluation of Taxilli Herba from different hosts based on fingerprint-activity relationship modeling and multivariate statistical analysis

In this study, a fingerprint-activity relationship modeling between chemical fingerprints and antirheumatic activity was established, and multivariate statistical analysis was used to evaluate the quality of Taxilli Herba (TH) from different hosts. Characteristic fingerprints of 20 batches of TH samples were generated by high-performance liquid chromatography coupled with triple quadrupole-time of flight tandem mass spectrometry (HPLC-Triple TOF-MS/MS), and the similarity analysis was calculated based on thirteen common characteristic peaks by hierarchical clustering analysis (HCA). Subsequently, nine efficacy markers were discovered by combining fingerprints and antirheumatic activity through grey correlation analysis (GCA) and bivariate correlation analysis (BCA). Meanwhile, the content of 5 constituents in 9 markers was determined by high-performance liquid chromatography coupled with triple quadrupole-linear ion trap tandem mass spectrometry (HPLC-QTRAP-MS/MS). The comprehensive quality of TH was assessed using multivariate statistical analysis, including principal components analysis (PCA) and technique for order preference by similarity to ideal solution (TOPSIS). The results showed that a high dose of TH extract could markedly ameliorate arthritis damage compared to other doses, with flavonoids playing an important role in the antirheumatic activity. The comprehensive quality of samples from Morus alba L. (SS) was superior to those from Liquidambar formosana Hance (FXS). The present study will demonstrate the markers associated with efficacy, and provide an applicable strategy for more comprehensive quality control and evaluation of TH.     

On solving a D.C. programming problem by a sequence of linear programs

We are dealing with a numerical method for solving the problem of minimizing a difference of two convex functions (a d.c. function) over a closed convex set in ⁿ . This algorithm combines a new prismatic branch and bound technique with polyhedral outer approximation in such a way that only linear programming problems have to be solved.Parts of this research were accomplished while the third author was visiting the University of Trier, Germany, as a fellow of the Alexander von Humboldt foundation.     

On the role of theΔ -isobar in deep inelastic scattering on the deuteron

The role of the nuclear structure effects, viz. the boundness of nucleons and-isobar components, in the deep inelastic scattering of leptons on the deuteron is considered. It is shown that small admixture of the-isobar configurations to the deuteron wave function may lead to significant effects in the spin structure functions of the deuteronb ₁ ^D andg ₁ ^D (x): up to 4% in g ₁ ^D (x) dx and up to 10% ing ₁ ^D (x) at smallx.One of the authors (A.U.) thanks Prof. F.C. Khanna for helpful discussions and for kind offering the information used in our calculations.     

2,2’-二氨基苯氧基二硫化物的电极过程动力学研究

利用循环伏安法、线性伏安法及旋转圆盘电极技术，研究了2,2’-二氨基苯氧基二硫化物(DAPOD)在含有0.1 mol•L－1 LiClO4电解质的乙腈/四氢呋喃有机溶液中，铂、金、玻碳及石墨电极上的电化学行为.伏安结果表明DAPOD中的二硫键与硫巯基之间的氧化还原反应属动力学不可逆过程，这种在室温下表现出的电化学反应不可逆性是有机二硫化物普遍存在的不足，必须通过分子内或分子间的电催化来改善其可逆性能.旋转圆盘电极测试结果显示， DAPOD的阴极还原反应级数为0.5，阳极氧化反应级数为1.由此推知DAPOD电还原属两电子转移反应，分两步完成：第一步为平衡的化学反应步骤；第二步为电子转移步骤，属决速步.同时还测定了DAPOD的阴极与阳极传递系数、交换电流、平衡电势及标准速率常数等相关的动力学常数.通过比较铂、金、玻碳及石墨四种不同材料电极对DAPOD的电极过程的影响,发现石墨对DAPOD的还原过程具有电催化作用.     

A two-step supercritical fluid extraction of polycyclic aromatic hydrocarbons from roadside soil samples

A two-step procedure for the supercritical fluid extraction (SFE) of polycyclic aromatic hydrocarbons from soil samples was developed. The procedure consists of a static supercritical fluid treatment in a closed extraction cell at a high temperature (T=250 or 340degreesC for 20 min) and an SFE with a solvent trapping. During the static phase, the sample is exposed to a supercritical organic solvent (methanol, toluene, dichloromethane, ACN, acetone, and hexane). The solvent penetrates particles of the matrix to substitute strongly bonded molecules and dissolves the analytes in the supercritical phase. At ambient temperature, supercritical fluids became liquid and lost their solvation abilities. Most of the analytes condense on the surface of the particles or on the extraction cell walls without forming strong bonds or penetrating deep into the matrix. Thus, the pretreatment liberates the analytes and they behave similar to those in freshly spiked samples. The common SFE with toluene-modified CO2 as an extraction fluid follows the static phase. With the use of the most suitable extraction phases (toluene, ACN), the extraction efficiency of the combined procedure is much higher (approximately100%). The results of the combined procedure are compared to the SFE procedure of the same untreated sample (difference less than 5%) and to the Soxhlet extraction. The extracts were analyzed using a GC with the flame ionization detection.     

