面向新能源的稀土催化材料研究进展
海波1，于涵1，魏航2，褚海斌*2
(1.内蒙古农业大学 理学院，内蒙古自治区 呼和浩特 010018；
2.内蒙古大学 化学化工学院，内蒙古自治区 呼和浩特 010021)
摘要：稀土元素基于其4f电子层的特殊排列方式，具有丰富的电子能级、多变的氧化态、独特的氧化还原能力及储氧能力，近年来在催化领域受到了研究者的关注，并展现出巨大的应用市场和发展潜力。综述了近年来含稀土元素的催化材料在生物质转化及电催化反应中的最新进展，包括甘油氧化、甲醇电氧化等反应。介绍了稀土元素提高催化反应性能的相关原因。最后讨论了稀土催化材料在设计和应用等方面面临的挑战，并对其未来的发展进行了展望。
关键词：稀土元素；催化剂；生物质转化；电催化；研究进展
中图分类号：O614.33 文献标识码：A 文章编号：0258-3283（2022）
Research Progress of Rare Earth Catalytic Materials toward New Energy HAI Bo1, YU Han1, WEI Hang2, CHU Hai-bin*2 (1. Department of Science, Inner Mongolia Agricultural University, Hohhot 010018, China; 2. College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021, China)
Abstract：Based on the special arrangement of the 4f electron layer, rare earth elements have rich electron energy levels, variable oxidation states, unique redox ability, and oxygen storage capacity. In recent years, they have attracted much attention in the field of catalytic research field and shown great application market and development potential. We provide a brief overview on rare earth elements-based catalytic materials in biomass conversion and electrocatalytic reactions, including glycerol oxidation and methanol oxidation reactions, and introduce the reasons why rare earth elements improve the catalytic performance. Finaaly, the challenges in design and application of rare earth-based catalysts are discussed, and their future development is prospected.
Key words：rare earth element; catalyst; biomass conversion; electrocatalysis; research progress
引用本文：海波，于涵，魏航，等.面向新能源的稀土催化材料研究进展[J].化学试剂，2022,44（7）：941-951.
基于近红外和中红外光谱的杜仲产地溯源
刘庭恺1，胡子康1，龙婉君1，雷光华1，王芯恬1，何杰灵1 ，杨小龙1，杨健2，付海燕*1
(1. 中南民族大学 药学院，湖北 武汉 430074；2. 中国中医科学院中药研究所，北京 100700)
摘要：杜仲是一种重要而有价值的中药，具有多种医疗功能，多年来在中国、日本和韩国等亚洲国家被广泛用作保健食品。杜仲的功效和质量与产地密切相关。采用近中红外光谱与化学计量学相结合的方法，用于简便、快速和准确地鉴别杜仲的产地。使用k-最近邻分析（kNN）、主成分分析-线性判别分析（PCA-LDA）和偏最小二乘判别分析（PLS-DA）模型对杜仲样品进行了产地来源分类。结果表明，kNN模型更适合基于近红外光谱的不同省份杜仲样品的识别，kNN模型对来自8个省份的杜仲样本在训练集和测试集上的识别率均达到100%，交叉验证识别率为100%；PLS-DA模型更适合基于中红外光谱的不同省份杜仲样品的识别，PLS-DA模型在训练集和测试集中对来自8个省份的杜仲样品的识别率分别达到99.40%和98.61%，交叉验证识别率为99.11%。该方法可以快速、准确地确定杜仲的省份来源，有望应用于市场监督领域。
关键词：杜仲；地理来源；近红外；中红外；化学计量学
中图分类号： 文献标识码：A 文章编号：0258-3283（2022）
Origin tracing of Eucommia ulmoides by Near Mid Infrared Spectroscopy Combined with Chemometrics LIU Ting-kai1, HU Zi-kang1, LONG Wan-jun1, LEI Guang-hua1, WANG Xin-tian1, HE Jie-ling1, YANG Xiao-long1, YANG Jian2, FU Hai-yan*1 (1. School of pharmacy, Central South University for nationalities, Wuhan, Hubei 430074; 2. Institute of traditional Chinese medicine, Chinese Academy of traditional Chinese medicine, Beijing 100700), 2022, 44(7), ～
Abstract: Eucommia ulmoides is an important and valuable traditional Chinese medicine with a variety of medical functions. It has been widely used as health food in Asian countries such as China, Japan and South Korea for many years. Its efficacy and quality are closely related to its origin. In this paper, a simple, rapid, and accurate identification of the origin of Eucommia ulmoides from different provinces was studied by the combination of near-infrared spectroscopy and chemometrics. The provincial origin of Eucommia ulmoides Oliv samples were classified by k-nearest neighbor analysis (kNN), principal component analysis, linear discriminant analysis (PCA-LDA) and partial least squares discriminant analysis (PLS-DA). The results show that kNN model is more suitable for the identification of Eucommia ulmoides samples from different provinces based on near-infrared spectroscopic analysis. The recognition rate of kNN model on the training set and test set of Eucommia ulmoides from 8 provinces is 100%, and the recognition rate of cross validation is 100%; PLS-DA model is more suitable for the identification of Eucommia ulmoides samples from different provinces based on mid infrared spectral analysis. The recognition rates of PLS-DA model for Eucommia ulmoides samples from 8 provinces in training set and test set are 99.40% and 98.61%, respectively, and the recognition rate of cross validation is 99.11%. Our current method can quickly and accurately determine the provincial source of Eucommia ulmoides, and is expected to be applied to the field of market supervision.
