Molecular Dynamics Simulation and Kinetic Study of Fluoride Binding to V21C/V66C Myoglobin with a Cytoglobin-like Disulfide Bond
作者：
Yin, Lu-Lu;Xu, Jia-Kun;Wang, Xiao-Juan;Gao, Shu-Qin;Lin, Ying-Wu*
期刊：
International Journal of Molecular Sciences ,2020年21(7)
通讯作者：
Lin, Ying-Wu
作者机构：
[Yin, Lu-Lu; Lin, Ying-Wu; Wang, Xiao-Juan] Univ South China, Sch Chem & Chem Engn, Hengyang 4200, Peoples R China.;[Xu, Jia-Kun] Chinese Acad Fishery Sci, Pilot Natl Lab Marine Sci & Technol, Lab Marine Drugs & Prod,Key Lab Sustainable Dev P, Minist Agr & Rural Affairs,Yellow Sea Fisheries R, Qingdao 266071, Peoples R China.;[Gao, Shu-Qin; Lin, Ying-Wu] 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 4200, Peoples R China.;Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
关键词：
MD simulation;disulfide bond;fluoride ion;heme proteins;protein design
摘要：
Protein design is able to create artificial proteins with advanced functions, and computer simulation plays a key role in guiding the rational design. In the absence of structural evidence for cytoglobin (Cgb) with an intramolecular disulfide bond, we recently designed a de novo disulfide bond in myoglobin (Mb) based on structural alignment (i.e., V21C/V66C Mb double mutant). To provide deep insight into the regulation role of the Cys21-Cys66 disulfide bond, we herein perform molecular dynamics (MD) simulation of the fluoride-protein complex by using a fluoride ion as a probe, which reveals detailed interactions of the fluoride ion in the heme distal pocket, involving both the distal His64 and water molecules. Moreover, we determined the kinetic parameters of fluoride binding to the double mutant. The results agree with the MD simulation and show that the formation of the Cys21-Cys66 disulfide bond facilitates both fluoride binding to and dissociating from the heme iron. Therefore, the combination of theoretical and experimental studies provides valuable information for understanding the structure and function of heme proteins, as regulated by a disulfide bond. This study is thus able to guide the rational design of artificial proteins with tunable functions in the future.
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英文
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Preparation of magnetic biomass-carbon aerogel and its application for adsorption of uranium(VI)
作者：
Yin, Na;Ai, Yong;Xu, Yuanxin;Ouyang, Yanquan;Yang, Pengfei*
期刊：
Journal of Radioanalytical and Nuclear Chemistry ,2020年326(2):1307-1321 ISSN：0236-5731
通讯作者：
Yang, Pengfei
作者机构：
[Xu, Yuanxin; Ouyang, Yanquan; Ai, Yong; Yang, Pengfei; Yin, Na] Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Peoples R China.;[Xu, Yuanxin; Ouyang, Yanquan; Ai, Yong; Yang, Pengfei; Yin, Na] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Yang, Pengfei] Univ South China, Hunan Prov Engn Res Ctr Radioact Control Technol, Hengyang 421001, Peoples R China.;[Yang, Pengfei] Univ South China, Hunan Prov Engn Technol Res Ctr Uranium Tailings, Hengyang 421001, Peoples R China.
通讯机构：
[Yang, Pengfei] H;[Yang, Pengfei] U;Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Peoples R China.;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Hunan Prov Engn Res Ctr Radioact Control Technol, Hengyang 421001, Peoples R China.
