Interaction of explicit solvent with hydrophobic/philic/charged residues of a protein: Residue character vs. conformational context

Molecular dynamics simulations of model solutes in explicit molecular water have recently elicited novel aspects of the strong nonpair additivity of the potential of mean force (PMF) and related solvent-induced forces (SIFs) and hydration. Here we present the results of the same type of work on SIFs acting on bovine pancreatic trypsin inhibitor (BPTI) at single residue/sidechain resolution. In this system, nonpair additivity and the consequent dependence of SIFs on the protein conformational context are sufficiently strong to overturn SIFs on some individual residues, relative to expectations based on their individual characters. This finding calls for a revisitation and offers a richer and diversified understanding of the role of hydrophobic/philic/charged groups in establishing the exquisite specificity of biomolecular folding and functional conformation. Its relevance is appreciated by noting that the work of a typical SIF acting on one residue, when displaced across a distance of 1 Å, is the equivalent of up to a few kcal/mol, which is the range of the stability/function free energy of a protein. Proteins 32:129–135, 1998. © 1998 Wiley-Liss, Inc.     

Characterization of bimodal cell death of insect cells in a rotating‐wall vessel and shaker flask

In previous publications, we reported the benefits of a high‐aspect rotating‐wall vessel (HARV) over conventional bioreactors for insect‐cell cultivation in terms of reduced medium requirements and enhanced longevity. To more fully understand the effects that HARV cultivation has on longevity, the present study characterizes the mode and kinetics of Spodoptera frugiperda cell death in this quiescent environment relative to a shaker‐flask control. Data from flow cytometry and fluorescence microscopy show a greater accumulation of apoptotic cells in the HARV culture, by a factor of at least 2 at the end of the cultivation period. We present a kinetic model of growth and bimodal cell death. The model is unique for including both apoptosis and necrosis, and further, transition steps within the two pathways. Kinetic constants reveal that total cell death is reduced in the HARV and the accumulation of apoptotic cells in this vessel results from reduced depletion by lysis and secondary necrosis. The ratio of early apoptotic to necrotic cell formation is found independent of cultivation conditions. In the model, apoptosis is only well represented by an integral term, which may indicate its dependence on accumulation of some factor over time; in contrast, necrosis is adequately represented with a first‐order term. Cell‐cycle analysis shows the percent of tetraploid cells gradually decreases during cultivation in both vessels. For example, between 90% and 70% viability, tetraploid cells in the HARV drop from 43 ± 1% to 24 ± 4%. The data suggests the tetraploid phase as the likely origin for apoptosis in our cultures. Possible mechanisms for these changes in bimodal cell death are discussed, including hydrodynamic forces, cell–cell interactions, waste accumulation, and mass transport. These studies may benefit insect‐cell cultivation by increasing our understanding of cell death in culture and providing a means for further enhancing culture longevity. © 1999 John Wiley & Sons, Inc. Biotechnol Bioeng 64: 14–26, 1999.     

植物病原物的群体遗传学

品种单一化、生产密集型和一年多茬的现代农业特点导致病原物呈现出进化速度加快、致病力增强及流行风险增大趋势。深入研究病原物群体遗传学对认识病害的流行、有效选育和使用抗性品种乃至控制病害具有重要意义。文章阐述了植物病原物群体遗传学的研究目标和内容、突变、基因迁移、基因重组、随机遗传漂变和自然选择5大遗传机制在植物病原物进化过程中的作用, 以及目前植物病原物群体遗传学研究的现状。     

Cultural values on CSR patterns and evolution: A study from the biplot representation

Based on institutional and stakeholder theory, this study aims to observe the influence the cultural system has on the degree of responsibility of business behaviour and examines how normative isomorphism influences the Corporate Social Responsibility practices at the country level. We use the Hofstede model because its dimension group highlights the cultural similarities and differences between countries, and we measure CSR along five indicators referring to environmental and social dimensions. This study contributes to the literature by adopting a multi-region approach considering a sample of 6600 observations of 600 publicly-listed companies headquartered in 18 countries in Europe, North America, Japan and Australia, during the period 2004–2014. Given the multidimensional character of the data, we use the exploratory statistical techniques X-STATIS and HJ-biplot, since this allows us to approximate a large group of variables in a low-dimensional space, providing us with a useful visualisation of the structure of the data of the sample relative to the variables. Our main conclusion is that cultural dimensions exert important pressures on firms and their commitment, so, companies located in collectivist societies and, even more, in feminist ones, are characterised by the pursuit of the common good and place greater emphasis on social and environmental issues, thereby showing best CSR practices. Overall, the data does point to more activity in Northern than in Southern Europe, and show that companies respond to what is important in their own countries; for example, the Nordic countries give priority to social policies, while Japanese companies are more committed to the environment. Finally, our results evidence that companies worldwide adopt similar patterns of CSR practices, but their degree of development is strongly determined by the normative institutional characteristics.     