Key words: eucommia ulmoides; geographical origin; near infrared; mid infrared; chemometrics
引用本文：刘庭恺 ，胡子康，龙婉君，等. 基于近红外和中红外光谱的杜仲产地溯源[J]. 化学试剂，2022，44（7）：952-959.
天然产物及其有效成分在化妆品领域的研究与开发
尹德航，施乐洋，叶雨涵，陈丹，王郅炫，高文超*
（太原理工大学 生物医学工程学院，山西 太原 030024）
摘要：由于人们对颜值和美貌的需求，化妆品一直是人类文明中的重要研究领域和开发对象。在当代社会，随着人们对化妆品天然、绿色、安全性的需要日益提高，对化妆品的研究开发越来越关注于天然来源的动植物提取物及其有效成分，而这些有效成分的结构特点又与化妆品本身的功能性息息相关。根据化妆品的调色增彩、防晒美白、消炎抗菌、营养保湿、防衰抗氧化、附香除臭的六大功能性，列举了常用的几种天然产物有效成分，并从相关成分的化学结构入手对其产生的功能特点进行了阐述，为进一步开发天然产物在日用化学品中的应用提供参考。
关键词：天然产物；化妆品;活性成分;功能性；研究
中图分类号: O629 文献标识码: A 文章编号:0258-3283（2022）--
Research and Application of Natural Products and the Related Components in Cosmetic IndustryYIN De-hang, SHI Le-yang, YE Yu-han, CHEN Dan, WANG Zhi-xuan, GAO Wen-chao*(School of Biomedical Engineering, Taiyuan University of Technology, Taiyuan 030024, China), Huaxue Shiji，2022, 44（7）,~
Abstract：Due to the pursuit of good-looking and beauty, cosmetics hasbeen always an important research area and object in the civilization. In modern society, with the increasing demand of the natural, green and security cosmetics, the exploration and research on cosmetics has been mainly focused on the extraction and the corresponding major components of natural products, of which the structural characters have vital relationships with their functions. This article summarized six functions of cosmetics, including color adjusting, sunscreen and whitening, anti-inflammatary and antibacterial, moisturizing, anti-aging and anti-oxidants, and odor diffusing. Furthermore, according to these functions, representative natural products and the corresponding major components were classified, and the features and relationships between structures and functions were also illustrated to provide some hits for the application and exploration of natural products in cosmetic industry.
Key words: natural products; cosmetics; active compound; function；research
引用本文：尹德航，施乐洋，叶雨涵，等. 天然产物及其有效成分在化妆品领域的研究与开发[J]. 化学试剂，2022, 44（7）：960-967.
水中抗病毒药物前处理技术及检测方法的研究进展
武英欣1，黄跟平*2，邹红艳*1
(1.天津师范大学 天津市水资源与水环境重点实验室，天津 300387；
2.天津大学 理学院 化学系，天津 300072)
摘要：抗病毒药物是一类广泛用于预防和治疗病毒感染的药物，由于其药物活性较强，易导致水体生物耐药性，对水环境有着不容忽视的潜在危害，近年来逐渐引起人们的关注。通过考察世界范围内抗病毒药物在地表水和污水中的相关研究，归纳总结了抗病毒药物的水样前处理技术和仪器分析方法。结果表明，固相萃取被广泛用于水样中抗病毒药物的富集，同时一些更简单快速的萃取技术如悬浮液滴凝固微萃取和中空纤维液相微萃取也在不断的发展中。分析检测主要采用液相色谱-质谱联用技术，通过反相C18或C8色谱柱以及酸性流动相的条件下进行一系列分析方法的开发和建立。目前抗病毒药物的研究相对有限，有35种抗病毒药物建立了相应的水样分析检测方法，以阿昔洛韦、拉米夫定、齐多夫定、奈韦拉平、奥司他韦为主。未来需要进一步加强水样中抗病毒药物的检测，提高分析方法的灵敏度，研究抗病毒药物的环境行为以及生态毒性，优化污水处理厂处理技术从而减少抗病毒药物的排放。
关键词：抗病毒药物；地表水；污水；分析方法
中图分类号：O657.7 文献标识码：A 文章编号：0258-3283（2022）
Recent Progress on Pretreatment and Analytical Methods for Determining Antiviral Drugs in Water WU Ying-xin1, HUANG Gen-ping2, ZOU Hong-yan*1 (1. Key Laboratory of Water Resources and Environment, Tianjin Normal University, Tianjin 300387, China; 2. Department of Chemistry, School of Science, Tianjin University, Tianjin 300072), Huaxue Shiji, 2022,
Abstract：Antiviral drugs have been widely used in the prevention and treatment of viral infection. Because of their strong drug activity, they cause easily biological drug resistance in water and have potential harm to the water environment. They have been gradually paid much attention in recent years. This paper summarizes pretreatment technology and instrumental analysis methods on investigations of antiviral drugs in surface water and sewage all over the world. The results show that solid phase extraction has been widely used for the enrichment of antiviral drugs in water samples. At the same time, some simpler and faster extraction technologies such as suspension droplet coagulation microextraction and hollow fiber liquid phase microextraction are also developing. A series of analytical methods have been developed and established by liquid chromatography-mass spectrometry with reversed-phase C18 or C8 chromatographic columns and acidic mobile phase. At present, studies on antiviral drugs are relatively limited. Only analysis and detection methods for water samples containing 35 antiviral drugs, mainly including acyclovir, lamivudine, zidovudine, nevirapine, and oseltamivir, have been established. In the future, it is necessary to further strengthen the detection of antiviral drugs in water samples, improve the sensitivity of analytical methods, to study the environmental behavior and ecological toxicity of antiviral drugs, and to optimize the treatment technology of sewage treatment plant, reducing the discharge of antiviral drugs.
