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Raman spectroscopy and quantum chemical calculation on YCl_(3)-KCl molten salt system

Rare Metals 2023年第11期42卷 3886-3896页

作者： Can Xu xian-wei hu Jiang-Yu Yu Peng-wei Li Ai-Min Liu Shao-hua Luo Zhong-Ning Shi Zhao-Wen Wang Key Laboratory Ecological Metallurgy of Multimetallic Mineral‘Ministry of Education’ School of MetallurgyNortheastern UniversityShenyang110819China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819China School of Materials Science and Engineering Northeastern UniversityShenyang110819China Department of Chemistry and Bioscience Aalborg University9220AalborgDenmark

The knowledge on the ionic structure of YCl_(3)-KCl molten system is of guiding significance for the practical production of yttrium metals and yttrium alloys via molten salt electrolysis using this system as *** this paper,the theoretical Raman spectra of the ionic groups which may exist in YCl_(3)-KCl molten system are simulated by quantum chemical calculation using Gaussian09 and Gauss View 5.0 programs based on density functional theory(DFT).Then the ionic structures of 20 mol%-60 mol%YCl_(3)-KCl molten salt systems are studied by comparing the Raman shift values of the bands in the theoretical Raman spectra of different ionic groups with the experimental spectra of this ***_(6)^(3-),Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)are thought to exist in the molten *** the increase of temperature,the relative content of YCl_(6)^(3-)ionic groups increases while those of Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)ionic groups ***,the"lifetime"of all ionic groups decreases within the temperature range of 692-730℃.Meanwhile,the relative contents of Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-)and Y_(2)Cl_(9)^(3-)increase with the increase of YCl_(3)content,while that of YCl_(6)^(3-)*** wave function analysis of the four ionic groups(YCl_(6)^(3-),Y_(2)Cl_(7)^(-),Y_(2)Cl_(8)^(2-),and Y_(2)Cl_(9)^(3-))is carried out by Multiwfn *** net charge in each group,the direction of electron migration during the formation of each group,the sites where electrophilic and nucleophilic reactions are most likely to occur in each ionic group,and the order of bond breaking during chemical reactions for the four groups are obtained.

关键词： YCl_(3)-KCl molten salt Ionic structure Raman spectroscopy Quantum chemical calculation Wave function analysis

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A light-through-side cell and co-used furnace designed for micro-Raman spectra study on volatile melts

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Chinese Chemical Letters 2012年第11期23卷 1291-1294页

作者： xian wei hu huan Li Bing Liang Gao Jing Jing Liu Zhong Ning Shi Jiang Yu Yu Zhao Wen Wang School of Materials and Metallurgy Northeastern UniversityShenyang 110004China

A new type of sample cell specially designed for micro-Raman spectra study on volatile melts is described. The cell is made of quartz. The lower section of the cell is circular ring-shaped and the one-end-closed hole in the cell is used for locating the heating body. The tube attached to the cell lid for placing the thermal couple is inserted into the sample, which ensures that the temperature measurement accuracy is good. The cell can be sealed for reducing the effect of the composition change caused by the in_homogeneous volatilization. During the Raman spectra scanning, the laser beam is transmitted into the cell through the side but not the top. Meanwhile, a furnace has been designed to match the cell. The heating body is closely coupled with the sample cell, and there is a hole on the side wall of the furnace for the entrance of the microlens. The assembly has performed well in the tested Raman spectrum measurement of molten NaNO3 at 602 ℃.

