Study on adsorption of Th(IV) using surface modified dibenzoylmethane molecular imprinted polymer
作者：
Ji, X. Z.* ;Liu, H. J.;Wang, L. L.;Sun, Y. K.;Wu, Y. W.
期刊：
Journal of Radioanalytical and Nuclear Chemistry ,2013年295(1):265-270 ISSN：0236-5731
通讯作者：
Ji, X. Z.
作者机构：
[Liu, H. J.; Wu, Y. W.; Ji, X. Z.; Wang, L. L.; Sun, Y. K.] Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Ji, X. Z.] U;Univ S China, Coll Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
Th(IV);Dibenzoylmethane;Molecular imprinting polymer;Adsorption
摘要：
The adsorption of Th(IV) was studied using a novel dibenzoylmethane molecular imprinted polymers, which was prepared using acryloyl-β- cyclodextrin as a monomer on surface modified functional silica gel. X-ray photoelectron spectroscopy and FTIR were employed to confirm the reliability of the synthetic polymer. Scanning electron microscope was used to analyze the surface properties of the experimental materials. UV-spectrophotometer was employed to investigate the adsorption property and the concentration of Th(IV). Adsorption kinetics and adsorption isotherm were carried out. In pH 3.5, the adsorption equilibrium could reach a balance in 45 min, the resultant adsorbing capacity was 30.8 mg g-1, and the remove ratio of Th(IV) was 88.1 %. © 2012 Akadémiai Kiadó, Budapest, Hungary.
语种：
英文
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Peroxidase-like activity of L29H myoglobin with two cooperative distal histidines on electrode using O2 as an oxidant
作者：
Dong, Shan-Shan;Du, Ke-Jie;You, Yong;Liu, Fang;Wen, Ge-Bo;...
期刊：
Journal of Electroanalytical Chemistry ,2013年708:1-6 ISSN：1572-6657
通讯作者：
Lin, Ying-Wu
作者机构：
[Dong, Shan-Shan; Lin, Ying-Wu; Du, Ke-Jie] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Wen, Ge-Bo; You, Yong; Liu, Fang] Univ South China, Coll Med, Hengyang 421001, Peoples R China.;[Wen, Ge-Bo; You, Yong; Lin, Ying-Wu; Liu, Fang] Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
通讯机构：
[Lin, Ying-Wu] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
Heme proteins;Myoglobin;Distal histidine;DDAB;Peroxidase
摘要：
We recently showed that by introduction of a second distal histidine (Leu29 to His29 mutation) in the heme pocket of sperm whale myoglobin (Mb), L29H Mb mutant exhibits an enhanced peroxidase activity compared to wild type (WT) Mb using H<inf>2</inf>O<inf>2</inf> as an oxidant. In this study, we further showed that when L29H Mb was immobilized in didecyldimethylammonium bromide (DDAB) on glassy carbon electrode (GCE), it can efficiently reduce O<inf>2</inf> in aerobic buffer solution to H<inf>2</inf>O<inf>2</inf>, followed by electrode-driven oxidation of guaiacol, a common peroxidase substrate, which is more effective (∼3.6-fold at pH = 7.0) than that of WT Mb with a single distal His64. Moreover, the peroxidase-like activity of immobilized L29H Mb was found to be affected by pH values, i.e., the slope of the plot of reduction peak vs. guaiacol concentration was increased from (0.83 ±0.04) ×10<sup>-3</sup> μA/mM at pH = 8.0 to (3.08 ±0.07) ×10 <sup>-3</sup> μA/mM at pH = 6.0, which suggests that the distal histidines play a key role in reductive activation of O<inf>2</inf> by providing protons. Since there is no native peroxidase with two distal histidines and native peroxidase usually uses H<inf>2</inf>O<inf>2</inf> as an oxidant, this study is thus instructive for creating functional enzymes beyond those in nature. ©2013 Elsevier B.V. All rights reserved.