Grazing damage and encrustation by an invasive bryozoan reduce the ability of kelps to withstand breakage by waves

Increased breakage of macroalgal fronds during large wave events can significantly reduce canopy cover and biomass. We examined the effects of encrustation by the invasive bryozoan Membranipora membranacea and damage by the snail Lacuna vincta on the ability of kelp blades (Saccharina longicruris, Laminaria digitata, and Laminaria complanata) to withstand wave forces. Using standard materials testing procedures, we documented significant reductions in the maximum stress before breakage, toughness, and extensibility of blade material following bryozoan encrustation. Histological sections of blade tissue indicated a significant degradation of the outer layers of cells following prolonged encrustation by M. membranacea as a likely cause of weakening. Full-thickness perforations and partial-thickness grazing scars also reduced blade strength, suggesting that grazing damage can initiate cracks that lead to blade breakage. Our findings provide a mechanistic link between the damaging effects of mesograzers and encrusting bryozoa on their algal hosts and the export of detrital material from subtidal kelp beds.     

Computer modelling of maximal displacement forces in endoluminal thoracic aortic stent graft

The objective of this study was to determine the orientation and magnitude of maximal displacement forces (DFs) in the thoracic aortic aneurysm endograft (TAA endograft) in three-dimensional (3D) space. Theoretical computer model representing the anatomically worst-case scenario with respect to DF magnitude was used to calculate the magnitude and orientation of maximal DF. A patient-specific anatomical computer model of typically seen, average size anatomy was used to analyse the progression of DF throughout the cardiac cycle. Maximal DFs were 35.01 and 37.32 N in standing and supine position, respectively, in 46-mm diameter TAA graft with 90° bend. A patient-specific model shows that a maximal DF magnitude is achieved at the peak systolic flow. In both models, the orientation of the DF vector was perpendicular to the greater curvature of the aorta, with upward (cranial) and sideways components. The effect of shearing force on the total DF that acts on the TAA endograft was found negligible due to the several orders of magnitude stronger contribution of pressure forces to the total DF relative to the wall shear stress contribution, resulting in aortic diameters and angulation being the main drivers of DF. It was discovered that the TAA endografts can be subjected to much stronger DF than previously suspected. The magnitude of maximal DF in thoracic aorta in the worst-case scenario could be as high as 35.01 N (standing) and 37.32 N (supine). This new information should be used in the process of designing new generations of TAA endografts with better migration resistance properties.     

The application of musculoskeletal modeling to investigate gender bias in non-contact ACL injury rate during single-leg landings

The central tenet of this study was to develop, validate and apply various individualised 3D musculoskeletal models of the human body for application to single-leg landings over increasing vertical heights and horizontal distances. While contributing to an understanding of whether gender differences explain the higher rate of non-contact anterior cruciate ligament (ACL) injuries among females, this study also correlated various musculoskeletal variables significantly impacted by gender, height and/or distance and their interactions with two ACL injury-risk predictor variables; peak vertical ground reaction force (VGRF) and peak proximal tibia anterior shear force (PTASF). Kinematic, kinetic and electromyography data of three male and three female subjects were measured. Results revealed no significant gender differences in the musculoskeletal variables tested except peak VGRF (p = 0.039) and hip axial compressive force (p = 0.032). The quadriceps and the gastrocnemius muscle forces had significant correlations with peak PTASF (r = 0.85, p < 0.05 and r = ? 0.88, p < 0.05, respectively). Furthermore, hamstring muscle force was significantly correlated with peak VGRF (r = ? 0.90, p < 0.05). The ankle flexion angle was significantly correlated with peak PTASF (r = ? 0.82, p < 0.05). Our findings indicate that compared to males, females did not exhibit significantly different muscle forces, or ankle, knee and hip flexion angles during single-leg landings that would explain the gender bias in non-contact ACL injury rate. Our results also suggest that higher quadriceps muscle force increases the risk, while higher hamstring and gastrocnemius muscle forces as well as ankle flexion angle reduce the risk of non-contact ACL injury.     

近30年来白洋淀湿地景观格局变化及其驱动机制

湿地是水陆相互作用形成的独特生态系统,其景观格局极易受到气候变化和人类活动的影响。利用1984—2014年的11期遥感影像数据,综合运用GIS技术和景观格局指数方法,对白洋淀湿地景观格局变化特征及其驱动力机制进行了分析。结果表明,1984—2014年期间,挺水植物和沉水植物呈减少趋势,农田和居民点持续快速增长,纯水体为"增加—减少—再增加"的趋势,林地和裸土地变化幅度不大。其中挺水植物一直是白洋淀最主要的景观类型,占研究区总面积比例达到37%—61%。农田的平均斑块面积最大,挺水植物的最大斑块指数和分维度指数最高,挺水植物和农田的聚集度指数最大,居民点、林地和裸土地空间分布离散,破碎化程度高,连通性差。1989—2004年白洋淀景观多样性指数呈减少趋势,景观格局趋于不稳定,同期聚集度指数上升,湿地连通性增加;1984—1989年和2004—2014年期间白洋淀多样性指数上涨,聚集度指数逐年下降,景观异质性增加。人口和社会经济发展是影响白洋淀景观格局变化的主要因素。