Caged Thiophosphotyrosine Peptides

No Abstract     

The molecular mechanism of stabilization of proteins by TMAO and its ability to counteract the effects of urea

Trimethylamine n-oxide (TMAO) is a naturally occurring osmolyte that stabilizes proteins and offsets the destabilizing effects of urea. To investigate the molecular mechanism of these effects, we have studied the thermodynamics of interaction between TMAO and protein functional groups. The solubilities of a homologous series of cyclic dipeptides were measured by differential refractive index and the dissolution heats were determined calorimetrically as a function of TMAO concentration at 25 degrees C. The transfer free energy of the amide unit (-CONH-) from water to 1 M TMAO is large and positive, indicating an unfavorable interaction between the TMAO solution and the amide unit. This unfavorable interaction is enthalpic in origin. The interaction between TMAO and apolar groups is slightly favorable. The transfer free energy of apolar groups from water to TMAO consists of favorable enthalpic and unfavorable entropic contributions. This is in contrast to the contributions for the interaction between urea and apolar groups. Molecular dynamics simulations were performed to provide a structural framework for the interpretation of these results. The simulations show enhancement of water structure by TMAO in the form of a slight increase in the number of hydrogen bonds per water molecule, stronger water hydrogen bonds, and long-range spatial ordering of the solvent. These findings suggest that TMAO stabilizes proteins via enhancement of water structure, such that interactions with the amide unit are discouraged.     

New diphosphite ligands for enantioselective asymmetric hydroformylation

A series of new diphosphite ligands have been easily prepared from BINOL derivatives; moderate enantioselectivities (up to 80% ee) and excellent regioselectivities (b/l up to 98/2) have been achieved in the Rh-catalyzed asymmetric hydroformylation of vinyl acetate.     

Domain Adaptation with Data Uncertainty Measure Based on Evidence Theory

Domain adaptation aims to learn a classifier for a target domain task by using related labeled data from the source domain. Because source domain data and target domain task may be mismatched, there is an uncertainty of source domain data with respect to the target domain task. Ignoring the uncertainty may lead to models with unreliable and suboptimal classification results for the target domain task. However, most previous works focus on reducing the gap in data distribution between the source and target domains. They do not consider the uncertainty of source domain data about the target domain task and cannot apply the uncertainty to learn an adaptive classifier. Aimed at this problem, we revisit the domain adaptation from source domain data uncertainty based on evidence theory and thereby devise an adaptive classifier with the uncertainty measure. Based on evidence theory, we first design an evidence net to estimate the uncertainty of source domain data about the target domain task. Second, we design a general loss function with the uncertainty measure for the adaptive classifier and extend the loss function to support vector machine. Finally, numerical experiments on simulation datasets and real-world applications are given to comprehensively demonstrate the effectiveness of the adaptive classifier with the uncertainty measure.     

a—Si：H TFT电流—电压特性研究

本文发展了一种研究ａ－Ｓｉ：Ｈ ＴＦＴ电流－电压特性的新方法。基于局域态电荷密度解析统一模型，提出并深入分析了沟道区有效温度参数的概念，并由此推导出了ａ－Ｓｉ：Ｈ ＴＦＴ电流－电压特性的解析表达式。其理论值与实验值符合很好。该模型可用于ａ－Ｓｉ：Ｈ ＴＦＴ静态特性分析及其电路优化。     

工艺参数对马氏体不锈钢激光冲击区表面轮廓的影响

激光功率密度和搭接率对马氏体不锈钢的激光冲击区的表面轮廓有较大影响.激光功率密度从3.79 GW/cm2到7.25 GW/cm2,冲击区塑性变形程度随功率密度增大而增大,当激光功率密度为6.09 GW/cm2时,冲击区塑性变形程度适中,其残余应力平均值达-569.1 MPa.搭接率试验结果表明,搭接率为33%时,可获得较大面积无挤出的激光冲击区,无挤出区域的塑性均匀,变形深度波动幅度在2μm以内,而且此搭接率下冲击区挤出面积较小,分布具有规律,便于再次冲击以降低冲击区的表面波纹度.     

分布式光纤温度传感中喇曼散射的理论研究

光纤中喇曼散射理论的研究是分布式光纤温度传感重要的理论基础。文中首先介绍了喇曼散射，然后对传感光纤中的喇曼散射进行了全面的理论分析，这些分析为分布式光纤温度传感器的设计提供了有益参考。     

Nickel-catalyzed cross-electrophile allylation of vinyl bromides and the modification of anti-tumour natural medicine β-elemene

Herein, we present a facile and efficient allylation method via Ni-catalyzed cross-electrophile coupling of readily available allylic acetates with a variety of substituted alkenyl bromides using zinc as the terminal reductant. This Ni-catalyzed modular approach displays excellent functional group tolerance and a broad substrate scope, which the creation of a series of 1,4-dienes including several structurally complex natural products and pharmaceutical motifs. Moreover, the coupling strategy has the potential to realize enantiomeric control. The practicality of this transformation is demonstrated through the potent modification of the naturally antitumor active molecule β-elemene.

Herein, we present a facile and efficient allylation method via Ni-catalyzed cross-electrophile coupling of readily available allylic acetates with a variety of substituted alkenyl bromides using zinc as the terminal reductant.     

Three-Way Decision Models Based on Ideal Relations in Multi-Attribute Decision-Making

In recent years, research on applications of three-way decision (e.g., TWD) has attracted the attention of many scholars. In this paper, we combine TWD with multi-attribute decision-making (MADM). First, we utilize the essential idea of TOPSIS in MADM theory to propose a pair of new ideal relation models based on TWD, namely, the three-way ideal superiority model and the three-way ideal inferiority model. Second, in order to reduce errors caused by the subjectivity of decision-makers, we develop two new methods to calculate the state sets for the two proposed ideal relation models. Third, we employ aggregate relative loss functions to calculate the thresholds of each object, divide all objects into three different territories and sort all objects. Then, we use a concrete example of building appearance selection to verify the rationality and feasibility of our proposed models. Furthermore, we apply comparative analysis, Spearman’s rank correlation analysis and experiment analysis to illustrate the consistency and superiority of our methods.