初始压力对连通容器甲烷-空气混合物泄爆压力的影响

建立球形容器与管道、2个球形容器与管道组成的2种形式的连通容器试验装置,研究初始压力对连通容器甲烷-空气混合物泄爆压力的影响。结果表明:连通容器内泄爆超压随初始压力增加而增大,并与初始压力近似成线性关系;对于2个球形容器与管道组成的连通容器,起爆容器的泄爆超压始终小于传爆容器;泄爆方式和点火方式对连通容器泄爆超压有较大影响,大容器点火时,2个容器的泄爆压力差随初始压力增加而增大,但小容器点火时,2个容器的泄爆压力差随初始压力的增加变化较小;初始压力对不同结构和尺寸的连通容器的泄爆压力的影响不同,当令初始压力对大容器点火时,小容器内泄爆压力受影响最大,而当对单球形容器与管道组成的连通容器的小容器点火时,小容器内泄爆压力受影响最小。     

达里诺尔湖溶解性有机质荧光特征与人工神经网络非线性响应研究

研究湖泊水体DOM（溶解性有机质）特征及其与复合环境要素的响应关系,对水生态系统保护及生物地球化学循环研究具有重要意义.以内蒙古达里诺尔湖（简称“达里湖”）为研究区,利用紫外-可见光谱技术（UV-vis）和人工神经网络模型（ANN）方法,开展达里湖水体DOM特征识别及其水质响应关系的研究.结果表明:①达里湖水环境污染程度较为严重,水体呈富营养化趋势.DOM吸收系数〔α（355）〕表明,夏季湖体DOM浓度较高.②建立了α（355）与达里湖水体ρ（TN）、ρ（TP）、pH和ρ（Chla）的人工神经网络模型,该模型验证期和测试期决定系数（R2）分别为0.78和0.84,该模型具有较好的DOM模拟和预测能力.③人工神经网络模型参数敏感性分析结果表明,α（355）对ρ（Chla）变化最敏感,敏感性水平为31.95%;其次为pH和ρ（TN）,α（355）对二者变化的敏感性水平分别为28.53%和25.54%;α（355）对ρ（TP）变化敏感性最低,敏感性水平为8.16%.研究显示,达里湖DOM对富营养化的发生具有较显著的表征影响,人工神经网络模型可为富营养化预测提供科学参考.      

水源水消毒副产物生成势与UV254/DOC的相关性研究

使用XAD-4和XAD-8树脂对宜兴3个水源原水中DOM进行亲疏水性分类,采用优化方法测定分类水样的DBPFP,并进行DBPFP与DOM量化指标之间的相关性分析,以确定实际生产过程DBPs生成量的主要影响因素.由三维荧光光谱图得到3个水源原水DOM组成差异较大,水质区别明显.由亲疏水性分类分析发现原水中疏水性和亲水性DOM含量较高,疏水性DOM水样的DBPFP大于原水,得到水样的DBPFP主要取决于DOM与消毒剂反应产生DBPs的效率,而不是DOM的量.引入UV_(254)/DOC这个指标,发现不同分类水样UV_(254)/DOC的差异情况与其DBPFP相吻合,对两者进行回归分析,发现水样THMFP和DHAAFP与UV_(254)/DOC之间存在明显的线性关系,线性可决系数R2分别为0.89和0.85.因此研究减小原水UV_(254)/DOC的技术工艺对于控制给水中DBPs浓度具有重要意义.     

基于QSAR关系预测PCBs和部分PAHs在LDPE中的扩散系数

分子扩散系数（D）是获得污染物与环境介质之间的平衡分配系数（K）的重要前提,然而通过实验测定获取污染物的扩散系数的过程过于繁琐,因此需开发一种更为简单、高效、准确的预测模型来定量预测扩散系数.为此,本文搜集了一些多环芳香烃（PAHs）和多氯联苯（PCBs）在低密度聚乙烯膜（LDPE）上扩散系数（log D）的实测值,基于定量结构-活性关系（QSAR）,利用逐步多元线性回归（MLR）构建了预测D值的模型.模型的决定系数R_adj²为0.941,交叉验证系数Q_LOO²为0.934,外部系数Q_ext²为0.895.结果表明,该QSAR模型具有良好的拟合优度、稳健性和预测能力,其可用来预测应用域内有机污染物在LDPE膜上的扩散系数.     

