团簇Co3FeP异构化反应的热力学与动力学研究

为了寻找团簇Co₃FeP的稳定性、结构和内部作用力等规律，利用密度泛函理论，在B3LYP/Lanl2dz的量化水平下对团簇Co₃FeP进行理论计算，得到5种优化构型，并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明，所有构型均为C1对称且构型的空间结构对其熵值有影响；构型的稳定性主要由金属原子与非金属原子所决定，并且在常温常压下构型1^（3）、2^（3）和3^（3）可以稳定存在，是大部分异构化反应的最终产物。因此，在实际材料的开发中，不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性，还应首先考虑对稳定构型1^（3）、2^（3）和3^（3）进行相关研究。     

实验动物行业兽医现状分析

实验动物行业中,兽医体现在实验动物相关工作中的每一个环节,包括实验动物的日常管理、动物实验的设计、实验过程中动物健康保障和护理、实验动物福利的监督和管理、动物实验技术的应用、实验动物取材、施行安死术等。通过参阅相关文献资料,结合自身工作总结,就目前实验动物兽医现状进行分析,供各位同仁以参考。     

地理国情普查地表覆盖内业解译的质量问题研究

地表覆盖内业解译是地理国情普查的一道重要工序。地理国情地表覆盖内业解译现存图斑平面位置精度不足、分类错误多种多样等普遍问题,问题突出典型。文中针对这些问题图文并茂、清晰明了的进行了说明,并从多方面分析问题产生的原因,提出加强对技术指标和采集原则的学习和理解,加强内业与外业的结合,充分发挥解译样本的作用等建议,以有效提高内业解译的质量。     

A Photoluminescent Ag10Cu6 Cluster Stablized by a PNNP Ligand and Phenylacetylides Selectively and Reversibly Senses Ammonia in Air and Water

A photoluminescent bimetallic cluster [Ag₁₀Cu₆(bdppthi)₂(C≡CPh)₁₂(MeOH)₂(H₂O)](ClO₄)₄ ( 1 , bdppthi=N,N’-bis(diphenylphosphanylmethyl)-tetrahydroimidazole} was synthesized from the PNNP type ligand bdppthi generated in-situ. Upon excitation at 365 nm, 1 exhibited strong phosphorescent emission at 630 nm, which was selectively quenched by NH₃ in air or water. The sensing of NH₃ was rapid and recoverable, with detection limits of 53 ppm (v/v) in N₂ and 21 μmol/L (0.36 ppm, w/w) for NH₃ ⋅ H₂O in water. Cluster 1 could potentially serve as a bifunctional chemical sensor for the efficient detection of ammonia in waste-gas and waste-water.     

A volatolomic approach using cerumen as biofluid to diagnose bovine intoxication by Stryphnodendron rotundifolium

An innovative volatolomic approach employs the detection of biomarkers present in cerumen (earwax) to identify cattle intoxication by Stryphnodendron rotundifolium Mart., Fabaceae (popularly known as barbatimão). S. rotundifolium is a poisonous plant with the toxic compound undefined and widely distributed throughout the Brazilian territory. Cerumen samples from cattle of two local Brazilian breeds (‘Curraleiro Pé-Duro’ and ‘Pantaneiro’) were collected during an experimental intoxication protocol and analyzed using headspace (HS)/GC–MS followed by multivariate analysis (genetic algorithm for a partial least squares, cluster analysis, and classification and regression trees). A total of 106 volatile organic metabolites were identified in the cerumen samples of bovines. The intoxication by S. rotundifolium influenced the cerumen volatolomic profile of the bovines throughout the intoxication protocol. In this way, it was possible to detect biomarkers for cattle intoxication. Among the biomarkers, 2-octyldecanol and 9-tetradecen-1-ol were able to discriminate all samples between intoxicated and nonintoxicated bovines. The cattle intoxication diagnosis by S. rotundifolium was accomplished by applying the cerumen analysis using HS/GC–MS, in an easy, accurate, and noninvasive way. Thus, the proposed bioanalytical chromatography protocol is a useful tool in veterinary applications to determine this kind of intoxication.     