Key words：antiviral drug; surface water; wastewater; analytical method
引用本文：武英欣,黄跟平,邹红艳. 水中抗病毒药物前处理技术及检测方法的研究进展[J]. 化学试剂, 2022,44（7）：968-978.
天然甘草酸基功能材料研究进展
唐宁，胡君*
（北京化工大学 北京软物质科学与工程高精尖创新中心，北京 100029）
摘要：为实现2030年“碳达峰”、2060年“碳中和”的远景目标，开发新型生物基原料已成发展绿色可持续材料的重要原动力之一。作为传统中药甘草的主要活性成分，天然甘草酸由疏水的甘草次酸和亲水的葡萄糖醛酸经糖苷键连接而成，具有优异的表面活性、自组装性、内在还原性、刚性骨架、多反应位点以及生物相容性，是生物基材料的理想构筑基元。综述了近5年来甘草酸在添加剂、凝胶和树脂功能材料中的研究进展，详细介绍了甘草酸在制备食品级乳液和泡沫稳定剂、农药助剂、3D打印材料、刺激响应性材料、催化剂载体、柔性可穿戴应变传感器及类玻璃高分子中的作用机制和应用前景，并展望了其未来发展趋势。
关键词：生物基材料；甘草酸；添加剂；凝胶；类玻璃高分子
中图分类号：TQ28 文献标识码：A 文献编号：0258-3283（2022）
Research Process of Natural Glycyrrhizic Acid-based Functional Materials TANG Ning, HU Jun* (Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China), Huaxue Shiji, 2022,44（7）
Abstract: In order to achieve the long-term goal of "peak carbon dioxide emissions" by 2030 and "carbon neutrality" by 2060, the development of novel bio-based raw materials has become one of the important driving forces for the green and sustainable materials. As a main active component of traditional Chinese medicine liquorice, glycyrrhizic acid (GL) consists of hydrophobic glycyrrhetinic acid and hydrophilic glucuronic acid linked by a glycosidic bond is an ideal building block for the fabrication of bio-based materials due to its good surface activity, self-assembly, intrinsic reducibility, rigid skeleton, multiple reaction sites, and biocompatibility. This paper reviews the research progress of glycyrrhizic acid-based additives, gel and resin functional materials in recent five years, especially its function mechanisms and potentials in the fields of food grade emulsions and foam stabilizers, pesticide additives, 3D printing materials, stimulus-responsive materials, catalyst carriers, flexible wearable strain sensors, and vitrimers, and prospects its development trends in the future．
Key words: bio-based material; glycyrrhizic acid; additive; gel; vitrimer
引用本文：唐宁, 胡君. 天然甘草酸基功能材料研究进展[J]. 化学试剂, 2022, 44（7）：979-989.
稠环与非稠环芳烃对大鼠致癌性的定量构效关系研究
李非凡1，范腾蛟1,2，孙国辉*1，赵丽娇1，钟儒刚1
（1.北京工业大学 环境与生命学部 环境与病毒肿瘤学北京市重点实验室，北京 100124;
2.北京医药职工大学 医学技术系，北京 100079)
摘要：稠环与非稠环芳烃（FNFAHs）的致癌性与人类的健康密切相关。用传统实验测试方法进行毒理学研究成本昂贵、耗时，且涉及伦理问题。因此，用于致癌性预测的定量构效关系（QSAR）等计算机替代方法受到了监管机构的广泛关注。根据严格的OECD指南，基于2D分子描述符采用遗传算法（GA）结合多元线性回归（MLR）方法建立了FNFAHs对雌性大鼠、雄性大鼠和大鼠的致癌性QSAR模型，所有模型均通过国际广泛接受的内部和外部验证指标，并进行应用域(AD)分析。同时，机理解释确定了结构信息（描述符）和致癌性之间的详细关系。此外，还首次应用所建立的模型预测了没有实验值的真实外部集化合物的致癌效力。就监管目的而言，所构建的模型在其AD内可用于预测新的或未经测试的FNFAHs的致癌性。
关键词：稠环与非稠环芳烃；致癌性；替代方法；定量构效关系；风险评估
中图分类号：R99 文献标识码：A 文章编号：
QSAR Modeling on Carcinogenicity of Fused and Non-fused Aromatic Hydrocarbons (FNFAHs) Toward Rats LI Fei-fan1, FAN Teng-jiao1,2, SUN Guo-hui*1, ZHAO Li-jiao1, ZHONG Ru-gang1 (1. Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, China; 2. Department of Medical Technology, Beijing Pharmaceutical University of Staff and Workers, Beijing 100079, China), Huaxue Shiji, 2022, 44(7)
Abstract: The carcinogenicity of fused and non-fused aromatic hydrocarbons (FNFAHs) is closely related to human health. Traditional, experimental testing methods for toxicology research are expensive, and time-consuming and involve ethical issues. Therefore, in silico alternative methods such as the quantitative structure-activity relationship (QSAR) for the carcinogenicity prediction have attracted extensive attention from regulatory agencies. In this study, we established QSAR models of carcinogenicity of FNFAHs to female rats, male rats and rats by using genetic algorithm (GA) and multiple linear regression (MLR) based on 2D molecular descriptors in accordance with strict OECD guidelines. All models were validated using internationally accepted internal and external validation indicators, and applicability domain (AD) analysis was performed to define a reliable extrapolated chemical space. Meanwhile, the mechanism interpretation determines the detailed relationship between structural information (descriptor) and carcinogenicity. In addition, we applied the established models for the first time to predict the carcinogenic potency of real external set compounds without experimental values. In conclusion, for regulatory purposes, the models constructed in this study can be used to predict the carcinogenicity of new or untested FNFAHs with their AD.
