基于形态修正的描述符构建可电离化合物对大型溞急性毒性的QSAR模型

在环境水体中,可电离有机化合物(IOCs)可解离为分子和离子形态。研究表明,IOCs离子形态的环境行为、毒性效应等都与其分子形态存在较大差异,因而在研究IOCs环境行为、毒性效应时不应忽略离子化的影响。在构建IOCs相关预测模型时如何表征离子化的影响是当前研究的重要内容之一。探讨了采用基于形态修正的描述符构建IOCs水生毒性预测模型的可行性。具体而言,采用逐步多元线性回归(MLR)方法,构建了可预测63种取代酚、取代苯甲酸和取代苯胺等IOCs对大型溞急性毒性的定量结构-活性关系(QSAR)模型。与仅采用分子形态描述符的模型相比,使用基于形态修正描述符的模型决定系数(R2)、去一法交叉验证系数(Q2LOO)、外部验证系数(Q2EXT)等参数从0.622～0.705提高到了0.840～0.875,表明基于形态修正描述符的模型具有更好的拟合优度、稳健性和预测能力。因此,在将来的研究中,可采用基于形态修正的描述符构建IOCs水生毒性效应预测模型。     

卤代肉桂酸对羊角月牙藻的急性毒性及3D-QSAR研究

卤代肉桂酸类化合物广泛用于医药、化妆品和除草剂等生产制造,随着使用量的增加,其生态环境健康风险逐渐受到关注。为揭示该类化合物的毒性特征,选择14种卤代肉桂酸作为研究对象,考察了它们对羊角月牙藻的急性毒性效应,并应用三维定量构效相关技术(3D-QSAR)探讨化合物分子结构特征对毒性效应的影响。结果表明,14种卤代肉桂酸类化合物对羊角月牙藻急性毒性的72 h半数效应浓度(72 h-EC50)值在45.88～83.72 mg·L-1范围内,其中4-氯肉桂酸、4-溴肉桂酸等表现出较高毒性效应。3D-QSAR结果表明,该类化合物分子结构的立体场、静电场和疏水场特性对其毒性效应影响显著,在苯环结构上引入体积较大、电负性较弱及疏水性较强的取代基,将导致毒性升高。以上结果将为科学评价卤代肉桂酸类化合物潜在环境健康风险提供基础数据支撑。     

Hybrid process-criterion benchmarking methodology framework to support sustainability performance assessment and reporting

The conception, design, and implementation of sustainable development strategies in an organization aims at meeting and balancing economic, social, and environmental needs of internal and external stakeholders. While the principles and fundamentals of sustainability assist during the conception and design phases, the implementation process of management strategies – impacted directly or indirectly by internal and external factors – may identify areas of competitive advantages or challenges that would impede the projects and organizations’ performance targets. An organization is not an isolated entity and its performance is often compared against others in the market arena; therefore, assessment tools, benchmarking processes, and reporting strategies become essential for the understanding of the efforts made towards the implementation of plan, policies, and programs at the organization and project levels. A framework for a hybrid process-criterion benchmarking methodology is proposed in this paper. The framework integrates the Rank Xerox benchmarking process and the Wa-Pa-Su project sustainability rating system assessment methodology. The proposed hybrid process-criterion benchmarking methodology encourages the diversification in the development and implementation of sustainable and environmental rating systems in industry contexts (e.g., oil and gas, mining, heavy industrial, and energy) and aims for the improvement of existing sustainability performance assessment and reporting practices. It also assists the quantitative assessment process of advances and/or setbacks in sustainability performance and the implementation of continuous performance improvement programs.     

