Theoretical Design of Biodegradable Phthalic Acid Ester Derivatives in Marine and Freshwater Environments

The biodegradability of phtalic acid esters in marine and freshwater environments was characterized by their binding free energy with corresponding degrading enzymes. According to comprehensive biodegradation effects weights, the binding free energy values were converted into dimensionless efficacy coefficient using ratio normalization method. Then, considering comprehensive dual biodegradation effects value and the structural parameters of PAEs in both marine and freshwater environments, a 3D-QSAR pharmacophore model was constructed, five PAE derivatives (DBP−COOH, DBP−CHO, DBP−OH, DINP−NH₂, and DINP−NO₂) were screened out based on their environmental friendliness, functionality and stability. The prediction of biodegradation effects on five PAE derivatives by biodegradation models in marine and freshwater environment increased by 15.90 %, 15.84 %, 27.21 %, 12.33 %, and 8.32 %, and 21.57 %, 15.21 %, 20.99 %, 15.10 %, and 9.74 %, respectively. By simulating the photodegradation path of the PAE derivative molecular, it was found that DBP−OH can generate ^.OH and provides free radicals for the photodegradation of microplastics in the environment.     

Synthesis and Photophysical Properties of a Sc3N@C80‐Corrole Electron Donor–Acceptor Conjugate

Embedding endohdedral metallofullerenes (EMFs) into electron donor–acceptor systems is still a challenging task owing to their limited quantities and their still largely unexplored chemical properties. In this study, we have performed a 1,3‐dipolar cycloaddition reaction of a corrole‐based precursor with Sc₃N@C₈₀ to regioselectively form a [5,6]‐adduct ( 1 ). The successful attachment of the corrole moiety was confirmed by mass spectrometry. In the electronic ground state, absorption spectra suggest sizeable electronic communications between the electron acceptor and the electron donor. Moreover, the addition pattern occurring at a [5,6]‐bond junction is firmly proven by NMR spectroscopy and electrochemical investigations performed with 1 . In the electronically excited state, which is probed in photophysical assays with 1 , a fast electron‐transfer yields the radical ion pair state consisting of the one‐electron‐reduced Sc₃N@C₈₀ and of the one‐electron‐oxidized corrole upon its exclusive photoexcitation. As such, our results shed new light on the practical work utilizing EMFs as building blocks in photovoltaics.     

On Necessary Optimality Conditions with Higher-Order Complementarity Slackness for Set-Valued Optimization Problems

Set-Valued and Variational Analysis - We aim to establish Karush-Kuhn-Tucker multiplier rules involving higher-order complementarity slackness under Hölder metric subregularity. These rules...     

基于能力的IT基础设施评价和规划方法

IT基础设施是IT组合的基础, 其在组织范围内为IT应用和核心业务提供可靠的共享服务.IT基础设施能力关系到企业战略及BPR的成功与否,已经成为企业战略选择的一部分,甚至是企业的一种潜在的核心能力.IT基础设施与企业战略之间的对应是战略对应的一个基本问题.文章提出了基于能力的 IT基础设施评价和规划方法,并建立了基于能力的 IT基础设施评价模型和规划模型.     

硬线控制冷却工艺

研究了影响硬线性能的主要工艺参数，这些参数是决定线材最终产品质量的关键，并初步讨论了其影响规律。     

任职经济责任审计系统设计与实现

该系统严格遵照国家干部经济责任审计的有关准则与规定，能够对企事业单位、行政单位等不同部门各个层次的领导干部，从内控制度、管理、经营、财务等多方面、多角度、全方位地进行跟踪审计，客观公正、实事求是地对有关报表数据进行科学分析，恰如其分地认定干部实绩和经济责任。     

中国的传统染织纹样及其对日本染织纹样的影响

本文总结了中国与日本之间染织文化交流的历程和中国传统染织纹样的发展,分析了中国文化对日本染织纹样的影响,以及日本传统染织纹样异于中国的特点和日本风格的形成。作者认为:1.日本传统染织纹样在母题、形式、内涵和名称诸方面受到中国的影响极大;2.这种影响以唐代和宋元为甚,明代以后日本逐渐自成一家;3.被称为“和样意匠”的日本风染织纹样表现了日本独特的民族性和审美情趣,特别是日本人对色彩的特殊感觉和嗜好;4.主要是由于技术上的原因,日本在印染方面的成就高于织绣纹样方面的成就,中国则相反。     

Scanning tunnelling microscope studies of growth of RuO2（110） thin layer on Ru（0001）

This paper reports that the growth of RuO_x(110) thin layer growth on Ru(0001) has been investigated by means of scanning tunnelling microscope (STM). The STM images showed a domain structure with three rotational domains of RuO_x(110) rotated by an angle of 120℃. The as-grown RuO_x(110) thin layer is expanded from the bulk-truncated RuO_x(110) due to the large mismatch between RuO_x(110) and the Ru(0001) substrate. The results also indicate that growth of RuO_x(110) thin layer on the Ru(0001) substrate by oxidation tends first to formation of the Ru-O (oxygen) chains in the [001] direction of RuO_x(110).