Key words: fused and non-fused aromatic hydrocarbons (FNFAHs); carcinogenicity; alternative method; QSAR; risk assessment
引用本文：李非凡，范腾蛟，孙国辉，等.稠环与非稠环芳烃对大鼠致癌性的定量构效关系研究[J].化学试剂，2022，44(7):990-1000.
曲酸类酪氨酸酶抑制剂研究进展
何敏a,b，凡美艳a,b，杨维a,b，冯倩倩a,b，马雪c，李勇军c，王广成*a
（贵州医科大学 a. 贵州省药物制剂重点实验室/省部共建药用植物功效与利用国家重点实验室，
b. 药学院，c. 民族药与中药开发应用教育部工程研究中心 贵州 贵阳 550004）
摘要：曲酸是由曲霉属和青霉属等多种真菌发酵而产生的一类有机酸，具有抗细菌、抗真菌、抗氧化和抗酪氨酸酶等多种生物活性。由于曲酸具有突出的抗酪氨酸酶活性，广泛应用于食品、化妆品、医药等领域。国内外学者以其为先导化合物，进行了大量的结构修饰和改造研究。根据曲酸骨架结构修饰和改造的位置进行分类，介绍近年来文献报道具有抗酪氨酸酶活性的曲酸衍生物，以期为后续研发低毒、高效的新型曲酸类酪氨酸酶抑制剂提供参考。
关键词：曲酸；结构修饰；研究进展；酪氨酸酶抑制剂；衍生物
中国分类号: R914； 文献标记码: A 文章编号：0258-3283（2022）
Research Progress of Kojic Acid Derivatives as Tyrosinase Inhibitors HE Mina,b, FAN Mei-yana,b, YANG Weia,b, FENG Qian-qiana,b, MA Xuec, LI Yong-junc, WANG Guang-cheng *a (a. State Key Laboratory of Functions and Applications of Medicinal Plants, Guizhou Provincial Key Laboratory of Pharmaceutics; b. Teaching and Research Section of Natural Medicinal Chemistry, School of Pharmacy; c. Engineering Research Center for the Development and Application of Ethnic Medicine and TCM (Ministry of Education), Guizhou Medical University, Guiyang 55004, China), Huaxue Shiji, 2022, 44（7）， ～
Abstract: Kojic acids are a kind of organic acids produced by the fermentation of Aspergillus and Penicillium, which displayed a variety of biological activities such as antibacterial, antifungal, antioxidant, and anti-tyrosinase. Kojic acids have been widely used in food, cosmetics, medicine, and other fields due to their outstanding anti-tyrosinase activity. Various structural modification and transformation studies have been conducted with kojic acids as the lead compounds in domestic and oversea. To provide a reference for the subsequent development of new kojic acid derivatives as tyrosinase inhibitors with low toxicity and high efficiency, this paper reviewed kojic acid derivatives with tyrosinase inhibition activity reported in the literature in recent years and classified these derivatives according to the modified position of the kojic acid skeleton.
Key words: kojic acid; structural modification; research progress; tyrosinase inhibitor；derivatives
引用本文：何敏, 凡美艳, 杨维, 等. 曲酸类酪氨酸酶抑制剂研究进展[J]. 化学试剂, 2022, 44（7）：1001-1011.
酸催化基于环己二烯衍生物的转移氢化反应研究进展
周新悦，王晓晨*
（南开大学 化学学院，天津 300071）
摘要：催化氢化反应是有机合成化学的一类重要反应，除直接使用氢气作为氢化试剂外，一些转移氢化试剂同样具有广泛的应用。环己二烯衍生物作为转移氢化试剂，与常见的转移氢化试剂Hantzsch酯相似，离去两个氢原子后可形成芳烃产物使体系的能量降低，同时离去的氢可以完成与不饱和底物的加成。对环己二烯衍生物参与的转移氢化反应进行综述，根据所使用的催化剂类型（有机硼路易斯酸、Brønsted酸以及金属路易斯酸）分类，简要介绍反应机理和底物适用性，并对反应创新性和局限性进行了总结。
关键词：催化氢化；转移氢化；酸催化；环己二烯
中图分类号：O624.1 文献标识码：A 文章编号：0258-3283(2022)--
Progess of Acid-catalyzed Transfer Hydrogenation with Cyclohexadienes ZHOU Xin-Yue, WANG Xiao-Chen* (College of Chemistry, Nankai University, Tianjin 300071), Huaxue Shiji, 2022, 44(7)
Abstract：Catalytic hydrogenation is an important reaction in organic synthesis. In addition to direct hydrogenation using hydrogen gas, transfer hydrogenation also has a wide range of applications. As a class of transfer hydrogenation reagents, cyclohexadienes are similar to the commonly used Hantzsch esters. After elimination of two hydrogen atoms, aromaticity can be restored, which reduces the energy of the system, whereas the leaving hydrogen atoms can add to unsaturated bonds. In this paper, the transfer hydrogenation reactions involving cyclohexadienes are reviewed. According to the types of catalysts used (boron Lewis acids, Brønsted acids, and metal Lewis acids), their reaction mechanisms and substrate scopes are discussed.