Quantitative SWOT analysis for prioritizing ecotourism-planning decisions in protected areas: Igneada case

As environmental problems and pressures on natural resources escalate, awareness building and efforts to protect natural areas have also became a major goal to ensure sustainability. Ecotourism is one of the major activities to protect natural and cultural resources, while also providing economic benefits to both local people and government. Successful ecotourism planning is a function of establishing sound goals and criteria. In this paper, we have presented the example of Igneada, Turkey, as a case to elaborate this point. Igneada a coastal town, located on the north-west Black Sea region of Turkey, was declared a national park in 2007. The park is well known for its longos forests (flooded), lagoons, endemic and endangered species, and wildlife. However, currently, unsustainable economic activities, overgrazing, and urbanization cause threats to its sensitive ecosystems. Promoting ecotourism is a sustainable approach to balance economic, social, and environmental aspects in the development of Igneada.

The aim of this study is to define a set of ecotourism criteria and propose an ecotourism vision for Igneada. The methodology in this research involves field observations and a strengths, weaknesses, opportunities and threats analysis with an Analytical Hierarchy Process. A survey study is conducted with both local people and experts to define a framework to generate a priority ranking for ecotourism-planning decision. The research generated 5 main criteria and 14 subcriteria, among which ‘Proposal of Igneada in Turkey’s 2023 Tourism Strategy Plan’ was the highest ranked opportunity for ecotourism planning and development in the town.     

蚯蚓金属硫蛋白定量PCR检测方法及其分子诊断

根据GenBank中蚯蚓(Eisenia fetida)金属硫蛋白(MT)基因序列设计合成引物,采用RT-PCR扩增出目的基因片段,将目的基因片段插入pEASY-Blunt中制备质粒标准品.通过不同梯度稀释倍数的质粒标准品,建立了目的基因MT与内参基因β-actin的SYBR Green I荧光定量RT-PCR检测方法.通过土壤染毒培养实验,将蚯蚓分别暴露于50,500,1000mg/kg 重金属Cd染毒的自然土壤中培养14,28d,研究蚯蚓体内MT mRNA转录水平的表达变化.结果表明,重组质粒测序后显示目的片段序列同源性好,证明所设计的MT、β-actin引物能成功用于蚯蚓MT mRNA的检测.两基因构建的荧光定量标准曲线线性关系分别为0.994,0.999,且PCR扩增效率也皆接近于100%.染毒实验发现,Cd可诱导蚯蚓体内MT mRNA的表达,其表达水平与Cd污染暴露呈现出剂量-效应和时间-效应关系,表明蚯蚓MT基因可作为潜在分子标志物,诊断环境中Cd污染及其暴露水平.     

A performance comparison between nonlinear similarity functions in bulk parameterization for very stable conditions

Three sets of nonlinear similarity functions for strong stability are selected to compare their performance in bulk parameterization. To uncover their advantages and disadvantages, theoretical and measurement analyses are made with four profile metrics and the Deacon number technique. Main disadvantages include the negligence of the different transfer efficiency between momentum and heat, the flux cutoff due to the upper limit in gradient Richardson number (Ri) and the ignorance of limited stability range where the dimensionless gradient functions ( and ) approach constants. Accordingly, three suggestions are made for future improvement. First, the functions for wind velocity and potential temperature should have the same function form, but with different coefficients. Second, and should approach constants only within a certain stability range. Third, the limit value in Ri should be avoided to widen their applicability in flux modeling. Furthermore, quantitative comparisons in transfer coefficients for moment and sensible heat (C _D and C _H) are made among the similarity functions in the bulk Richardson number (Ri _B) range 0 < Ri _B < 1. Generally, significant discrepancy is found, which may approach a factor of two and three at large Ri _B in C _D and C _H, respectively. Finally, a new recommendation is made to one of the three sets, mainly because of its ability to predict C _D and C _H that decrease rather slowly in very stable conditions.     