关键词： Light-through-side cell Raman spectroscopy Volatile melts Comer microlens Cell-around-heating body furnace

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Gastric Cancer Screening by Combined Determination of Serum Helicobacter pylori Antibody and Pepsinogen Concentrations： ABC Method for Gastric Cancer Screening

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Chinese Medical Journal 2018年第10期131卷 1232-1239页

作者： xian-Zhe Chen Cheng-Zhi huang wei-xian hu Ying Liu Xue-Qing Yao Second Clinical Medical College Southern Medical University Guangzhou Guangdong 510515 China Department of General Surgery Guangdong General Hospital Guangdong Academy of Medical Sciences Guangzhou Guangdong 510080 China Medical College Shantou University Shantou Guangdong 515063 China Reproductive Department Guangdong General Hospital Guangdong Academy of Medical Sciences Guangzhou Guangdong 510080 China

Objective：Gastroscopy combined with gastric mucosa biopsies is currently regarded as a gold standard for diagnosis of gastric ***,its application is restricted in clinical practice due to its invasive property.A new noninvasive population screening process combining the assay ofanti-Helicobacterpylori antibody and serum pepsinogen （PG）（ABC method） is adopted to recognize the high-risk patients for further endoscopy examination,avoiding the unnecessary gastroscopy for most population and saving the cost consumption for mass screening ***,controversies exist for the grouping of ABC method and the intervals of gastroscopy surveillance for each *** this review,we summarized these popular concerned topics for providing useful references to the healthcare practitioner in clinical *** Sources：The PubMed databases were systematically searched from the inception dates to November 22,2017,using the keywords ＂Helicobacterpylori,＂＂Pepsinogens,＂ and ＂Stomach Neoplasms.＂Study Selection：Original articles and reviews on the topics were ***：*** antibody and serum PG concentration showed significant changes under the different status *** infection and the progression of atrophic gastritis,which can be used for risk stratification of gastric cancer in *** addition,anti-H,pylori antibody titer can be used for further risk stratification of gastric cancer contributing to determine better endoscopy surveillance ***：The early detection and diagnosis of gastric cancer benefit from the risk stratification,but the cutoff values for *** antibody and serum PG concentration require further modification.

关键词： Gastroscopy Surveillance Helicobacterpylori Antibody Pepsinogens Risk Stratification Stomach Neoplasms

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基于宽谱光源的可调多通带微波光子学滤波器研究

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光通信技术 2016年第3期40卷 46-47页

作者：魏贤虎卢林林江苏省邮电规划设计院有限责任公司南京210019

从现有微波光子滤波器着手,提出一种新的独立可调多通带微波光子学滤波器,验证了独立可调双通带微波光子学滤波器的可行性,实验结果与理论分析结果相符。

关键词：宽谱光源微波光子滤波器

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基于RS/GIS的四湖地区湖泊水域百年变迁研究

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长江流域资源与环境 2005年第3期14卷 293-297页

作者：魏显虎杜耘 Yasunori NAKA YAMA 薛怀平任宪友中国科学院测量与地球物理研究所日本大学文理学部

四湖地区是长江中游江汉平原的重要湖泊分布区,在历史时期湖泊分布广阔,是著名的云梦泽的主体。由于江湖关系演变和人类活动的影响,湖泊面积变化迅速,尤以20世纪为甚。在野外调查和历史文献分析的基础上,利用不同时期的水利图、地形图... 详细信息

四湖地区是长江中游江汉平原的重要湖泊分布区,在历史时期湖泊分布广阔,是著名的云梦泽的主体。由于江湖关系演变和人类活动的影响,湖泊面积变化迅速,尤以20世纪为甚。在野外调查和历史文献分析的基础上,利用不同时期的水利图、地形图、遥感影像图作为基本信息源,在GIS技术支持下,提取湖泊面积信息,对四湖地区近百年湖泊水域变化进行了研究。结果显示,从20世纪20年代开始湖泊面积和个数呈先增加后减少的趋势,50年代处于鼎盛时期,50年代初期到70年代初期迅速减少,70年代至2000年减幅明显减缓。这种动态变化是自然因素和人类活动综合作用的结果,人类活动的作用更为突出。针对湖泊水域日益减少的现状,应加强对湖泊资源的保护力度,并在此基础上进行合理开发和利用。

关键词：四湖地区 RS/GIS 水域变迁人类活动 20世纪湖泊面积 50年代遥感影像图 2000年江汉平原长江中游湖泊分布历史时期江湖关系面积变化不同时期文献分析野外调查技术支持 20年代综合作用自然因素动态变化