语种：
英文
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化工类专业组仿真实验室维护管理的实践
作者：
任辉;李海涛
期刊：
Kexue Jishu Chuangxin ,2013年(15):60 ISSN：1673-1328
作者机构：
南华大学化学化工学院,湖南衡阳,421000;南华大学船山学院,湖南衡阳,421001
关键词：
仿真实验室;维护管理;实践
摘要：
阐述了化工类专业组仿真实验室在实际教学工作中出现的问题,提出了解决这些问题的方法,建立了仿真实验室维护管理模式。
语种：
中文
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Theoretical Study on Anti-mutant HIV-1 Virus Activity of Diaryltriazine Analogs
作者：
Huijie Liu Changming Nie Qingjie Zhang Yunxia Xiao Xufeng Tan
期刊：
化学发展前沿：中英文版 ,2013年(01):7-12 ISSN：2167-163X
作者机构：
School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, P R.China;[Huijie Liu Changming Nie Qingjie Zhang Yunxia Xiao Xufeng Tan] 华南大学化学与化学工程学院
关键词：
化学;理论;研究;方法;有机化学;无机化学
语种：
中文
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Determination of linear thermal expansion coefficient of polymeric materials by infrared thermography
作者：
Wang, Meng;Liao, Yun;Chen, Dajun*
期刊：
Polymer Testing ,2013年32(2):175-178 ISSN：0142-9418
通讯作者：
Chen, Dajun
作者机构：
[Wang, Meng; Liao, Yun; Chen, Dajun] Donghua Univ, Coll Mat Sci & Engn, State Key Lab Modificat Chem Fibers & Polymer Mat, Shanghai 201620, Peoples R China.;[Wang, Meng] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Chen, Dajun] Donghua Univ, Coll Mat Sci & Engn, State Key Lab Modificat Chem Fibers & Polymer Mat, 2999 Renmin Rd N, Shanghai 201620, Peoples R China.
通讯机构：
[Chen, Dajun] D;Donghua Univ, Coll Mat Sci & Engn, State Key Lab Modificat Chem Fibers & Polymer Mat, 2999 Renmin Rd N, Shanghai 201620, Peoples R China.
关键词：
Linear thermal expansion coefficient;Polymeric materials;Thermo-elastic effect;Infrared thermography
摘要：
In this paper, we present a new method for determination of the linear thermal expansion coefficient (LTEC) of polymeric materials by infrared thermography. The method is based on the thermo-elastic effect, which is closely related to the LTEC. The advantage of this method is that it is not only suitable for any size and shape of polymeric material, but also for both amorphous and crystalline polymers. ©2012 Elsevier Ltd. All rights reserved.
语种：
英文
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有机改性蛭石对含铀废水的处理研究
作者：
刘文娟;曾艳红
作者机构：
南华大学化学化工学院，湖南 衡阳 421001
会议名称：
中国核学会2011年年会
会议时间：
20111011
会议地点：
贵阳
会议论文集名称：
中国核学会2011年年会论文集
关键词：
Keywords: vermiculite;adsorption;uranium;organic modified
摘要：
通过实验研究了有机改性蛭石对水中铀的吸附性能，探讨了吸附剂用量、初始Ph、铀初始浓度、吸附时间等因素对吸附效果的影响，通过正交试验得出了吸附处理中的主要影响因素。最后对蛭石有机改性吸附铀试验原理进行了初步研究与分析。实验结果表明：用Ctmab(十六烷基三甲基溴化铵)处理蛭石粉末后得到的有机改性蛭石对铀有较强的吸附能力；用蛭石与絮凝剂联合处理低浓度的铀溶液有协同作用，能显著提高其吸附能力；影响有机改性蛭石对铀吸附的因素有：吸附剂用量、Ph、铀溶液初始浓度和吸附时间。增加吸附剂用量和吸附时间、降低铀初始浓度都能提高对铀的去除率，但比吸附量却随着吸附剂用量的增加而减少，随着含铀溶液初始浓度的增加而增加。有机改性蛭石对铀的去除率和吸附量在Ph为5～6．5时达到最大值。
语种：
中文
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乳状液膜技术分离回收金属离子的研究进展
作者：
陈伟;夏良树;胡思思
期刊：
化学工程 ,2013年41(3):10-15 ISSN：1005-9954
通讯作者：
Xia, L.-S.