Recent breakthroughs of antibacterial and antiviral protective polymeric materials during COVID-19 pandemic and after pandemic: Coating,packaging, and textile applications

The global epidemic owing to COVID-19 has generated awareness to ensuring best practices for avoiding the microorganism spread. Indeed, because of the increase in infections caused by bacteria and viruses such as SARS-CoV-2, the global demand for antimicrobial materials is growing. New technologies by using polymeric systems are of great interest. Virus transmission by contaminated surfaces leads to the spread of infectious diseases, so antimicrobial coatings are significant in this regard. Moreover, antimicrobial food packaging is beneficial to prevent the spread of microorganisms during food processing and transportation. Furthermore, antimicrobial textiles show an effective role. We aim to provide a review of prepared antimicrobial polymeric materials for use in coating, food packaging, and textile during the COVID-19 pandemic and after pandemic.     

Extended Open-Chain Polyenides as Versatile Delocalized Anion Ligands for Metal Chain Clusters

Although small cyclic- and open-chain unsaturated hydrocarbon anions such as cyclopentadienide and open-chain pentadienide are used as the strongly electron-donating auxiliary ligands for metal complexes, more extended π-conjugated unsaturated hydrocarbon anions have rarely been used in coordination chemistry, despite their potential ability to serve as the multiply bridging π-ligands for metal clusters. This work reports isolation of metal chain clusters bearing the multi-dentate, open-chain extended unsaturated hydrocarbon anion ligands. The extended open-chain π-conjugated polyenyl ligands could effectively stabilize oxidized palladium chains, including an unprecedented [Pd₄]⁴⁺ chain.     

Extraction of methyl xanthines and their UHPLC–DAD determination in consumable beverages used in Eastern province of Saudi Arabia

Coffee and tea are the most widely consumed beverages worldwide. However, the consumer may be unaware of the exact amount of methyl xanthine (MX, i.e. caffeine [C], theobromine [TB] and theophylline [TH]) consumed, as most of the products do not list the proper amounts. This may lead to serious risks including cardiovascular, kidney and stimulant effects. The aim of the study was to determine the MX amount in ready-to-use beverages (coffee and tea) collected from various outlets in the city of Al-Khobar, Saudi Arabia. Forty different samples of espresso, black coffee and red tea were collected. A fast, reliable and efficient UHPLC–DAD method was developed and validated for MX determination. Total lipids were extracted and fractionated in order to determine glycolipids, phospholipids and neutral lipids. The r² value for the method was 0.980–0.988 in a linearity range of 0.5–200 ppm. The range for MX (C [0.02–2.39 mg/ml], TB [0.00–0.10 mg/ml] and TH [0.00–0.004 mg/ml]) and total lipids was 1–5 g. The amount of glycolipids (3.1 g) was higher among the lipid fractions followed by phospholipids (1.8 g) and neutral lipids (0.25 g). In general, espresso beverages (20–30 ml) contained high amounts of MX whereas black coffee beverages contained high amount of lipids. Most of the beverages expressed C, TB, TH, lipids or their fractions; however, the product with high amounts of MX and lipids at the same time was espresso (brands Chemistry and Wogard). Although the MX and lipid levels in these beverages well below the allowed limits, care must still be taken, especially when using the beverages with high serving volumes (200–250 ml) or coffee prepared via the filter method i.e. black coffee, using a high temperature for a longer time.     

低碳经济背景下建筑行业发展路径探讨

低碳经济是人类社会发展的又一次重大进步,必将对建筑行业带来革命性的变革。在阐述低碳经济概念与内涵的基础上,分析了低碳经济对建筑行业提出的更高要求,提出了建筑行业实现低碳发展的对策与建议,以期为建筑行业发展提供思路。     

重庆汽车产业配置与地域类型

运用产业经济学和区域经济地理学的原理、结合地理学的分析方法,着重探讨了重庆汽车产业配置地域运动过程和促使其演变的原因.划分重庆汽车产业分布为四种地域类型:“嘉陵江东岸与长江北岸型”;“长江南岸型”;“嘉陵江西岸型”;“飞地型”.对重庆汽车产业配置特点,存在问题作了深入地剖析与揭示,并对今后调整作了初步的设想.