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Boosting Oxygen Evolution Reaction Performance on NiFe‑Based Catalysts Through d‑Orbital Hybridization

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Nano-Micro Letters 2025年第1期17卷 281-292页

作者： Xing Wang wei Pi Sheng hu Haifeng Bao Na Yao wei Luo State Key Laboratory of New Textile Materials and Advanced Processing Technology Key Laboratory of New Textile Materials and Applications of Hubei ProvinceSchool of Materials Science and EngineeringWuhan Textile UniversityWuhan 430200People’s Republic of China College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072People’s Republic of China

Anion-exchange membrane water electrolyzers(AEMWEs)for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based *** introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units,the d-orbital and electronic structures can be adjusted,which is an important strategy to achieve sufficient oxygen evolution reaction(OER)performance in ***,the ternary NiFeM(M:La,Mo)catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this *** and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen,resulting in enhanced adsorption strength of oxygen intermediates,and reduced rate-determining step energy barrier,which is responsible for the enhanced OER *** critically,the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm^(−2) in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

关键词： NiFe-based catalysts d-orbital coupling Oxygen evolution reaction Anion exchange membrane electrolyzer

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Physicochemical properties of 1,3-dimethyl-2-imidazolinone−ZnCl_(2)solvated ionic liquid and its application in zinc electrodeposition

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Transactions of Nonferrous Metals Society of China 2021年第3期31卷 832-841页

作者： Ai-min LIU Meng-xia GUO Zhong-ning SHI Yu-bao LIU Feng-guo LIU xian-wei hu You-jian YANG Wen-ju TAO Zhao-wen WANG Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030China

Zinc chloride(ZnCl_(2))was dissolved in the 1,3-dimethyl-2-imidazolinone(DMI)solvent,and the metallic zinc coatings were obtained by electrodeposition in room-temperature ambient *** conductivity(σ),viscosity(η),and density(ρ)of the DMI−ZnCl_(2)solvated ionic liquid at various temperatures(T)were measured and ***,cyclic voltammetry was used to study the electrochemical behavior of Zn(II)in the DMI−ZnCl_(2)solvated ionic liquid,indicating that the reduction of Zn(II)on the tungsten electrode was a one-step two-electron transfer irreversible *** and SEM−EDS analysis of the cathode product confirmed that the deposited coating was metallic ***,the effects of deposition potential,temperature and duration on the morphology of zinc coatings were *** results showed that a dense and uniform zinc coating was obtained by potentiostatic electrodeposition at−2 V(vs Pt)and 353 K for 1 h.

关键词： electrodeposition zinc 1,3-dimethyl-2-imidazolinone physicochemical properties cyclic voltammetry

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Physicochemical properties of DMI-LiNO_(3) solvated ionic liquid and its application in electrodeposition of neodymium at room temperature

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Transactions of Nonferrous Metals Society of China 2021年第8期31卷 2522-2531页

作者： Ai-min LIU Yu YAO Meng-xia GUO Yu-bao LIU Zhong-ning SHI Feng-guo LIU xian-wei hu Wen-cai HE Zhao-wen WANG Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China State Key Laboratory of Baiyunobo Rare Earth Resource Researches and Comprehensive Utilization Baotou Research Institute of Rare EarthsBaotou 014030China State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819China

The density,conductivity,and viscosity of the 1,3-dimethyl-2-imidazolinone and lithium nitrate(DMILiNO_(3))solvated ionic liquid were measured as a function of ***,the electrochemical mechanism and electrodeposition of neodymium from the DMI-LiNO_(3) solvated ionic liquid were *** voltammetry results indicate that the electrochemical reduction of Nd(Ⅲ)is irreversible and proceeds via one-step with three-electron transfer,which is controlled by diffusion with a diffusion coefficient of 5.08×10^(-8) cm^(2)/*** X-ray spectrometry and X-ray photoelectron spectroscopy data confirm that the electrodeposit obtained after electrodeposition at-4 V(vs Ag)using the DMI-LiNO_(3)-Nd(CF_(3)SO_(3))_(3) solvated ionic liquid contains metallic neodymium.