作者机构：
[陈伟; 胡思思] 南华大学化学化工学院;[夏良树] 南华大学核科学技术学院
通讯机构：
School of Nuclear Science and Technology, University of South China, China
关键词：
乳状液膜;铀;分离;回收
摘要：
在一些工业生产过程中会产生大量的含铜、汞、锌、铀等重金属的废液,这些废水中的金属一般不能被分解破坏,只能转移其存在位置和转变其物化形态。传统的提取回收金属离子的方法主要有萃取分离、固体吸附、离子交换、共沉淀、电解法、膜分离等。其中膜分离技术因兼有分离、浓缩、纯化和精制的功能,又有高效、节能、环保、分子级过滤及过滤过程简单、易于控制等特征,故目前已广泛应用于食品、医药、生物、环保、化工等领域。文中介绍了常用的处理含金属离子废液的方法及其优缺点,重点介绍了乳状液膜技术的特点和原理,同时,阐述了含铀废液的主要处理方法,并对于乳状液膜技术应用于处理含铀废液进行了展望。
语种：
中文
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二芳基三嗪类化合物抗HIV-1活性的理论研究
作者：
刘慧杰;聂长明;石春雨;张清杰;肖云霞
期刊：
分子科学学报 ,2013年29(2):95-101 ISSN：1000-9035
作者机构：
[刘慧杰; 聂长明; 石春雨; 张清杰; 肖云霞] 南华大学化学化工学院
关键词：
二芳基三嗪类似物(DATAs);定量构效关系
摘要：
应用分子力学方法、从头算法优化了28个二芳基三嗪(DATA)类抗野生型HIV-1化合物分子结构,从分子构象模型中提取了多类参数,结合电子类参数、几何类参数、分子物化参数与活性之间建立了QSAR多元线性回归模型.模型显示:分子中连接三嗪环与B环的X位置上净电荷量的增加以及分子中吸电子基团的引入有利于其抗HIV-1活性的增强,同时,前线轨道能级差ΔE的增大和分子体积适当的增大亦有利于其抗HIV-1活性的提高,并且后两者是影响该类化合物抗HIV-1活性的主要因素.
语种：
中文
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BiOX（X=F，Cl，Br，I）的溶剂效应、电子结构和光学性质
作者：
龙威;颜雪明;陈仲清
期刊：
黑龙江大学自然科学学报 ,2013年30(5):635-641 ISSN：1001-7011
作者机构：
南华大学化学化工学院,衡阳,421001
关键词：
溶剂效应;电子结构;光学性质;密度泛函理论
摘要：
采用密度泛函理论(DFT-B3LYP)方法结合四种不同的溶剂模型对铋卤氧化物BiOX(X=F,Cl,Br,I)的电子结构及光电性质进行了优化计算,比较它们的能量间隙(Eg)、电离能(IP)、电子亲和势(EA)、空穴抽取能(HEP)、电子抽取能(EEP)、空穴和电子重组能(λ),推测了它们的载流子注入能力.用含时密度泛函理论(TDDFT-B3 LYP)方法计算了吸收光谱,用TDDFT方法优化了它们的最低激发单重态(S1),并用含时TDDFT方法研究了它们的荧光光谱.理论计算表明,化合物BiOX(X=F,Cl,Br,I)具有良好的电子传输能力,电子跃迁主要为π→π*,乙二醇溶剂效应最为理想,BiOBr的光学性质最佳.
语种：
中文
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基于信息技术与化学学科有效整合的创新人才培养研究
作者：
聂长明;廖力夫;林英武;肖新荣;邓健;...
期刊：
中国电力教育 ,2013年(23):20-21 ISSN：1007-0079
作者机构：
南华大学化学化工学院 湖南 衡阳 421001;[聂长明; 邓健; 肖新荣; 肖锡林; 林英武; 廖力夫; 周昕] 南华大学
关键词：
信息技术;化学学科;有效整合;创新人才
摘要：
信息技术是人们利用信息器官功能的各种方法、工具与技能的总和。基于化学学科的特点和实际,对信息技术与化学学科有效整合的教学平台设计、创新意识、创新思维培养及整合实践效果进行了系统探讨和分析。
语种：
中文
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Preparation and sorption performance of magnetic 18-crown-6/Fe3O4 nanocomposite for uranium(VI) in solution
作者：
Li, Le;Huang, Fen;Yuan, Yali* ;Hu, Jianbang;Tang, Qiong;...
