Second virial coefficient of alpha-crystallin

Light scattering studies were performed on bovine alpha-crystallin measuring the scattering intensities as a function of scattering angle, concentration, and temperature. The data yielded the molecular weight, radius of gyration, and second virial coefficient of alpha-crystallin at different temperatures. The second virial coefficient increased with increasing temperature. Both the enthalpy and entropy of solution of alpha-crystallin are positive. The Flory theta temperature was found to be 271 K.     

Entropy as a factor in the binding of γ-aminobutyric acid and nipecotic acid to the γ-aminobutyric acid transport system

Nipecotic acid is one of the most potent competitive inhibitors and alternative substrates for the high-affinity -aminobutyric acid transport system in neurons, but the structural basis of this potency is unclear. Because -aminobutyrate is a highly flexible molecule in solution, it would be expected to lose rotational entropy upon binding to the transport system, a change which does not favor binding. Nipecotic acid, in contrast, is a much less flexible molecule, and one would expect the loss of conformational entropy upon binding to be smaller thus favoring the binding of nipecotic acid over -aminobutyric acid. To investigate this possibility, the thermodynamic parameters, G°, H°, and S°, were determined for the binding of -aminobutyrate and nipecotic acid to the high affinity GABA transport system in synaptosomes. In keeping with expectations, the apparent entropy change for nipecotic acid binding (112±13 J·K^–1) was more favorable than the apparent entropy change for -aminobutyric acid binding (61.3±6.6 J·K^–1). The results suggest that restricted conformation per se is an important contributory factor to the affinity of nipecotic acid for the high-affinity transport system for -aminobutyric acid.This work was conducted when both authors were at the Department of Chemistry, University of Maryland, College Park.Special issue dedicated to Dr. Elling Kvamme.     

细胞寒害的热力学熵理论(Ⅱ)──超熵产生作为寒害稳定性判据的理论研究

本文从物质和能量交换的角度,运用非平衡态热力学超熵产生理论,分析了寒害定态的稳定性,并建立了超熵产生判据．理论分析所得的结论与实验结果基本相符．     

Insights into the local residual entropy of proteins provided by NMR relaxation.

A simple model is used to illustrate the relationship between the dynamics measured by NMR relaxation methods and the local residual entropy of proteins. The expected local dynamic behavior of well-packed extended amino acid side chains are described by employing a one-dimensional vibrator that encapsulates both the spatial and temporal character of the motion. This model is then related to entropy and to the generalized order parameter of the popular "model-free" treatment often used in the analysis of NMR relaxation data. Simulations indicate that order parameters observed for the methyl symmetry axes in, for example, human ubiquitin correspond to significant local entropies. These observations have obvious significance for the issue of the physical basis of protein structure, dynamics, and stability.     

Information-theoretical entropy as a measure of sequence variability.

We propose the use of the information-theoretical entrophy, S = -sigman pi log2 pi, as a measure of variability at a given position in a set of aligned sequences. pi stands for the fraction of times the i-th type appears at a position. For protein sequences, the sum has up to 20 terms, for nucleotide sequences, up to 4 terms, and for codon sequences, up to 61 terms. We compare S and Vs, a related measure, in detail with Vk, the traditional measure of immunoglobulin sequence variability, both in the abstract and as applied to the immunoglobulins. We conclude that S has desirable mathematical properties that Vk lacks and has intuitive and statistical meanings that accord well with the notion of variability. We find that Vk and the S-based measures are highly correlated for the immunoglobulins. We show by analysis of sequence data and by means of a mathematical model that this correlation is due to a strong tendency for the frequency of occurrence of amino acid types at a given position to be log-linear. It is not known whether the immunoglobulins are typical or atypical of protein families in this regard, nor is the origin of the observed rank-frequency distribution obvious, although we discuss several possible etiologies.     

多源空间数据整合视角下的城市开发强度研究

城市开发强度能直观表征人类活动强度,对指导城市规划与管理、促进城市可持续发展具有重要价值。采用社会-经济-生态系统耦合视角构建城市开发强度的多维测度体系,整合多源空间数据,测度了杭州市主城及3个副城的开发强度并揭示了其空间分布特征。结果表明,杭州城市开发强度由主城向副城呈波动降低,高强度开发过度集中于主城,主城的功能疏散有待加强;各副城开发强度不一,江南城与主城呈现跨江融合,临平城、下沙城空间上较为独立;各开发维度中,建筑强度、功能强度及效益强度热点区分布基本一致,环境响应高强度区则集聚于主副城交界处,表现出空间异质性。多维测度体系可较好表征城市开发强度,对城市规划及精细化管理具有一定的应用价值。     