Key words: catalytic hydrogenation; transfer hydrogenation; acid catalysis; cyclohexadienes
引用本文：周新悦，王晓晨.酸催化的基于环己二烯衍生物的转移氢化反应[J].化学试剂，2022,44（7）：1012-1019.
生物样品中短链脂肪酸的分析方法研究进展
麦子盈1,2，覃思意1,3，李莎莎*1,2,4，黄文静1,2，李冰3,4，何永宁1，贾彬1，王乐琪1,2，严诗楷1,2,3,4，肖雪*1
（1. 广东药科大学 中医药研究院 中药学院 广东省代谢病中西医结合研究中心，广东 广州 510006；
2. 广州中医药大学第二附属医院，广东 广州 510120；
3. 上海交通大学 药学院，上海 2002404.；4. 中药制药共性技术国家重点实验室，山东 临沂 276000）
摘要: 短链脂肪酸（Short-Chain Fatty Acids, SCFAs）是膳食纤维在肠道中经微生物代谢后的主要终产物，是肠道微生物与宿主间重要的信息传递使者。SCFAs作为关键介质直接或间接在机体多个器官和组织中发挥着重要的生理作用，其准确定量对于研究生物体内SCFAs的产生、变化规律，对于揭示肠道微生物与人类健康之间复杂关系具有重要的意义。SCFAs在人体内分布广泛，具有分子量小、易挥发、紫外吸收弱等特点，且不同生物样品之间种类及含量相差较大，因此，SCFAs分析检测方法一直是研究的难点。在系统介绍SCFAs的来源、种类及分布的基础上，对其常用的分析检测方法进行总结，以期为进一步开发高效和灵敏的SCFAs分析方法提供参考。
关键词：短链脂肪酸；生物样品；前处理技术；检测方法；
中图分类号：R917 文献标识码：A 文献编号：0258-3283（2022）
Progress of Analytic Methods for Short-Chain Fatty Acids on Biological Samples MAI Zi-ying1,2, QIN Si-yi1,3, LI Sha-sha*1,2,4, HUANG Wen-jing1,2, LI Bing3,4, HE Yong-ning1, JIA Bin1, WANG Le-qi1,2, YAN Shi-kai1,2,3,4, XIAO Xue*1 (1. Institute of Traditional Chinese Medicine, School of Traditional Chinese Medicine, Guangdong Metabolic Disease Research Center of Integrated Chinese and Western Medicine, Guangdong Pharmaceutical University, Guangzhou 510006, China; 2. The Second Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou 510120; 3. School of Pharmacy，Shanghai Jiao Tong University，Shanghai 200240，China; 4. State Key Laboratory of Generic Manufacture Technology of Chinese Traditional Medicine, Linyi 276000, China), Huaxue Shiji, 2022, 44(7), ～
Abstract: Short-chain fatty acids (SCFAs) are the major end products of intestinal microbial metabolism of dietary fiber, as well as important information messengers between host and intestinal microbes. SCFAs play important physiological roles as key mediators in various organs and tissues of the body. Therefore, accurate determination of SCFAs has great significance for studying the production, transformtion of SCFAs in organisms, and revealing the intricate relationship between colonic microbes and human health. However, SCFAs have properties of low molecular weight, volatile, and weak ultraviolet absorption, and SCFAs are widely distributed in the human body, and the species and content in different biological samples differ greatly. Thus, the detection and analysis of SCFAs are always crucial and difficult issues. This paper comprehensively summarizes the analytical methods of SCFAs based on the overview of the sources and types of short-chain fatty acids, to give a reference for the further development of efficient and sensitive SCFAs analytic methods.
Key words: short-chain fatty acids (SCFAs); biological sample; pretreatment technology; detection method
引用本文：麦子盈, 覃思意, 李莎莎, 等. 生物样品中短链脂肪酸的分析方法研究进展[J]. 化学试剂, 2022, 44(7)：1020-1027.
