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Protein collective motions play a critical role in many biochemical processes. How to predict the functional motions and the related key residue interactions in proteins is important for our understanding in the mechanism of the biochemical processes. Normal mode analysis (NMA) of the elastic network model (ENM) is one of the effective approaches to investigate the structure-encoded motions in proteins. However, the motion modes revealed by the conventional NMA approach do not necessarily correspond to a specific function of protein. In the present work, a new analysis method was proposed to identify the motion modes responsible for a specific function of proteins and then predict the key residue interactions involved in the functional motions by using a perturbation approach. In our method, an internal coordinate that accounts for the specific function was introduced, and the Cartesian coordinate space was transformed into the internal/Cartesian space by using linear approximation, where the introduced internal coordinate serves as one of the axes of the coordinate space. NMA of ENM in this internal/Cartesian space was performed and the function-relevant motion modes were identified according to their contributions to the specific function of proteins. Then the key residue interactions important for the functional motions of the protein were predicted as the interactions whose perturbation largely influences the fluctuation along the internal coordinate. Using our proposed methods, the maltose transporter (MalFGK2) from E. Coli was studied. The functional motions and the key residue interactions that are related to the channel-gating function of this protein were successfully identified.  相似文献   
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利用遥感生态指数(RSEI)对区域生态变化进行评价,可以快速、高效、客观地获取研究区生态环境变化状况.本研究以两期Landsat数据为数据源,计算研究区绿度、湿度、热度、干度4个生态因子的遥感生态指数,并基于主成分分析法确定其权重,对古尔班通古特沙漠2006—2017年间的生态环境时空格局进行定性和定量评价.结果表明: 湿度和绿度对古尔班通古特沙漠生态环境质量起正面作用,而热度和干度对生态环境质量起负面作用,其中代表绿度指标的归一化植被指数(NDVI)的贡献最大.2006—2017年间,古尔班通古特沙漠的RSEI有所下降,其均值从0.294下降至0.243,降幅达20.1%,研究区的生态环境状况呈现整体变差的趋势.古尔班通古特沙漠中部生态环境较为稳定,东北部植被覆盖密集区及南缘灌溉区生态环境质量变好,沙漠南部及西北部区域生态环境质量变差.  相似文献   
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水资源是一切生物赖以生存和不可替代的基本自然资源,生态需水在维持流域生态系统平衡和生态承载力可持续性方面扮演着极其重要的角色,干旱区内陆河流域尤为突出。以疏勒河流域和其所辖县区为不同尺度区域,利用LandsatTM/ETM+/OLI遥感数据(30 m分辨率),解译该流域近20年5期土地利用数据,同时在收集和整理流域多年水文水资源基础数据的基础上,以流域生态需水为研究主线,运用多学科方法和原理,结合遥感技术、GIS技术,通过现场调查和观测,计算了流域及其所辖县区近20年生态承载力和天然植被生态需水量。结果表明:近20年来,伴随流域生态承载力的增加,生态需水量也呈增加趋势,两者呈非常明显的正相关关系,相关系数达0.6076;县域尺度上,生态需水与生态承载力正相关关系也较高,其中林、草地的生态需水与生态承载力拟合优度R~2分别达0.8519、0.7235,说明林、草地生态承载力的变化对生态需水变化的解释能力更强,二者之间的关系更为紧密;基于空间热点分析,该流域生态承载力和生态需水的热点和冷点区域均呈现相似的空间格局,说明二者之间在空间尺度上也呈正相关关系。研究结论可为疏勒河流域生态水资源量的科学配置和调控提供重要的决策依据。  相似文献   
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目的:探究尖波间期和无尖波恢复期颞叶癫痫大鼠模型的海马CA1网络theta节律随癫痫发展进程的变化规律。方法:14只成年雄性Wistar大鼠(200~250 g)麻醉后开颅,在海马的背侧埋入一个双极性钢电极(直径小于1 mm),在颅骨上埋入三个不锈钢皮质电极,在左和右额皮质内分别植入两个电极,在小脑埋入参考电极,粘合颅骨,检测、记录大鼠脑电图;之后腹腔注射癫痫诱发药物,匹罗卡品氢氯化物(pilocarpine hydrochloride,310 mg/kg),30 min后给予大鼠莨菪碱 (scopolamine, 1 mg/kg);借助14只大鼠在嗅行(exploration)时脑深部记录(SEEG),应用Gabor小波时频能量分析估算断裂段数(以350 ms为1段),与总段数的比值定义为断裂比,用来衡量theta节律断裂程度,分别计算了癫痫发展进程的早期(D7)和晚期(D25)中两个邻近尖波之间时间段(定义为尖波间期)和随后无尖波恢复期theta节律断裂比,与注射前脑电图比较。结果:① 与对照脑电图比较,癫痫诱发大鼠的D7和D25的theta节律断裂比显著升高(P<0.05),并且D7远高于晚期D25;② 在无尖波恢复期,theta节律断裂比与尖波间期相当 (P<0.05)。结论:癫痫尖波直接导致了theta节律断裂,断裂程度将随癫痫发展进程而动态变化,早期伤害尤其严重。  相似文献   
