Homology modeling of anti-parathion antibody and its interaction with organophosphorous pesticides and analogues

The mechanism of specific recognition in pesticide immunochemistry was investigated by computer-based strategy, and a rapid method for the identification of antibody specificity was developed. Based on the previously produced anti-parathion monoclonal antibody (mAb), the DNA sequence was analyzed by polymerase chain reaction (PCR). From the translated amino acid sequences, a three-dimensional structure of the antibody was constructed by homology modeling method, and then it was coordinated by 1 ns molecular dynamics under the explicit solvent condition. The stereochemical property and folding quality were further assessed by Procheck and Profile-3D. The self-compatibility score for the antibody model was 98.7, which was greater than the low score 46.2 and close to the top score 102.6. In addition, parathion and several structural analogues were docked to the constructed antibody structure. The docking results showed that the interaction energy (-40.54 kcal/mol) of antibody-parathion complex was the lowest among all the tested pesticides, which accounted for the high specificity of the antibody to parathion and perfectly matched with the experimental data. Moreover, three residues, Phe165, Asp107 and Thr100 were recognized as the most important residues for antibody reacting with parathion. The interaction energy negatively correlated with the antibody specificity.     

Genetic connectivity of the ecosystem engineer Perumytilus purpuratus north to the 32°S southeast Pacific ecological discontinuity

Connectivity in benthic marine animals with complex life cycles occurs primarily during the pelagic larval stage and depends deterministically on oceanographic dynamics. The scale of such larval dispersal is highly uncertain due the difficulty of direct measurement and poor knowledge of larval dynamics and ocean flow variability. This study characterizes the pattern of genetic connectivity in the ecosystem engineer Perumytilus purpuratus between latitudes 23°S and 33°S, which includes the ecological discontinuity reported for many taxa north to 32°S at the southeast Pacific. The genetic discontinuity observed in P. purpuratus around 26°S is described herein while that detected at 28°S is in line with the ecological discontinuity (in coverage, recruitment and density) previously reported for this mussel between 28°S and 32°S. Both discontinuities delimitate two major gene pools upon Bayesian inferences on geographical variation of five microsatellite loci. Interestingly, marker Pepu1 was responsible for most variation between pools and was potentially under selection. In fact, inferences excluding Pepu1 produced a single gene pool (k = 1) in central-northern Chile. The IBD connectivity pattern observed among P. purpuratus beds distributed in the interval 23°S–33°S is congruent with processes driven by larval dynamics, and the dominant equatorward Humboldt Current along a coast largely unaffected by ice during the last Pleistocene glaciation. However, the selective scenario unveiled by microsatellite Pepu1 inside the 25°S–28°S ecological discontinuity is consistent with selective processes associated with specific mesoscale properties operating in this area. This study highlights the usefulness of integrating different oceanographic scales, ecological data and population genetics to better understand connectivity of benthic marine species.     

矿工个体变量与安全认识水平的关系研究

使用中国矿业大学安全管理研究所设计的安全认识测量量表（SCSS），抽样调查某矿关于38个安伞相关问题的认识，并将统计结果与事故经历、年龄、工龄、文化程度和职务等5个体变量因素进行分析。结果发现安全管理部门员工的总体安全认识水平比生产区队高（Sig．=0．006），年龄越大、工龄越长员工的总体安全认识水平也越高（Sig．分别为0．050和0．017），没有工伤经历比有过工伤经历的员对安全相关问题的看法更积极（Sig．=0．042），而文化程度、职务等变量对总体安全认识水平的影响则没有达到显著程度（Sig．分别为0．566和0．067）。论文所揭示的变量与安全认识的关系，有助于相关研究的深入。     

国外工程教育(本科)专业认证分析与借鉴

介绍国际相互承认的协议——《华盛顿协议》(WA);分析美国、德国和英国等国家工程教育(本科)专业认证机构的特点、准则和程序;揭示各国发展教育路径不同,环境与条件各异,体现的以行业为背景、以行业专家为核心的理念。同时介绍我国工程教育(本科)专业认证试点工作的状况、工作程序、通用标准和专业标准;分析工程教育(本科)专业认证的基本内涵;明确工程教育(本科)专业认证标准是指导工程教育(本科)专业发展的准绳。笔者认为,该专业认证标准对维护工程教育(本科)专业认证的权威性、保证工程教育(本科)质量、促进工程专业人才的流动有至关重要的作用。     