猪场土壤中5种四环素抗性基因的检测和定量（Quantification of Five Tetracycline Resistance Genes in Soil from a Swine Feedlot）

近年来由于四环素在畜禽养殖业中的大量使用,诱导了环境中四环素抗性微生物的产生,然而有关四环素抗性基因在土壤中存在、迁移和扩散的研究目前还很少.论文提取了北京一规模化养猪场周边土壤的微生物DNA,利用普通PCR检测到5种四环素抗性基因(tet(B/P)、tet(M)、tet(O)、tet(T)、tet(W)),这5种基因都属于编码核糖体保护蛋白的一类.进一步建立了定量PCR程序对这5种基因进行了定量.结果显示,除tet(T)和tet(M)含量接近外(p=0.367),其余几种基因含量之间均差异显著(p<0.05),其中tet(W)的含量最高((2.16±0.20)×108copies·g-1(干土)),比含量最低的tet(B/P)((2.89±0.54)×106copies·g-(1干土))高出约两个数量级.抗性基因tet(W)、tet(T)、tet(M)、tet(O)含量均较高,为猪场土壤中优势抗性基因.这些基因曾被报道广泛存在于猪和牛的肠道中,显示抗性基因很可能是通过基因横向转移(HGT)等机制从养殖动物体内传播到周围土壤中土著微生物体内的.论文所建立的实验方法为进一步系统研究抗生素抗性基因在土壤中的环境行为及其生态风险提供了基础.     

利用EIA生物测试法快速定量筛选环境样品中的二噁污染物

将采集的环境样品分作 3份 ,1份用于高分辨色质联用多离子检测测定二噁的毒性当量浓度 TEQ,另 2份分别用 7-乙氧基 -异吩噁唑酮 -脱乙基酶 ( EROD)活力诱导法和酶免疫法 ( Enzyme Immuno Assay,EIA)进行生物测试 .结果表明 EIA和EROD这 2种生物试验方法均具有较好的准确性和很宽的线性范围 .比较 Micro- EROD分析结果与化学分析结果以及 EIA分析结果与化学分析结果 ,发现 Micro- EROD生物试验所测得的 TEQ值均高于化学分析法的 TEQ值 .其比值 1.83～ 3.06,平均比值 2.54± 0.59.而 EIA所测得的 TEQ值与化学结果的比率 0.5～1.4,平均比率为 0.83±0.40.显然由 EIA所测得的 TEQ的平均值比由 Micro- EROD所测得的结果更接近化学分析结果 .因此 EIA法更适合于对环境样品中二噁类化合物进行快速定量筛选 .     

氯代芳香族化合物对羊角月牙藻的毒性及QSAR分析

根据氯代芳香族化合物对羊角月牙藻（Selenastrum carpricornutum）的急性毒性实验结果,运用量于化学参数分析了16种氯代芳香族化合物的结构与活性之间的关系,用逐步回归法建立了相关方程,并经逐一抽取法检验证明该方程的稳定性很好．结果表明,分子总能量TE是决定该组化合物对羊角月牙藻毒性的关键参数;另外,这组化合物对羊角月牙藻的致毒关键步骤包括传输分配过程和生化反应过程     

Ecological network and emergy analysis of urban metabolic systems: Model development,and a case study of four Chinese cities

Analysis of the structure and function of urban metabolic systems is an important goal of urban research. We used network pathways and network utility analysis to analyze the basic network structure of the urban metabolic system and the complex ecological relationships within the system, providing a new way to perform such research. Using four Chinese cities as examples, we developed an ecological network model of the urban metabolic system. By using network pathway analysis, we studied the changing relationships between metabolic length and the number of metabolic pathways, and between metabolic length and reachability. Based on the distribution of the number of metabolic pathways, we describe the basic structure and intercompartment relationships of the system. By using the sign distribution in the network utility matrix, we determined the ecological relationships and degree of mutualism between the compartments of the system. The basic components of the system consisted of the internal environment, the external environment, and the agricultural, industrial, and domestic sectors. With increasing metabolic length, the ecological relationships among the components of the system became more diverse, and the numbers of metabolic paths and their reachability improved. Although the basic network structure of the four cities was identical, the mutualism index differed. Beijing's mutualism index was superior to that of Shanghai, and much higher than those of Tianjin and Chongqing. By analyzing the structure and function of the urban metabolic system, we provide suggestions for optimizing the structure and adjusting the relationships, and propose methods for the application of ecological network analysis in future urban system research.