关键词： electrodeposition neodymium ionic liquid physicochemical properties cyclic voltammetry

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大肠菌群特异性检测荧光底物MUGal的合成及应用

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现代食品科技 2014年第8期30卷 251-257页

作者：马延霞吴清平张菊梅郭伟鹏韦献虎中国科学院广州化学研究所广东广州510650 广东省微生物研究所省部共建华南应用微生物国家重点实验室广东省菌种保藏与应用重点实验室广东省微生物应用新技术公共实验室广东广州510070 中国科学院大学北京100049

4-甲基伞形酮基-β-D-吡喃半乳糖苷(MUGal)是食品安全中重要指示菌大肠菌群的特异性快速检测荧光底物。本文采用相转移催化方法使4-甲基伞形酮(4-MU)和四乙酰基-α-D-吡喃溴代半乳糖缩合生成保护的糖苷,再在碳酸钠的水/甲醇溶液中去保... 详细信息

4-甲基伞形酮基-β-D-吡喃半乳糖苷(MUGal)是食品安全中重要指示菌大肠菌群的特异性快速检测荧光底物。本文采用相转移催化方法使4-甲基伞形酮(4-MU)和四乙酰基-α-D-吡喃溴代半乳糖缩合生成保护的糖苷,再在碳酸钠的水/甲醇溶液中去保护生成4-甲基伞形酮基-β-D-吡喃半乳糖苷。通过对温度、时间和催化剂用量对糖苷化一步产率的研究发现,当温度为30℃,反应时间为16 h时,产率最高可达73.12%。醇解反应一步以碳酸钠为碱产率可达91.01%。在对产物进行IR和1HNMR结构表征后,进一步将产物应用于大肠菌群显色培养基,并和进口底物比较,其产荧光管数经X2检验无显著性差异(P>0.05),在实际样品检测中,采用GB4789.3-2010(48 h)和MUGal方法(24 h)的阳性检出率均为80%,MUGal方法的检出时间明显缩短。因此,本研究制备的荧光底物能和进口产品相媲美,可以作为进口底物的替代品。

关键词： 4-甲基伞形酮-β-D-吡喃半乳糖苷相转移催化大肠菌群月桂基硫酸盐胰蛋白胨肉汤(LST)

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近50年来江汉湖群水域演化定量研究

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长江流域资源与环境 2006年第2期15卷 244-248页

作者：邓宏兵蔡述明杜耘薛怀平魏显虎中国地质大学人文与经济学院中国科学院测量与地球物理研究所湖北武汉430077

根据江汉平原湖区发育背景、资源环境结构和社会经济功能等方面因素，将研究区界定为湖北省境内以江汉平原为依托、海拔50m等高线以内的所有地区。其范围在东经111°36′38．76″～116°7′52．14″、北纬29°25′59．25″～31°27′14... 详细信息

根据江汉平原湖区发育背景、资源环境结构和社会经济功能等方面因素，将研究区界定为湖北省境内以江汉平原为依托、海拔50m等高线以内的所有地区。其范围在东经111°36′38．76″～116°7′52．14″、北纬29°25′59．25″～31°27′14．45″之间，按自然界线计算面积4．664万km^2，按行政区统计面积为6．475万km^2。运用RS／GIS技术，分析得知：近50年来，江汉湖群湖泊总数量和总面积均表现出总体下降、中间年份有波动的趋势，20世纪50年代、60年代、70年代、80年代、90年代和21世纪初（2000年），0．1km^2以上的湖泊总数量分别是1309、611、612、838、768、771个，0．1km^2以上的湖泊总面积分别是8503．7、5462．5、2933．8、2977．3、3451．4、3188．1km^2。围湖垦殖是近50多年来江汉湖群演化的主要原因和主导因子。

关键词：江汉湖群演化 RS/GIS数量面积

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