期刊：
Journal of Radioanalytical and Nuclear Chemistry ,2013年298(1):227-235 ISSN：0236-5731
通讯作者：
Yuan, Yali
作者机构：
[Li, Le] Univ South China, Sch Publ Hlth, Hengyang 421001, Hunan, Peoples R China.;[Huang, Fen; Yuan, Yali; Hu, Jianbang; Tang, Qiong] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Tang, Shuangyang] Univ South China, Pathogen Biol Inst, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Yuan, Yali] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Crown ether;Fe3O4;Magnetic nanocomposite;Uranium(VI);Sorption
摘要：
A new magnetic nanocomposite material, magnetic 18-crown-6/Fe 3 O 4 nanocomposite (MCFN), was prepared for the removal of U(VI) from aqueous solution. The MCFN was composed of Fe 3 O 4 nanoparticales modified by covalent attachment of 18-crown-6, which can help the material to be removed easily from solution by magnetic force. As a new adsorbent for U(VI) removal, MCFN was characterized by infrared radiation, scanning electron microscopy with energy dispersive X-ray spectroscopy, vibrating sample magnetometer and thermal gravimetric analysis. Those factors affecting the sorption behavior of U(VI), such as acidity, temperature, initial concentration of U(VI) and the amount of crown ethers were studied by orthogonal experiments. A maximum U(VI) sorption capacity of 91.12 mg g -1 was achieved at 45 C, pH 5.5 for 30 min. The experimental results showed that MCFN had great sorption capacity, high selectivity and strong potentiality of enrichment and recovery for U(VI). In summary, MCFN is a promising candidate for U(VI) separation in future practical applications. © 2013 Akadémiai Kiadó, Budapest, Hungary.
语种：
英文
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Determination of fructose 1,6-bisphosphate using a double-receptor sandwich type fluorescence sensing method based on uranyl–salophen complexes
作者：
Zhang, Guangliang;Liao, Lifu* ;Lin, Yingwu;Yang, Miao;Xiao, Xilin;...
期刊：
Analytica Chimica Acta ,2013年784:47-52 ISSN：0003-2670
通讯作者：
Liao, Lifu
作者机构：
[Yang, Miao; Xiao, Xilin; Zhang, Guangliang; Liao, Lifu; Nie, Changming; Lin, Yingwu] Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Liao, Lifu] U;Univ South China, Coll Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
关键词：
Double-receptor;Fluorescence;Fructose 1,6-bisphosphate;Salophen;Sandwich;Uranyl
摘要：
In this paper, we report a double-receptor sandwich type fluorescence sensing method for the determination of fructose bisphosphates (FBPs) using fructose 1,6-bisphosphate (F-1,6-BP) as a model analyte based on uranyl-salophen complexes. The solid phase receptor is an immobilized uranyl-salophen (IUS) complex which is bound on the surface of glass slides by covalent bonds. The labeled receptor is another uranyl-salophen complex containing a fluorescence group, or uranyl-salophen-fluorescein (USF). In the procedure of determining F-1,6-BP in sample solution, F-1,6-BP is first adsorbed on the surface of the glass slide through the coordination reaction of F-1,6-BP with IUS. It then binds USF through another coordination reaction to form a sandwich-type structure of IUS-F-1,6-BP-USF. The amount of F-1,6-BP is detected by the determination of the fluorescence intensity of IUS-F-1,6-BP-USF bound on the glass slide. Under optimal conditions, the linear range for the detection of F-1,6-BP is 0.05-5.0nmolmL-1 with a detection limit of 0.027nmolmL-1. The proposed method has been successfully applied for the determination of F-1,6-BP in real samples with satisfactory results. © 2013 Elsevier B.V.
语种：
英文
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Photocatalytic reduction of Uranyl ions over Anatase and Rutile Nanostructured TiO2
作者：
Zhang, Lihua;Li, Hui;Li, Le;Deng, Jian;Deng, Weiyi;...
期刊：
Chemistry Letters ,2013年42(7):689-690 ISSN：0366-7022
通讯作者：
Zhao, Yubao
作者机构：
[Zhao, Yubao; Li, Le; Zhang, Lihua; Li, Hui; Deng, Jian; Deng, Weiyi] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Zhao, Yubao] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
摘要：
Anatase and rutile nanostructured TiO2 semiconductor catalysts were prepared by wet-chemical methods and used for the photoreduction of uranyl ions under UV radiation. It was found that there is an obvious difference between their catalyticperformances: rutile TiO2 nanorods give the highest activity per unit surface area, being over twice as active as P25 and 10 times more active than the anatase counterparts. © 2013 The Chemical Society of Japan.
语种：
英文
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肌红蛋白的非酶糖化及其生物学效应
作者：
游咏;刘芳;林英武;杜可杰;刘江华;...
