Exploring the effect of D61G mutation on SHP2 cause gain of function activity by a molecular dynamics study

Noonan syndrome (NS) is a common autosomal dominant congenital disorder which could cause the congenital cardiopathy and cancer predisposition. Previous studies reported that the knock-in mouse models of the mutant D61G of SHP2 exhibited the major features of NS, which demonstrated that the mutation D61G of SHP2 could cause NS. To explore the effect of D61G mutation on SHP2 and explain the high activity of the mutant, molecular dynamic simulations were performed on wild type (WT) of SHP2 and the mutated SHP2-D61G, respectively. The principal component analysis and dynamic cross-correlation mapping, associated with secondary structure, showed that the D61G mutation affected the motions of two regions (residues Asn 58-Thr 59 and Val 460-His 462) in SHP2 from β to turn. Moreover, the residue interaction networks analysis, the hydrogen bond occupancy analysis and the binding free energies were calculated to gain detailed insight into the influence of the mutant D61G on the two regions, revealing that the major differences between SHP2-WT and SHP2-D61G were the different interactions between Gly 61 and Gly 462, Gly 61 and Ala 461, Gln 506 and Ile 463, Gly 61 and Asn 58, Ile 463 and Thr 466, Gly 462 and Cys 459. Consequently, our findings here may provide knowledge to understand the increased activity of SHP2 caused by the mutant D61G.     

噬菌体与宿主菌间的角逐

噬菌体和它们的宿主菌组成了地球上教目最庞大的微生物种群,噬菌体靠寄生宿主菌来扩增繁衍。但在漫长的进化中,噬菌体与宿主菌间不单是捕食关系,它们间还形成了复杂的相互对抗机制,其中抵抗防御机制的抗防御机制也会促使抗．抗防御机制的产生。从生态学角度来看,噬菌体和宿主菌间的共进化保持着动态平衡。本文综述近年来这一领域的研究,为更清楚地了解噬菌体与宿主菌间的关系和应用提供了参考。     

Role of tyrosine hot‐spot residues at the interface of colicin E9 and immunity protein 9: A comparative free energy simulation study

The endonuclease activity of the bacterial colicin 9 enzyme is controlled by the specific and high‐affinity binding of immunity protein 9 (Im9). Molecular dynamics simulation studies in explicit solvent were used to investigate the free energy change associated with the mutation of two hot‐spot interface residues [tyrosine (Tyr): Tyr54 and Tyr55] of Im9 to Ala. In addition, the effect of several other mutations (Leu33Ala, Leu52Ala, Val34Ala, Val37Ala, Ser48Ala, and Ile53Ala) with smaller influence on binding affinity was also studied. Good qualitative agreement of calculated free energy changes and experimental data on binding affinity of the mutations was observed. The simulation studies can help to elucidate the molecular details on how the mutations influence protein–protein binding affinity. The role of solvent and conformational flexibility of the partner proteins was studied by comparing the results in the presence or absence of solvent and with or without positional restraints. Restriction of the conformational mobility of protein partners resulted in significant changes of the calculated free energies but of similar magnitude for isolated Im9 and for the complex and therefore in only modest changes of binding free energy differences. Although the overall binding free energy change was similar for the two Tyr–Ala mutations, the physical origin appeared to be different with solvation changes contributing significantly to the Tyr55Ala mutation and to a loss of direct protein–protein interactions dominating the free energy change due to the Tyr54Ala mutation. Proteins 2013. © 2012 Wiley Periodicals, Inc.     