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The hierarchical branching nature of river networks can have a strong influence on the assembly of freshwater communities. This unique structure has spurred the development of the network position hypothesis (NPH), which states that the strength of different assembly processes depends on the community position in the river network. Specifically, it predicts that 1) headwater communities should be exclusively controlled by the local environment given that they are more isolated and environmentally heterogeneous relative to downstream reaches. In contrast, 2) downstream communities should be regulated by both environmental and dispersal processes due to increased connectivity given their central position in the riverscape. Although intuitive, the NPH has only been evaluated on a few catchments and it is not yet clear whether its predictions are generalizable. To fill this gap, we tested the NPH on river dwelling fishes using an extensive dataset from 28 French catchments. Stream and climatic variables were assembled to characterize environmental conditions and graph theory was applied on river networks to create spatial variables. We tested both predictions using variation partitioning analyses separately for headwater and downstream sites in each catchment. Only 10 catchments supported both predictions, 11 failed to support at least one of them, while in 7 the NPH was partially supported given that spatial variables were also significant for headwater communities. We then assembled a dataset at the catchment scale (e.g. topography, environmental heterogeneity, network connectivity) and applied a classification tree analysis (CTA) to determine which regional property could explain these results. The CTA showed that the NPH was not supported in catchments with high heterogeneity in connectivity among sites. In more homogeneously connected catchments, the NPH was only supported when headwaters were more environmentally heterogeneous than downstream sites. We conclude that the NPH is context dependent even for taxa dispersing exclusively within streams.  相似文献   
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Few regions have been more severely impacted by climate change in the USA than the Desert Southwest. Here, we use ecological genomics to assess the potential for adaptation to rising global temperatures in a widespread songbird, the willow flycatcher (Empidonax traillii), and find the endangered desert southwestern subspecies (E. t. extimus) most vulnerable to future climate change. Highly significant correlations between present abundance and estimates of genomic vulnerability – the mismatch between current and predicted future genotype–environment relationships – indicate small, fragmented populations of the southwestern willow flycatcher will have to adapt most to keep pace with climate change. Links between climate‐associated genotypes and genes important to thermal tolerance in birds provide a potential mechanism for adaptation to temperature extremes. Our results demonstrate that the incorporation of genotype–environment relationships into landscape‐scale models of climate vulnerability can facilitate more precise predictions of climate impacts and help guide conservation in threatened and endangered groups.  相似文献   
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Food–web complexity often hinders disentangling functionally relevant aspects of food–web structure and its relationships to biodiversity. Here, we present a theoretical framework to evaluate food–web complexity in terms of biodiversity. Food network unfolding is a theoretical method to transform a complex food web into a linear food chain based on ecosystem processes. Based on this method, we can define three biodiversity indices, horizontal diversity (DH), vertical diversity (DV) and range diversity (DR), which are associated with the species diversity within each trophic level, diversity of trophic levels, and diversity in resource use, respectively. These indices are related to Shannon's diversity index (H′), where H′ = DH + DV ? DR. Application of the framework to three riverine macroinvertebrate communities revealed that D indices, calculated from biomass and stable isotope features, captured well the anthropogenic, seasonal, or other within‐site changes in food–web structures that could not be captured with H′ alone.  相似文献   
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