期刊：
生命的化学 ,2013年33(6):627-632 ISSN：1000-1336
作者机构：
南华大学医学院,衡阳421001;南华大学蛋白质结构与功能实验室,衡阳421001;南华大学化学化工学院,衡阳421001;南华大学化学化工学院,衡阳,421001;南华大学附属一医院,衡阳421001
关键词：
非酶糖化;肌红蛋白;结构;功能;糖尿病
摘要：
蛋白质的非酶糖化（non-enzymatic glycation）在糖尿病及其并发症的发生发展中起着重要作用。糖化血红蛋白（hemoglobin A1c,HbA1C）已作为糖尿病患者血糖控制的"金标准"。相对而言,同为血红素蛋白的肌红蛋白（myoglobin,Mb）,其非酶糖化的研究相对较少。研究发现:非酶糖化能改变Mb的空间构象,且对Mb血红素活性中心产生一定的影响,从而导致Mb各种生物学功能发生一定程度的改变。本文综述非酶糖化对Mb结构与功能的影响的研究现状,旨在阐明Mb非酶糖化后的结构-性质-功能之间的关系及其生物学意义,为糖尿病及其并发症的发病机制研究提供新的线索。
语种：
中文
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Human soluble guanylate cyclase as a nitric oxide sensor for NO-signalling reveals a novel function of nitrite reductase
作者：
Pan, Jie;Xu, Qiming;Lin, Ying-Wu;Zhong, Fangfang;Tan, Xiangshi*
期刊：
Chemical Communications ,2013年49(67):7454-7456 ISSN：1359-7345
通讯作者：
Tan, Xiangshi
作者机构：
[Zhong, Fangfang; Xu, Qiming; Tan, Xiangshi; Pan, Jie] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China.;[Zhong, Fangfang; Xu, Qiming; Tan, Xiangshi; Pan, Jie] Fudan Univ, Inst Biomed Sci, Shanghai 200433, Peoples R China.;[Lin, Ying-Wu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Tan, Xiangshi] F;Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China.
摘要：
Human soluble guanylate cyclase (hsGC), a NO sensor/NO receptor of a heterodimeric hemoprotein, plays a critical role in the NO-sGC-cGMP signaling pathway, and also reveals a novel nitrite reductase activity. This indicates that hsGC could activate itself by catalytic reduction of nitrite to NO instead of receiving NO from nitric oxide synthase (NOS), which provides valuable insight into the physiological function of the homodimeric hsGC.
语种：
英文
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拉胀高分子材料的研究进展
作者：
魏荣;吴红枚;李竞;陈少云;陈解放;...
期刊：
高分子材料科学与工程 ,2013年29(1):183-186 ISSN：1000-7555
通讯作者：
Wu, H.(wuhongmei@gmail.com)
作者机构：
[陈少云; 吴斌; 李竞; 陈解放; 魏荣; 吴红枚] Department of Polymer Science and Engineering, College of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China
通讯机构：
[Wu, H.] D;Department of Polymer Science and Engineering, College of Chemistry and Chemical Engineering, University of South China, China
关键词：
拉胀性;负泊松比;拉胀高分子
摘要：
拉胀材料即具有负泊松比的材料。文中在简要介绍负泊松比起源的基础上,重点阐述了拉胀高分子材料目前现有的四大种类:泡沫聚合物、微孔聚合物、拉胀纤维和复合材料,并简述其研究现状。介绍了不同研究者关于拉胀性机理研究的观点、模型,指出拉胀机理的研究有待深入,就拉胀高分子材料领域中的研究方向和热点问题提出了一些独到的观点和看法,介绍了笔者在该方向上的相关工作和思路,并对拉胀高分子这一新材料品种的广阔应用前景予以展望。
语种：
中文
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Uranium Removal from Aqueous Solution by Banyan Leaves: Equilibrium, Thermodynamic, Kinetic, and Mechanism Studies
作者：
Xia, Liangshu* ;Tan, Kaixuan;Wang, Xiao;Zheng, Weina;Liu, Wenjuan;...
期刊：
Journal of Environmental Engineering ,2013年139(6):887-895 ISSN：0733-9372
通讯作者：
Xia, Liangshu
作者机构：
[Xia, Liangshu] Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Hunan, Peoples R China.;[Tan, Kaixuan] Univ South China, Sch Nucl Resource & Nucl Fuel Engn, Hengyang 421001, Hunan, Peoples R China.;[Zheng, Weina; Liu, Wenjuan; Wang, Xiao; Deng, Changai] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Xia, Liangshu] U;Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Hunan, Peoples R China.