关键词：
Biomass;Carbon aerogel;Magnetization;Uranium(VI);Adsorption
摘要：
Magnetic carbon aerogels were prepared from inexpensive and readily available winter melon to adsorb U(VI). The morphology, structure, magnetism, characteristic functional groups and chemical bonds of magnetic carbon aerogels were characterized by TEM, SEM, XRD, BET, VSM, FT-IR, XPS. Under the condition of 303 K and pH 6, magnetic carbon aerogel reached adsorption equilibrium within 120 min, with the adsorption capacity of 230.3 mg g–1, much higher than that of carbon aerogel (77.9 mg g–1), which is the function of Fe–O. The good magnetism of magnetic carbon aerogels allows it to be easily separated from the solution by applying magnetic field. The adsorption isotherm data accord with Langmuir isothermal model. Adsorption is a spontaneous and endothermic process. © 2020, Akadémiai Kiadó, Budapest, Hungary.
语种：
英文
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Influence of CETP on high-density lipoprotein subclasses in patients with coronary heart disease
作者：
Ding, Lan;Jiang, Weifan;Chen, Zhijun;Zhang, Caiping;Tian, Ying* ;...
期刊：
CLINICAL LABORATORY ,2020年66(11):2261-2271 ISSN：1433-6510
通讯作者：
Tian, Ying;Long, Shiyin
作者机构：
[Ding, Lan; Tian, Ying; Long, Shiyin] Univ South China, Hunan Prov Key Lab Tumor Microenvironm Respons Dr, Hengyang 421001, Hunan, Peoples R China.;[Ding, Lan; Tian, Ying; Long, Shiyin; Zhang, Caiping] Univ South China, Dept Biochem & Mol Biol, Hengyang, Hunan, Peoples R China.;[Jiang, Weifan] South China Univ Technol, Sch Biol & Biol Engn, Guangzhou, Peoples R China.;[Chen, Zhijun] Chenzhou First Peoples Hosp, Dept Pathol, Chenzhou, Hunan, Peoples R China.
通讯机构：
[Tian, Y; Long, SY] U;Univ South China, Hunan Prov Key Lab Tumor Microenvironm Respons Dr, Hengyang 421001, Hunan, Peoples R China.
关键词：
Cholesteryl ester transfer protein;Coronary heart disease;HDL subclasses;Two-dimensional gel electrophoresis
摘要：
Background: Inhibition of plasma cholesteryl ester transfer protein (CETP) can effectively reduce the risk of atherosclerotic cardiovascular disease by increasing high-density lipoprotein cholesterol (HDL-C) levels, but the effect of CETP on the distributions of HDL subclasses in patients with coronary heart disease (CHD) is still elusive. Methods: To investigate the correlation between the level of CETP and the distributions of HDL subclasses, 121 healthy controls and 139 patients with CHD were selected as study subjects. The plasma levels of CETP and each HDL subclass were respectively determined by enzyme-linked immunosorbent assay and two-dimensional gel electrophoresis associated with the immunodetection method. At the same time, blood biochemical data from all subjects were collected, including the levels of triglycerides (TG), total cholesterol (TC), low-density lipoprotein cholesterol (LDL-C), HDL-C, apoA1, and apoB100. Correlation analysis and multiple regression analysis among the plasma HDL subclass values and biochemical parameters in subjects with CHD were conducted. Results: As the plasma level of CETP increases, the contents of TC, TG, and apoB100/A1 were obviously elevated, while the levels of HDL-C and apoA1 decreased significantly. For distributions of HDL subclasses, large-sized HDL2a and HDL2b were markedly decreased in the middle CETP group (p < 0.05) and the high CETP group (p < 0.001) compared to the low CETP group, while the small-sized preβ1-HDL was obviously increased. Intriguingly, when the plasma concentration of TC or TG in patients with CHD was higher, the elevated preβ1-HDL and reduced HDL2a were more dependent on the increase in CETP. Furthermore, correlation analysis and multiple regression analysis also confirmed that plasma CETP was positively correlated with preβ1-HDL levels and negatively correlated with HDL2b levels. Conclusions: The distributions of HDL subclasses were associated with CETP in patients with CHD, especially in those with high levels of TC and TG. CETP levels were associated with an increase in small-sized preβ1-HDL and a decrease in large-sized HDL subclasses, which indicated that CETP might be a limiter of reverse cholesterol transport and HDL maturation. © 2020 Verlag Klinisches Labor GmbH. All rights reserved.