正交设计和动态过程优化两面针超声提取工艺

以总生物碱提取率为指标,先用正交试验优化两面针的超声提取工艺,再动态过程精选提取工艺。最佳工艺条件为:复合酶预处理后,以体积分数60%乙醇(盐酸5 g/L)超声(250 W)提取3次,第1次以10倍量溶剂提取15 min,第2次以4倍量溶剂提取12 min,第3次以3倍量溶剂提取9 min,总生物碱提取率87.80%。该工艺高效、节能、省时,为工业生产奠定了实验基础。     

临海柑橘园橘小实蝇种群数量消长规律

【背景】近年来,随着种植结构的改变以及南方携虫水果的频繁调运,橘小实蝇逐渐向北扩散危害,对水果生产造成严重威胁。【方法】2008～2010年应用性诱剂的监测方法对柑橘园橘小实蝇种群数量进行了定点、系统的跟踪监测;并结合气象资料和田间调查情况,通过对当旬成虫数量与当旬及其前延逐句气象要素的筛选来建模,进而确定影响橘小实蝇种群数量的主要气象因子。【结果】临海柑橘园橘小实蝇种群数量时序变化呈单峰型曲线,其性诱成虫初见期在6月下旬至8月初,高峰期在9月上旬至11月上旬,11月中旬后成虫数量逐渐下降,到12月下旬未诱集到成虫。气象因子筛选和建模结果表明,柑橘园橘小实蝇成虫种群数量年度变动以旬平均温度为决定要素,季节性变化以旬降雨量为决定要素。【结论与意义】临海柑橘园橘小实蝇种群数量随温度和土壤湿度的增大而增长。本研究对提高橘小实蝇监测预警水平、有效控制橘小实蝇危害具有重要意义。     

Inertial sensor based method for identifying spherical joint center of rotation

The miniaturized wireless inertial measurement unit (IMU) technology and algorithms presented herein promote rapid and accurate predictions of the center-of-rotation (CoR) for ball/spherical joints. The algorithm improves upon existing IMU-based methods by directly utilizing the measured acceleration and angular velocity provided by the IMU to deduce the CoR in lieu of relying on error-prone velocity and position estimates. Results demonstrate that this new method resolves the position of the CoR to within a 3 mm sphere of the true CoR determined by a precision coordinate measuring machine. Such accuracy may render this method attractive for broad use in field, laboratory and clinical settings requiring non-invasive and rapid estimates of joint CoR.     

Performance of a new dynamic model for predicting diurnal time courses of stomatal conductance at the leaf level

Under natural conditions, plants are subjected to continuous changes of irradiance that drive variations of stomatal conductance to water vapour (g_s). We propose a dynamic model to predict the temporal response of g_s at the leaf level using an asymmetric sigmoid function with a unique parameter describing time constants for increasing and decreasing g_s. The model parameters were adjusted to observed data using Approximate Bayesian Computation. We tested the model performance for (1) instant changes of irradiance; or (2) continuous and controlled variations of irradiance simulating diurnal time courses. Compared with the two mostly used steady‐state models, our dynamic model described daily time courses of g_s with a higher accuracy. In particular, it was able to describe the hysteresis of g_s responses to increasing/decreasing irradiance and the resulting rapid variations of intrinsic water‐use efficiency. Compared to the mechanistic model of temporal responses of g_s by Kirschbaum, Gross & Pearcy, for which time constants were estimated with a large variance, our model estimated time constants with a higher precision. It is expected to improve predictions of water loss and water‐use efficiency in higher scale models by using a small number of parameters.     

瓢虫种群对棉花-玉米农田景观格局的响应

本文研究了华北棉花-玉米农田景观格局中龟纹瓢虫Propylaea japonica(Thunberg)和异色瓢虫Harmonia axyridis(Pallas)种群动态,发现农田景观格局中作物类型(棉花与玉米)对两种瓢虫种群密度动态有显著的影响,两种天敌瓢虫都趋向在玉米斑块上栖息。两种瓢虫在棉花斑块上呈现出时间分化,其中龟纹瓢虫在棉花种植的前中期种群密度较大,后期较少;而异色瓢虫在棉花前中期种群密度较少,后期较多,表明农田景观中种植玉米有利于增强瓢虫对棉花害虫的控制作用。进一步的研究表明,农田景观系统中玉米斑块所占的面积比对龟纹瓢虫和异色瓢虫种群密度均产生显著影响。这说明在农田景观系统中开展区域性生态调控的时候,需要考虑到各类斑块组合的面积比例,从而有利于增强多种天敌昆虫的协调控害作用。