葡萄籽-菊花-三七复合物的急毒、遗传毒性及长期毒性研究
张佳a,b，杨静*a,b
（西北大学 a.化工学院，b.西北大学生物医药研究院，陕西 西安 710069）
摘要：以葡萄籽-菊花-三七复合物为研究对象，依据食品安全性毒理学评价程序和方法（GB 15193-2014）进行急毒、遗传毒性以及长期毒性评价，为三者复配的安全应用提供实验参考。结果表明，小鼠急性经口毒性试验中最大耐受剂量（MTD）> 15.0 g/kg·BW，属无毒级别。三项遗传学毒性试验结果显示均为阴性，没有发现致突变作用，说明葡萄籽-菊花-三七复合物无遗传学毒性。大鼠28 d喂养试验中，各剂量组（4.0、2.0和1.0 g/kg·BW）试验动物生长状况良好，动物体重、动物进食量以及食物利用率、血液学和血清生化学、大鼠脏器系数等指标与空白对照组相比均无显著性差异，且大鼠组织经解剖检测均未见明显的病理组织学异常。综上所述，葡萄籽-菊花-三七复合物无可见毒副作用，具有较高的食用安全性。
关键词：葡萄籽；菊花；三七；复配配方；毒理学；安全性；
中图分类号：R9 文献标识码：A 文章编号：0258-3283（2022）
Study on Acute, Genetic and Long-Term Toxicities of Grape Seed-Chrysanthemum-Panax Notoginseng Complex ZHANG Jiaa,b, YANG Jing*a,b (a.School of Chemical Engineering, b. Biotech. & Biomed. Research Institute, Northwest University), Huaxue Shiji, 2022,
Abstract: The toxicology and safety of grape seed, chrysanthemum, and notoginseng extracts were evaluated to provide the scientific basis for their safe combined applications. Acute oral, genetic, and 30-day oral toxicity tests were performed according to the national standard of “Procedure and methods of food safety toxicological assessment” (GB 15193-2014). The maximum tolerated dose (MTD) in the acute oral toxicity test was more than 15.0 g/kg·BW in mice, indicating grape seed-chrysanthemum-panax notoginseng complex was non-toxic. In the three genotoxicity tests of ames test, the micronucleus test of mice erythrocyte and mouse spermatocyte chromosomal aberration test, the results were all negative, and no mutagenic effect was found, indicating that grape seed-chrysanthemum-panax notoginseng complex has no genotoxicity. In the 28-day oral toxicity test, the rats in each group (1.0, 2.0 and 4.0 g/kg·BW) grew well, and there were no significant differences in body weight, food intake, food utilization efficiency, hematology and serum biochemistry, organ/body weight ratio comparing with the blank control group. And no obvious histopathological changes were found. All the toxicology data from this research verified that the grape seed-chrysanthemum-panax notoginseng complex was safe and non-toxic with good edible safety.
Key words: grape seed; chrysanthemum; panax notoginseng; compound formula; toxicology; safety
引用本文：张佳, 杨静. 葡萄籽-菊花-三七复合物的急毒、遗传毒性及长期毒性研究[J]. 化学试剂, 2022, 44（7）：1028-1035.
磷掺杂镍铁氮碳材料的制备及其锌空气电池应用研究
马莽1，李宗阁2，张国新*2
(1.中国石化集团南京化学工业有限公司，江苏 南京 210048；
2.山东科技大学 储能技术学院，山东 青岛 266590）
摘要：以氯化亚铁、2-(三苯基膦)溴化镍（TMP）为金属源，以甲酰胺中的氮原子、2-(三苯基膦)溴化镍中的磷原子为杂原子掺杂源，采用水热及后续高温焙烧的方法，合成了磷掺杂镍铁氮碳材料（P-NiFe-NC），构建了相比无磷掺杂的镍铁氮碳（NiFe-NC）更高活性的多孔磷掺杂镍铁氮碳材料。所制备的P-NiFe-NC材料表现出较高的氧气还原反应（ORR）活性，如在碱性介质中ORR半波电位高达0.868 V。此外，该材料组装的锌空气电池具有出色的比功率密度和优秀的循环稳定性。
关键词：过渡金属；碳材料；氧气还原反应；锌空气电池
中图分类号：O646 文献标识码：A 文章编号：0258-3283(2022)--
Preparation of Phosphorus-Doped Nickel-Iron-Nitrogen-Carbon Material and Its Zinc-Air Battery Application MA Mang1, LI Zong-ge2, ZHANG Guo-xin2* (1. SINOPEC Nanjing Chemical Industries Co., Ltd., Nanjing 210048, China; 2. Department of Energy Storage Technology, Qingdao 266590, China), Huaxue Shiji, 2022,
Abstract: Ferrous chloride and bis(triphenylphosphine) nickel bromide (TMP) were used as the metal sources and the nitrogen in formamide and phosphorus in bis(triphenylphosphine) nickel bromide were applied, respectively, as the heteroatom doping sources, realizing the efficient synthesis of phosphorus-doped nickel-iron-nitrogen carbon (P-NiFe-NC) material through using the combined hydrothermal and subsequent pyrolysis methods. Highly active sites were constructed on porous phosphorus-doped binary metal-nitrogen-carbon materials in comparison with the corresponding phosphorus-free material. The prepared P-NiFe-NC material exhibited very high ORR activity, realizing a very high ORR half-wave potential of 0.868 V in alkaline medium. In addition, the P-NiFe-NC material-assembled zinc-air battery possessed a large specific power density and extraordinary cycling stability.
Key words: transition metal; carbon materials; oxygen reduction reaction; zinc-air battery
引用本文：马莽, 李宗阁, 张国新. 磷掺杂镍铁氮碳材料的制备及其锌空气电池应用研究[J]. 化学试剂, 2022,44（7）：1036-1043.