Ontogenetic trait variation and metacommunity effects influence species relative abundances during tree community assembly

Predicting species abundance is one of the most fundamental pursuits of ecology. Combining the information encoded in functional traits and metacommunities provides a new perspective to predict the abundance of species in communities. We applied a community assembly via trait selection model to predict quadrat-scale species abundances using functional trait variation on ontogenetic stages and metacommunity information for over 490 plant species in a subtropical forest and a lowland tropical forest in Yunnan, China. The relative importance of trait-based selection, mass effects, and stochasticity in shaping local species abundances is evaluated using different null models. We found both mass effects and trait selection contribute to local abundance patterns. Trait selection was detectable at all studied spatial scales (0.04–1 ha), with its strength stronger at larger scales and in the subtropical forest. In contrast, the importance of stochasticity decreased with spatial scale. A significant mass effect of the metacommunity was observed at small spatial scales. Our results indicate that tree community assembly is primarily driven by ontogenetic traits and metacommunity effects. Our findings also demonstrate that including ontogenetic trait variation into predictive frameworks allows ecologists to infer ecological mechanisms operating in community assembly at the individual level.     

单一景观空间分布指数及其适用性评价

为描述单一景观的空间分布离散性和广度特征,引入基于香农熵的空间分布指数(MSHDI,Modified Shannon's Distribution Index),利用河南省中南部地区1990、2001和2007年3期TM/ETM+遥感影像,进行了MSHDI与经典景观指数的比较,并分析了MSHDI与面积指数(PLAND,Percentage of Landscape)在多网格尺度下的相关关系。结果表明:(1)MSHDI在描述单一景观的空间分布广度和离散程度特征方面具有较好的适用性。MSHDI能适应不同制图综合程度的影响,并能反映出景观斑块边缘的细微差别。(2)通过分析MSHDI与PLAND之间相关系数的大小和变化程度可以分别验证MSHDI的表征性和稳定性。(3)MSHDI适用于基底和散布状景观,两种指数之间有显著的正相关性(农用地=0.939,=0.000;城市建设=0.877,=0.004;工矿仓储=0.870,=0.002;自然绿地=0.966,=0.001),且随网格粒度变化不大(农用地r=0.921±0.054;城市建设r=0.867±0.107;工矿仓储r=0.883±0.052;自然绿地r=0.964±0.024);而对网状景观则缺乏稳定性。     

气候变化对东北沼泽湿地潜在分布的影响

东北地区是我国沼泽湿地分布最广泛的地区。为研究沼泽湿地对气候变化的响应,选取了对沼泽湿地分布可能存在影响的26个环境因子,利用最大熵(Maximum Entropy, MaxEnt)模型模拟了沼泽湿地基准气候条件下的潜在分布,并预测了气候变化情景下2011-2040 年、2041-2070 年和2071-2100 年3个研究阶段东北沼泽湿地潜在分布。研究结果表明:最大熵模型预测精度较高(平均AUC(Aera Under Curve)为(0.826±0.005))。基准气候条件下东北沼泽潜在分布区主要为大小兴安岭和三江平原地区。随着时间的推进,东北地区沼泽湿地原有潜在分布面积明显减少,而新增潜在分布面积较少,总面积呈现急剧减少趋势。至2071-2100年,原有沼泽湿地潜在分布面积将减少99.80%,新增潜在分布面积仅2.48%,总潜在分布面积减少97.32%。空间分布上,东北沼泽湿地潜在分布呈现由东向西迁移,南北向中心收缩的趋势。研究结果可为东北地区沼泽湿地保护政策的制定提供参考。     

基于多判据决策的水体营养状态评价

为了准确地评价水生态系统营养状态和综合决策,通过最大熵原理耦合模糊性与随机性,建立了最大熵模糊评价模型(FAME);利用逼近理想解排序法(TOPSIS),以待决策水体样本的实测值为理想解,以评价结果中与实测值相差最大的为负理想解,建立了多判据决策模型(MCDM).经12个湖泊实测数据验证,最大熵模糊评价与随机评价、模糊评价和灰色评价的结果较为一致,但提高了评价水体营养状态问题各层次的分辨力.多判据决策模型可解决多种方法评价结果不相容问题,使评价结果更接近水体实际情况.FAME和MCDM适用于各种水质的综合评价及决策.