Inhibition of thrombin by functionalized C60 nanoparticles revealed via in vitro assays and in silico studies

The studies on the human toxicity of nanoparticles (NPs) are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs (C₆₀ NPs) have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C₆₀ NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C₆₀ NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C₆₀ NPs, of greater hydrophobicity and hydrogen bond (HB) donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive inhibitors. Molecular docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C₆₀ NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C₆₀ NPs relevant to their anticoagulation effect.     

生产力与生物多样性关系的研究进展

生产力和生物多样性是生态系统两个基本属性。然而,几十年来,人们一直在争论它们之间的相互关系及其潜在机制。论文综述过去有关两者关系的控制实验、meta分析、多点观测研究和潜在机制,发现两者关系主要表现为单峰关系、正相关关系、负相关关系、无关系、“U”型关系,并且关于它们关系的潜在机制也没有普遍共识。同时,两者关系及其潜在机制均对尺度具有很强依赖性。分析其原因,可能生产力与生物多样性的关系不是简单或直接因果关系,而是由相互关联的、多变量过程共同控制。因此,应放弃固定化二元模式,开展多元化驱动因素的生物多样性研究,加强人类对复杂生态系统过程的理解,提供更具意义的生物多样性保护和管理指导。     

Oviposition-stimulating activity of (E)-capsaicin identified in Capsicum annuum fruit and related compounds towards Helicoverpa assulta (Lepidoptera: Noctuidae)

Summary. The oviposition-stimulating activity of (E)-capsaicin identified in the fruits of red pepper, Capsicum annuum L. (Solanaceae), towards the oriental tobacco budworm, Helicoverpa assulta (Guenée), was examined in the laboratory by using choice and no-choice bioassays. Results were compared with those of the commercially available capsanthin and dihydrocapsaicin, another known constituents of C. annuum fruit, and (Z)-capsaicin. In no-choice oviposition bioassays at 10.5 μg/cm², (E)-capsaicin was the most active oviposition stimulant. Weak stimulatory activity was observed with capsanthin, (Z)-capsaicin and dihydrocapsaicin. In choice oviposition bioassays at 2.6 μg/cm², there were significant differences in oviposition-stimulating activity between (E)-capsaicin and each of the other three alkaloids. Structure-activity relationships indicate that the presence of double bond and its trans configuration appeared to play a crucial role in the oviposition-stimulating activity. On the basis of our results, (E)-capsaicin acts as a contact oviposition stimulant of female H. assulta.     

Phytoplankton production modelling in three marine ecosystems—static versus dynamic approach

Phytoplankton productivity is usually determined from water samples incubated at a number of irradiance levels during several hours. The resultant productivity-irradiance (P–E) curves are then used to estimate local and/or global phytoplankton production. However, there is growing evidence that these curves, referred as static, underestimate phytoplankton photosynthesis to a great deal, by assuming a stable response to light over the incubation period. One of the drawbacks of static P–E curves is the overestimation of photoinhibition.In this work, three one-dimensional vertically resolved models were developed as simply as possible, to investigate differences between static and dynamic phytoplankton productivity in three marine ecosystems: a turbid estuary, a coastal area and an open ocean ecosystem. The results show that, when photoinhibition development time is considered (dynamic model), the primary production estimates are always higher than when calculated with the static model. The quantitative importance of these differences varies with the type of ecosystem and it appears to be more important in coastal areas and estuaries (from 21 to 72%) than in oceanic waters (10%). Thus, these results suggest that primary production estimates, obtained under the assumption of a static behaviour response to light, may underestimate the real values of global phytoplankton primary production. Calculations suggest that the quantitative importance of this underestimation may be larger than the global missing carbon sink.     

Multivariate analysis of spatial patterns: a unified approach to local and global structures

We propose a new approach to the multivariate analysis of data sets with known sampling site spatial positions. A between-sites neighbouring relationship must be derived from site positions and this relationship is introduced into the multivariate analyses through neighbouring weights (number of neighbours at each site) and through the matrix of the neighbouring graph. Eigenvector analysis methods (e.g. principal component analysis, correspondence analysis) can then be used to detect total, local and global structures. The introduction of the D-centring (centring with respect to the neighbouring weights) allows us to write a total variance decomposition into local and global components, and to propose a unified view of several methods. After a brief review of the matrix approach to this problem, we present the results obtained on both simulated and real data sets, showing how spatial structure can be detected and analysed. Freely available computer programs to perform computations and graphical displays are proposed.