关键词：
Banyan leaves;Uranium;Biosorption;Thermodynamics;Kinetics;Mechanism
摘要：
Biosorption is an effective and economic method to treat wastewater containing low concentrations of uranium pollutants. In this study, banyan leaves (BLs) were used as a biosorbent to adsorb uranium ions. The biosorption behavior, thermodynamics, and kinetics of this adsorption process, as well as its mechanism, were investigated. The results indicated that the optimal adsorption effect was achieved when the initial pH was 3.0, the initial uranium concentration was 100 mg L<sup>-1</sup>, the absorbent dosage was 5 g L <sup>-1</sup>, and the temperature was chosen to be 293 K. The biosorption rate could be described better by a pseudo-second-order model than a pseudo-first-order model, an Elovich kinetic model, and a double-constant speed kinetic model. The adsorption of uranium(VI) ions proceeded very rapidly in the first 30 min, which subsequently slowed down, and finally reached equilibrium after 50 min. The biosorption isotherm of uranium adsorbed onto BLs could be described better by Freundlich isotherm than Langmuir and Temkin isotherms. This pattern of uranium adsorption onto BL was not achieved by single-molecule form, but rather by multiple forms of adsorption. The thermodynamics parameters, namely, ΔH<sup>0</sup>, ΔS<sup>0</sup>, and ΔG<sup>0</sup>, of adsorption of uranium(VI) ions onto BLs were calculated according to the results of the experiment, which revealed that the biosorption processes were both endothermic and spontaneous. The authors investigated the active sites of BLs for biosorption, and the results proved that -OH, C=O, P-O, and Si=O played an important role in biosorption. ©2013 American Society of Civil Engineers.
语种：
英文
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黄金茶的化学工艺前景分析
作者：
龙威
期刊：
首都师范大学学报(自然科学版) ,2013年34(4):33-35,40 ISSN：1004-9398
作者机构：
南华大学化学化工学院,湖南衡阳,421001;[龙威] 南华大学
关键词：
黄金茶;化学成分;化学工艺;前景分析
摘要：
在介绍了黄金茶特色和成因的基础上,分析了黄金茶所含的有效化学成分,对黄金茶的化学工艺前景做了详细的归划,为进一步开展黄金茶的化学成分研究做了积极的准备.
语种：
中文
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PDVT单体的电子结构与红外光谱
作者：
陈奇超;王巧丽;龙威;熊双喜
期刊：
化学工程师 ,2013年27(7):22-26 ISSN：1002-1124
作者机构：
台州学院生命科学学院,浙江台州,317000;南华大学化学化工学院,湖南衡阳,421001;[龙威] 南华大学;[陈奇超; 王巧丽; 熊双喜] 台州学院
关键词：
量子化学;密度泛函;前线轨道
摘要：
有机共轭聚合物在电致发光材料上有较大的应用前景。采用密度泛函理论B3LYP方法在6-311++G（d,p）水平上计算了PDVT的分子结构和电子结构,并对红外光谱、净电荷布局等进行了分析,结合前线轨道理论探讨了分子的稳定性和活性。计算结果表明PDVT分子中环状结构的共轭效应良好,其中C（26）的反应活性最高,最容易接受亲电试剂的进攻。前线轨道分析表明PDVT分子的内部环状结构对HOMO轨道做主要贡献,S原子对LUMO轨道做主要贡献,计算所得△Eg=0.489eV表明它更倾向于接受电子并具有适合的能带宽度。PDVT分子具有较小的空穴重组能,空穴载流子速率大,可作为良好的空穴传输材料。
语种：
中文
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国内化学教育资源网站调查分析与启示
作者：
龙威;刘勇;夏绪成
期刊：
福建信息技术教育 ,2013年(2):58-60
作者机构：
南华大学化学化工学院;[龙威; 夏绪成; 刘勇] 南华大学
关键词：
化学教育;资源网站;有效利用;调查分析
摘要：
介绍了国内化学教育资源网概况,分析了国内化学教育资源网运行现状,并针对其弊端提出建设性意见:端正认识观念,加强资源融合;鼓励原创作品,促进校本研究;规范源网发展,促进科学运行。
语种：
中文
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