Synthesis of Derivatives of Pyrido[4,3‐d]pyrimidin‐4(3H)‐one via an Iminophosphorane

A series of new, 2‐substituted 3‐aryl‐8,9,10,11‐tetrahydro‐5‐methyl[1]benzothieno[3′,2′ : 5,6]pyrido[4,3‐d]pyrimidin‐4(3H)‐ones, compounds 5a – q , were designed and synthesized via the aza‐Wittig reaction as the key step. The iminophosphorane 1 reacted with phenyl isocyanate (or 4‐chlorophenyl isocyanate) to the carbodiimide 4 , which was cyclized to 5 upon addition of different amines, EtOH, or phenols in the presence of a catalytic amount of EtONa or K₂CO₃ (Schemes 1 and 2). The structures of compounds 5 were confirmed by IR, ¹H‐ and ¹³C‐NMR, EI‐MS, elemental analyses, and, in the case of 5l , by single‐crystal X‐ray diffraction (Figure).     

Cramer’s rule over residue class rings of Bézout domains

Cramer’s rule over residue class rings of Bézout domains is given.     

Efficient organic photovoltaic cells based on thiazolothiazole and benzodithiophene copolymers with π‐conjugated bridges

New donor–π–acceptor (D–π–A) type conjugated copolymers, poly[(4,8‐bis((2‐hexyldecyl)oxy)benzo[1,2‐b:4,5‐b′]dithiophene)‐alt‐(2,5‐bis(4‐octylthiophen‐2‐yl)thiazolo[5,4‐d]thiazole)] (PBDT‐tTz), and poly[(4,8‐bis((2‐hexyldecyl)oxy)benzo[1,2‐b:4,5‐b′]dithiophene)‐alt‐(2,5‐bis(6‐octylthieno[3,2‐b]thiophen‐2‐yl)thiazolo[5,4‐d]thiazole)] (PBDT‐ttTz) were synthesized and characterized with the aim of investigating their potential applicability to organic photovoltaic active materials. While copolymer PBDT‐tTz showed a zigzagged non‐linear structure by thiophene π‐bridges, PBDT‐ttTz had a linear molecular structure with thieno[3,2‐b]thiophene π‐bridges. The optical, electrochemical, morphological, and photovoltaic properties of PBDT‐tTz and PBDT‐ttTz were systematically investigated. Furthermore, bulk heterojunction photovoltaic devices were fabricated by using the synthesized polymers as p‐type donors and [6,6]‐phenyl‐C₇₁‐butyric acid methyl ester as an n‐type acceptor. PBDT‐ttTz showed a high power conversion efficiency (PCE) of 5.21% as a result of the extended conjugation arising from the thienothiophene π‐bridges and enhanced molecular ordering in the film state, while PBDT‐tTz showed a relatively lower PCE of 2.92% under AM 1.5 G illumination (100 mW/cm²). © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 1978–1988     

Effect of external pressure on the Kβ/Kα X-ray intensity ratios of 3d metals

The occupation numbers of the 3d transition metals are calculated as a function of pressure by means of the linear muffin-tin-orbital method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios (R) to estimate the variation of the intensity ratios of 3d metals with pressure. It is found that R decreases with pressure for the early 3d metals whereas it increases for the heavier 3d transition metals.     

Mixed mode fracture of a piezoelectric–piezomagnetic bi-layer structure with two un-coaxial cracks parallel to the interface and each in a layer

The purpose of the present work is to study the mixed mode fracture of a piezoelectric–piezomagnetic composite with two un-coaxial cracks parallel to the interface and each in a layer. Methods of generalized dislocation simulation, Green’s function, Cauchy singular integral equation and Lobatto–Chebyshev collocation are combined together to get the numerical results of mechanical strain energy release rate (MSERR). Three kinds of effects are revealed by parametric studies, i.e., the free-surface effect, the shielding effect and the interference effect, and they are used to interpret the characteristics of COD and MSERR curves. In addition, the effects of shear loading, magnetic loading and electric loading on MSERR are also disclosed, respectively, by varying the corresponding loading factor.