Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

Crowding as an Agronomic Factor Determining the Development of Plants and the Productivity of Linseed (Linum usitatissimum L.)

ABSTRACT

Nine sowing densities of linseed were compared in a two-year experiment. Self-regulation of the density of a linseed stand resulted in a differentiated branching of the plants. The number of capsules on a linseed shoot, as well as seeds in the capsule, and the number of seeds from the shoot were highly varied from year to year, and there is even a stronger differentiation in the weight of 1000 seeds. Linear relationships were noted between the mass of seeds from the linseed plant and the number of capsules. The yield of linseed was affected by both factors. An increasing sowing rate reduced the seed yield from the shoot and the plant. At lower seeding rates, the lateral shoots contributed in the seeds yield of the plant to a higher degree compared to the main ones.     

Effects of different carbon sources and C/N values on nonvolatile taste components of Pleurotus eryngii

Pleurotus eryngii, the second largest industrial cultivation mushroom in China, is usually cultivated on substrates mainly consisting of sawdust and corncob. In this study, experiments were performed to determine the effects of different carbon sources and C/N values on nonvolatile taste components of P. eryngii. The effects of different carbon sources on nonvolatile taste components levels revealed that sawdust was beneficial to high levels of crude protein, amino acids, 5′‐nucleotides and equivalent umami concentration, while corncob was beneficial to high contents of carbohydrate, polysaccharides and trehalose. At the similar C/N values, relatively higher sawdust content was beneficial to umami amino acid production, while relatively higher corncob content was beneficial to high contents of carbohydrate, polysaccharides and mannitol. Higher C/N value was beneficial to high levels of crude protein, amino acids, 5′‐nucleotides and equivalent umami concentration, while lower C/N value was beneficial to high contents of carbohydrate, polysaccharides and trehalose. These results provided information for P. eryngii fruit body industrial cultivation to obtain specific nonvolatile taste components with high levels.     

一种宽带矢量调制器的设计及其应用

矢量调制器是一种可以同时控制微波信号幅度和相位的器件。本文介绍了一种基于新型微带定向耦合器的宽带矢量调制器。新的耦合器结构克服了传统微带耦合器耦合度低、方向性差的问题,也不需要Lange耦合器复杂的加工工艺,在平衡放大器、移相器和衰减器等场合具有广泛的应用。其次,研究了用串联电感对衰减器中PIN二极管的寄生参数进行补偿的一种简单方法,以改善衰减器衰减量变化时的相位性能。该方法原理简单,可在一定带宽内替代复杂的平衡结构,并给出相近的性能。最后给出了矢量调制器的测试结果和它在自适应天线阵等实际系统中的应用情况,并讨论了用于提高载波和边带抑制、满足高精度要求的校准方法。     

On the linear correlation between microhardness and mechanical properties in polar polymers and blends

The tensile elastic modulus (E), yield stress (σ_Y) and microhardness (MH) of neat and binary and ternary blends of glassy semicrystalline ethylene–vinyl alcohol copolymer (EVOH), a glassy amorphous polyamide and a semicrystalline nylon‐containing ionomer covering a broad range of properties were examined. The tests were carried out on dry and water‐equilibrated samples to produce stiffer and softer materials, respectively. From the results, more accurate linear correlations were found to describe adequately the microhardness, modulus and yield stress of these strongly self‐associated polymers through hydrogen bonding. Copyright © 2003 Society of Chemical Industry     

Revised Estimates of Dimension and Exercise Variance Components in Assessment Center Postexercise Dimension Ratings.

The authors reanalyzed assessment center (AC) multitrait-multimethod (MTMM) matrices containing correlations among postexercise dimension ratings (PEDRs) reported by F. Lievens and J. M. Conway (2001). Unlike F. Lievens and J. M. Conway, who used a correlated dimension-correlated uniqueness model, we used a different set of confirmatory-factor-analysis-based models (1-dimension-correlated Exercise and 1-dimension-correlated uniqueness models) to estimate dimension and exercise variance components in AC PEDRs. Results of reanalyses suggest that, consistent with previous narrative reviews, exercise variance components dominate over dimension variance components after all. Implications for AC construct validity and possible redirections of research on the validity of ACs are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Finite element analysis of femoral components paper III – hip joints

Finite element analysis of the hip implant is conducted in this paper for representative femoral cross-section geometries and development of stress in the presence of bone cement is elucidated. Differences in cement stresses generated by varying implant cross-sections were compared with conventional features derived from representative implants. The analysis was performed under idealized implant assemblies by constraining the implant movement in the assembly. The cross-sections and implant geometries used are generic and intended to be representative of available geometries. This paper is a part of student research projects, prepared from a series of activities in biomedical implant research currently underway at Ohio Northern and Arkansas Tech Universities.     

山区长输气管线的曲线测设

该文介绍了在山区长输气管线测量中 ,管线的折点桩之间大部分不通视且部分点上空有障碍物 ,采用GPS不能施测坐标时 ,结合山区的自然地理条件 ,采用全站仪间接施测折点水平角 ,极坐标法测设曲线以及跨越障碍物测设曲线的内容和方法 ,可在一定精度要求下应用     

Oleuropein Inhibits LDL Oxidation Induced by Cooking Oil Frying By-products and Platelet Aggregation Induced by Platelet-Activating Factor

Oleuropein, a polyphenolic glucoside, constituent of olive fruit and oil, has been previously shown to exhibit, in vitro, potent properties as a biological antioxidant. In the present paper, two new properties are demonstrated in vitro as well, concerning its vascular protection activity, against the atheromatic lesion formation and its blood antithrombotic effect. Firstly, it was found that the oxidation of low-density lipoproteins (LDL), induced by different quantities of total polar materials (TPM), was inhibited by 10 μ M (final concentration) of oleuropein, revealing approx. 50% protection. Secondly, platelet-rich human plasma aggregation, induced by either the platelet-activating factor or adenosine diphospate or arachidonic acid, was inhibited by oleuropein. The 10 μ M (final concentration) of oleuropein was proven to be the most effective among the tested concentrations against LDL oxidation, while an IC₅₀=0.41 mM was calculated for its inhibitory activity against platelet aggregation induced by 0.7 μ M platelet-activating factor.