土壤总铬测定方法的改进

硝酸－－硫酸－－磷酸消解，高锰酸钾氧化，二苯碳酰二肼分光光度法检测土壤总铬是土壤总铬检测方法之一。文章在上述方法原理基础上通过实验进一步研究建立新方法。该方法检出限低0．075μg，灵敏度、准确度高，精度小于等于3％。新方法操作更科学，降低实验成本、省力、省时、准确、快捷。     

Effects of initial iron corrosion rate on long-term performance of iron permeable reactive barriers: Column experiments and numerical simulation

Column experiments and numerical simulation were conducted to test the hypothesis that iron material having a high corrosion rate is not beneficial for the long-term performance of iron permeable reactive barriers (PRBs) because of faster passivation of iron and greater porosity loss close to the influent face of the PRBs. Four iron materials (Connelly, Gotthart-Maier, Peerless, and ISPAT) were used for the column experiments, and the changes in reactivity toward cis-dichloroethene (cis-DCE) degradation in the presence of dissolved CaCO₃ were evaluated. The experimental results showed that the difference in distribution of the accumulated precipitates, resulting from differences in iron corrosion rate, caused a difference in the migration rate of the cis-DCE profiles and a significant difference in the pattern of passivation, indicating a faster passivation in the region close to the influent end for the material having a higher corrosion rate. For the numerical simulation, the accumulation of secondary minerals and reactivity loss of iron were coupled using an empirically-derived relationship that was incorporated into a multi-component reactive transport model. The simulation results provided a reasonable representation of the evolution of iron reactivity toward cis-DCE treatment and the changes in geochemical conditions for each material, consistent with the observed data. The simulations for long-term performance were also conducted to further test the hypothesis and predict the differences in performance over a period of 40 years under typical groundwater conditions. The predictions showed that the cases of higher iron corrosion rates had earlier cis-DCE breakthrough and more reduction in porosity starting from near the influent face, due to more accumulation of carbonate minerals in that region. Therefore, both the experimental and simulation results appear to support the hypothesis and suggest that reactivity changes of iron materials resulting from evolution of geochemical conditions should be considered in the design of iron PRBs.     

杜邦与国内企业安全管理组织结构模式对比研究

通过研究各种安全管理组织结构模式对企业安全绩效的影响,旨在找到减少伤亡率的适合于企业的安全管理组织结构模式。首先从理论上分析了杜邦各时期的安全管理组织结构模式,并把我国的安全管理组织结构模式与之对比,发现我国现存的安全管理组织结构模式严重抑制了员工在安全工作中积极主动性的发挥。然后用熵模型理论验证了我国集权式的安全管理组织结构模式在安全信息流通的时效性和准确性方面比杜邦采用的集权与分权相结合的组织结构模相比有较大差距。笔者认为,我国在安全管理组织结构的设计方面应采用分散与集中相结合模式的结论。     

基于空间信息技术的城市环境时空调控范式研究

城市环境－生态系统是高度复杂的时空复合动力学系统。通过对城市环境问题的空间动力学机制分析后，提出城市环境可持续发展时空调控的层次途径，并构造了融合遥感、地理信息系统等空间信息技术、环境建模技术、决策支持系统、人工智能等技术的城市生态－环境系统时空调控的体系框架，为城市环境管理及环境空间决策提供新的理论范。     

基于中介效应法的安全氛围对员工安全行为的影响研究

安全氛围对员工的安全生产行为会产生重要的影响.首先在相关研究成果基础上,设计了安全氛围、个体安全认知和个体安全行为关系的分析模型,包括构面维度、维度关键因子与测评工具.然后通过在一家大型建筑企业集团不同项目上的问卷调查,应用中介效应法对安全氛围、个体安全认知、个体安全行为之间相关关系进行了实证分析.研究结论包括:安全氛围对员工的安全认知、安全行为起着正向影响,安全意识、安全态度、安全参与在安全氛围和安全行为之间存在中介效应关系.这说明组织安全氛围成熟度越高,个体安全认知感越强,其对安全行为的影响作用也越大.模型设计突出了原创性和交融性,能为建筑企业安全生产管理实践提供参考.