A Refined Open State of the Glycine Receptor Obtained via Molecular Dynamics Simulations

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Computer simulation of synchronization of Na/K pump molecules

The behavior of Na/K pump currents when exposed to an oscillating electric field is studied by computer simulation. The pump current from a single pump molecule was sketched based on previous experimental results. The oscillating electric field is designed as a symmetric, dichotomous waveform varying the membrane potential from −30 to −150 mV around the membrane resting potential of −90 mV. Based on experimental results from skeletal muscle fibers, the energy needed to overcome the electrochemical potentials for the Na and K-transports are calculated in response to the field’s two half-cycles. We found that a specially designed oscillating electric field can eventually synchronize the pump molecules so that all the individual pumps run at the same pumping rate and phase as the field oscillation. They extrude Na ions during the positive half-cycle and pump in K ions during the negative half-cycle. The field can force the two ion-transports into the corresponding half-cycles, respectively, but cannot determine their detailed positions. In other words, the oscillating electric field can synchronize pumps in terms of their pumping loops but not at a specific step in the loop. These results are consistent with our experimental results in measurement of the pump currents.     

Bio-oxidation of tripropylene glycol under aerobic conditions

Aerobic biodegradation of tripropylene glycol (PG3) was investigated under the conditions of the OECD screening test 301E and the Continuous Flow Activated Sludge Simulation test (CFAS). A modified two-chamber facility with a denitrification stage was used for the CFAS test. Primary PG3 biodegradation was measured by the HPLC with fluorimetric detection and analyte derivatisation. Metabolites were identified by LC-MS with electrospray ionisation and GC-MS with electron impact ionisation, as well as semiquantitatively determined by the LC-MS technique. PG3 was found to be inherently biodegradable and it exhibits a strong poisonous effect on activated sludge after exceeding the threshold concentration (10 mg l⁻¹). Metabolite accumulation onto the activated sludge is probably responsible for this poisonous effect. Probable biotransformation products of tripropylene glycol under the aerobic conditions include metabolites with a single terminal aldehyde or a ketone group and metabolites with two terminal aldehyde or ketone groups. Their concentration rises at the end of the OECD screening test.     

无量山大寨子黑长臂猿(Nomascus concolor jingdongensis)种群生存力

据2003年9月至2005年9月,对云南中部无量山大寨子黑长臂猿种群（5个群体）进行了观察,获得了群体大小、配偶体制、繁殖间隔、环境容纳量、死亡率、灾害的发生频率等种群参数,并结合近缘种的一些相关数据,利用旋涡模型（Vortex 914）,对无量山大寨子地区黑长臂猿亚种群的动态进行了模拟分析。结果显示：大寨子亚种群是一个具有很强的潜在繁殖力的种群,如果没有偷猎,亚种群在100a之内不会灭绝,并且能迅速达到环境容纳量。但是每年如果有1只成年雄性和1只成年雌性被猎杀,该种群将会在第78年灭绝,且灭绝概率为100%。不同程度的死亡率对种群影响不大,但高死亡率显著延缓了种群到达环境容纳量的时间。环境容纳量对种群遗传多样性损失具有重要的影响,在没有猎杀的情况下,种群的长期存活需要一个较大的环境容纳量。因此,在黑长臂猿受到严格保护、且栖息地主要在保护区内的今天,严密监控火灾的发生,限制牲畜进入林区等人为干扰的影响,保护好黑长臂猿栖息地是首要工作之一。但如果能使其栖息地周围的森林植被得到恢复,增加其栖息范围,将有利于该地区黑长臂猿的发展。     

基于过程的小麦茎鞘夹角动态模拟

基于不同株型品种和不同密度处理的小麦田间试验,连续观察并记录各处理不同叶位叶鞘与主茎之间的夹角,进一步利用系统分析方法和动态建模技术,构建基于过程的小麦叶片茎鞘夹角的动态模拟模型.结果表明:小麦茎鞘夹角随叶片生育进程不断加大,并随密度的增大而减小;从第2叶开始,最大茎鞘夹角随叶位的增加而减小.所建模型利用Logistic方程描述叶片茎鞘夹角随生育进程的动态变化过程,使用分段函数描述最大茎鞘夹角随叶位的动态变化,引入品种参数(第2叶茎鞘夹角的最大值)量化了茎鞘夹角在不同品种之间的差异,并利用基本苗量化了密度对茎鞘夹角的影响.基于独立的田间试验资料对所建模型进行测试与检验,结果显示茎鞘夹角模拟值与观测值之间的均方根差为1.7°.表明模型对小麦主茎叶片茎鞘夹角的动态变化过程具有较好的预测性,为小麦生长过程的可视化表达奠定了技术基础.     

具有社会行为的HIV传播模型

考虑到HIV传播的社会行为的影响,建立了一个HIV传播的偏微分方程系统.利用预测校正方法我们给出了系统的数值解法,由此说明人的行为在HIV传播中的重要作用.     

沙坡头地区人工固沙植物水分利用及其生态位适宜度过程数值模拟分析

本文以干旱区植物为研究对象,探讨了自然降水资源的时空分布规律以及降水与固沙植物耗水之间的制约关系。通过扩展经典生态位理论的内涵,用数学抽象的方法定义植物水分生态位适宜度为其水分最适生态位点与现实生态位的贴近度,建立相应的数学模型,对固沙植物生态位适宜度进行了定量分析,并建立了生态位适宜度过程模拟方法。依据实验结果进行了有关计算与数值模拟,所做模拟结果与实际观测结果相吻合。结果表明,柠条与油嵩混播为实验条件下的最佳种植方式,密度为5000株／hm^2时其水分生态位适宜度最高,林木覆盖率也最大。文中进一步讨论了有限降水限制和沙地土壤水分亏缺胁迫下油篙和柠条对水分的竞争行为,混播下的生态位适宜度变化及稳定共存格局形成的机理。该结果为干旱区人工林的营建提供了定量依据。