农田土壤中有机磷酸酯的污染状况及健康风险研究进展
王涛，张虹*，王耀强，李旖曦，张勇，韩永和*
（福建师范大学 环境科学与工程学院 福建省污染控制与资源循环利用重点实验室，福建 福州 350007）
摘要：随着溴代阻燃剂的被禁用或限制使用，有机磷酸酯（Organophosphate Esters，OPEs）已成为其主要替代品被广泛应用于各类商业及工业产品。由于OPEs具有毒性且容易释放到环境中，引起了诸多关注。目前已在多种环境基质中发现了OPEs的存在，其中土壤被认为是OPEs的主要赋存介质，而农田土壤与人类的食物链关系密切，其污染问题值得重视。从农田土壤的角度出发，分析了OPEs的主要来源、分布情况和植物的吸收、转运、代谢以及对人体暴露的影响。结果显示，农田土壤中OPEs对人体健康构成的绝对风险不高，但OPEs在土壤环境中持续积累会对人体产生潜在威胁，因此有必要进一步探讨其环境行为及其健康风险。
关键词：有机磷酸酯；农田土壤；污染分布；人体暴露；健康风险
中图分类号：X5 文献标识码：A 文章编号：
Pollution Situation and Health Risk Assessment of Organophosphate Esters in Farmland Soil: A review WANG Tao, ZHANG Hong*, WANG Yao-qiang, LI Yi-xi, ZHANG Yong, HAN Yong-he* (Fujian Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Fujian Normal University, Fuzhou 350007, China)
Abstract: With the access to brominated flame retardants being banned or restricted, organophosphate esters (OPEs) have been widely used as the main substitutes in a variety of commercial and industrial products. They have raised great concern because of their toxicity and easy release into the environment. At present, OPEs have been found in various environmental substrates, among which soil is considered to be the main sink of OPEs. Farmland soil is closely related to human food chain, and its pollution problem deserves attention. This paper analyzes the main source and distribution of OPEs, as well as the uptake, translocation and metabolism of plants and their impact on human exposure from the perspective of farmland soil. The results showed that the absolute risk of OPEs to human health in farmland soil was not high, but the continuous accumulation of OPEs in soil environment would cause potential threats to human health, so it is necessary to further explore the environmental behavior and health risks of OPEs.
Key words: organophosphate esters; farmland soil; pollution distribution; human exposure; health risks
引用本文：王涛，张虹，王耀强，等.农田土壤中有机磷酸酯的污染状况及健康风险研究进展[J].化学试剂，2022,44（7）：1044-1053.
吗啉类衍生物的合成与HIV-1蛋白酶抑制活性的研究
杨帆1，周慧宇2，王玉成2，朱梅*2
(1. 海军军医大学第三附属医院，上海 201805；
2. 中国医学科学院 北京协和医学院药生物技术研究所，北京 100050)
摘要：为探索有效的抗HIV-1活性化合物，通过开环反应、磺酰基取代反应、还原反应、氧化反应、脱Boc保护基反应、甲氨基取代反应、酰胺缩合反应等步骤设计合成7个吗啉类目标化合物，并经1HNMR 、13CNMR和HR-MS进行结构确证。利用荧光共振能量转移方法进行体外HIV-1蛋白酶抑制活性评价，该类化合物显示出一定的HIV-1蛋白酶抑制活性。其中化合物(R)-N-((2S, 3R)-3-羟基-4-((4-羟基-N-异丁基苯基)磺酰胺基)-1-苯基丁烷-2-基)吗啉-3-甲酰胺的IC50值为30.23 nmol/L，同时分子对接结果揭示了该化合物与HIV-1蛋白酶可能的结合模式，为该类化合物的进一步优化改造提供了依据。
关键词：吗啉类衍生物；合成；HIV-1蛋白酶；抑制活性；分子对接
中图分类号：R914 文献标识码：A 文章编号：0258-3283（2022）
Synthesis and Biological Evaluation of Morpholine Derivatives with Potency against HIV-1 Protease YANG Fan1, ZHOU Hui-yu2, WANG Yu-cheng2, ZHU Mei*2 (1. The Third Affiliated Hospital of Naval Medical University, Shanghai 201805, China; 2. Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China), Huaxue Shiji, 2022, 44(7), ～
Abstract: For the aim of exploring compounds with activity against HIV-1, seven HIV-1 protease inhibitors containing the morpholine core were designed and synthesized via reactions of the ring opening, sulfonyl substitution, reduction, oxidation, deprotection of the Boc-protecting group, methylamino substitution, and the amide condensation. Their structures were confirmed by 1HNMR, 13CNMR, and HR-MS. In addition, the HIV-1 protease inhibitory activity assay was conducted using the fluorescence resonance energy transfer method. The results indicated that these compounds exhibited certain enzymatic inhibitory activity, compound (R)- N-((2S,3R)-3-hydroxy-4-((4-hydroxy-N-isobutylphenyl)sulfonamido)-1-phenylbutan-2-yl)morpholine-3-carboxamide with the IC50 value of 30.23 nmol/L. Meanwhile, the molecular modeling study furnished the possible binding feature of this compound and the protease, which provided basis for further optimization of this kind of compounds.
Key words: morpholine derivatives; synthesis; HIV-1 protease; inhibition; molecular docking
引用本文：杨帆，周慧宇，王玉成，等. 吗啉类衍生物的合成与HIV-1蛋白酶抑制活性的研究[J]. 化学试剂，2022，44（7）：1054-1062.
二硫化钼的制备及其电化学传感应用研究进展
孙誉铢，张立兵*，张瑞中*
（天津大学 理学院 化学系，天津 300072）
摘要：随着社会的不断发展和进步，食品安全、环境保护、生物反恐、临床检验等领域对快速、高灵敏和高选择性检测样品的传感器件的需求不断增加。电化学传感器可实现快速、灵敏、简便、低成本和在线检测，而纳米材料的电化学信号检测放大作用为提高电化学传感器性能提供了极大动力。二硫化钼（MoS2）因其独特的带隙和结构以及优异的性能而被广泛应用于多个领域，是目前研究人员讨论热度最高的纳米材料之一。首先详细总结了二硫化钼的“自上而下”和“自下而上”两大类制备方法，接着重点总结了二硫化钼及其复合材料在生物分子、药物分子以及环境污染物的电化学传感器构建方面的应用研究，最后对基于二硫化钼及复合材料在电化学传感方面所面临的机遇和挑战进行了讨论。
关键词：二硫化钼；纳米材料；复合材料；电化学传感
中图分类号：O646 文献标识码：A 文章编号：0258-3283（2022）
Progress in Preparation of Molybdenum Disulfide and its Application in Electrochemical Sensors SUN Yu-Zhu, ZHANG Li-Bing*, ZHANG Rui-Zhong* (Department of Chemistry, School of Science, Tianjin University, Tianjin 300072, China), Huaxue Shiji, 2022, 44(7)
Abstract：With the continuous development and progress of society, the demand for fast, highly sensitive and highly selective sensors for sample detection is increasing in food safety, environmental protection, bioterrorism, clinical laboratory and other fields. Electrochemical sensors can achieve rapid, sensitive, simple, low-cost and on-line detection, and the electrochemical signal detection amplification of nanomaterials provides a great power to improve the performance of electrochemical sensors. Molybdenum disulfide (MoS2) has been widely used in many fields due to its unique band gap, structure and excellent properties. It is one of the most popular nanomaterials discussed by researchers at present. In this review, we first summarized the "top-down" and "bottom-up" preparation methods of molybdenum disulfide in detail, and then summarized its application and composite materials in the construction of electrochemical sensors for biomolecules, drug molecules and environmental pollutants. Finally, the opportunities and challenges in electrochemical sensing based on MoS2 and composite materials are discussed.
Key words：molybdenum disulfide; nanomaterial; composite material; electrochemical sensing
引用本文：孙誉铢, 张立兵, 张瑞中.二硫化钼的制备及其电化学传感应用研究进展[J].化学试剂, 2022, 44（7）：1063-1070.
非晶合金在水处理应用中的研究进展
梁雄，张振轩*，马将*
（深圳大学 机电与控制工程学院，广东 深圳 518060）
摘要：非晶合金又称金属玻璃，是属于能量状态丰富的非平衡态亚稳材料。开发非晶合金新的功能性应用是当前材料科学及工程领域的研究前沿及热点。由于非晶合金的高导电性、抗腐蚀性以及良好的生物相容性近年来已经被成功作为一种环境友好的催化剂应用于水处理领域中染料废水的降解。一方面，非晶合金如铁基非晶合金因本身具有较低的氧化还原电位使其可以直接作为电子供体对水中的有机污染物进行还原降解；另一方面，非晶合金结合高级氧化技术（如类芬顿反应）可以对有机污染物实现更加彻底的降解及矿化，将其变成二氧化碳和水。重点介绍了非晶合金在水处理应用中的研究背景、制备方法、催化降解性能和机制等内容，旨在为非晶合金在深度净水处理技术的催化应用提出新的发展方向，并为未来大规模工业应用提供有价值的科学参考。
关键词：非晶合金；金属玻璃；水处理；高级氧化技术；催化降解
中图分类号：O643.3 文献标识码：A 文章编号：0258-3283(2022)--
Progress on Application of Amorphous Alloys in Water Treatment LIANG Xiong, ZHANG Zhen-xuan*, MA Jiang* (College of Mechatronics and Control Engineering, Shenzhen University, Shenzhen 518060, China)
Abstract: Amorphous alloys, also known as metallic glasses, are non-equilibrium metastable materials with rich energy state. The development of new functional applications of amorphous alloys is the research frontier and hotspot in the field of materials science and engineering. Due to their high conductivity, corrosion resistance, and good biocompatibility, amorphous alloys have been successfully used as a class of environment-friendly catalysts in the degradation of dye wastewater in the field of water treatment in recent years. On the one hand, amorphous alloys such as iron-based amorphous alloys can be directly used as electron donors to reduce and degrade organic pollutants in water matrix owing to their low redox potential. On the other hand, amorphous alloys combined with advanced oxidation processes (such as Fenton-like reaction) can degrade and mineralize organic pollutants more thoroughly, transforming them into carbon dioxide and water. This paper focuses on the research background, preparative methods, catalytic degradation performance, and mechanism of amorphous alloys in water treatment, aiming to put forward new development directions for catalytic application of amorphous alloys in the field of advanced water purification technology, as well as to provide valuable scientific reference for large-scale industrial application in the future.
Key words: amorphous alloys; metallic glasses; water treatment; dye wastewater; Fenton-like reaction
引用本文：梁雄，张振轩，马将.非晶合金在水处理应用中的研究进展[J].化学试剂，2022,44（7）：1071-1078.