语种：
英文
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Progesterone/Org inhibits lung adenocarcinoma cell growth via membrane progesterone receptor alpha
作者：
Xiao, Jian;Chen, Xi;Lu, Xiaoxiao;Xie, Mingxuan;He, Bixiu;...
期刊：
Thoracic Cancer ,2020年11(8):2209-2223 ISSN：1759-7706
通讯作者：
Chen, Qiong
作者机构：
[Xie, Mingxuan; He, Bixiu; Lu, Xiaoxiao; Chen, Qiong; Xiao, Jian] Cent South Univ, Xiangya Hosp, Natl Clin Res Ctr Geriatr Disorders, Changsha 410008, Hunan, Peoples R China.;[Xie, Mingxuan; He, Bixiu; Chen, Qiong; Xiao, Jian] Cent South Univ, Xiangya Hosp, Resp Med, Dept Geriatr, Changsha 410008, Hunan, Peoples R China.;[Chen, Xi] Cent South Univ, Xiangya Hosp, Dept Resp & Crit Care Med, Changsha, Hunan, Peoples R China.;[He, Shuya] Univ South China, Dept Biochem & Mol Biol, Hengyang, Peoples R China.;[You, Shaojin] Emory Univ, Lab Canc Expt Therapy, Histopathol Core, Atlanta Res & Educ Fdn 151F,Atlanta VA Med Ctr, Decatur, GA USA.
通讯机构：
[Chen, Qiong] C;Cent South Univ, Xiangya Hosp, Natl Clin Res Ctr Geriatr Disorders, Changsha 410008, Hunan, Peoples R China.;Cent South Univ, Xiangya Hosp, Resp Med, Dept Geriatr, Changsha 410008, Hunan, Peoples R China.
关键词：
Adenocarcinoma;lung cancer;mPR alpha;progesterone
摘要：
Background The aim of this study was to determine whether progesterone could inhibit the growth of lung adenocarcinoma cells via membrane progesterone receptor alpha (mPR alpha) and elucidate its potential mechanism. The relationship between mPR alpha expression and the survival prognosis of lung adenocarcinoma patients was studied. Methods A mPR alpha knockdown lung adenocarcinoma cell line was constructed and treated with P4 and Org (a derivative of P4 and specific agonist of mPR alpha). Cell proliferation was assessed using CCK-8 and plate colony formation assays. Protein expression was detected by western blotting. A nude mouse model of lung adenocarcinoma was established to assess the antitumor effect of P4/Org in vivo. Results We initially determined that mPR alpha could promote the development of lung adenocarcinoma through the following lines of evidence. High expression of mPR alpha both at the mRNA and protein level was significantly associated with the poor prognosis of lung adenocarcinoma patients. The downregulation of mPR alpha inhibited the proliferation of lung adenocarcinoma cells. We further showed that mPR alpha mediates the ability of P4 to inhibit the growth of lung adenocarcinoma cells through the following lines of evidence: P4/Org inhibited the proliferation of lung adenocarcinoma cells; mPR alpha mediated the ability of P4/Org to inhibit lung adenocarcinoma cell proliferation; mPR alpha mediated the ability of P4/Org to inhibit the PKA (cAMP-dependent protein kinase)/CREB (cAMP responsive element binding protein) and PKA/beta-catenin signaling pathways; and P4/Org inhibited the growth of a lung adenocarcinoma tumor model in vivo. Conclusions In summary, the results of our study show that progesterone can inhibit lung adenocarcinoma cell growth via mPR alpha.
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英文
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Novel photosensitizing properties of porphyrin–chrysin derivatives with antitumor activity in vitro
作者：
Liu, Ding;Zhang, Qizhi;Zhang, Lang;Yu, Wenmei;Long, Huizhi;...
期刊：
Journal of Chemical Research ,2020年44(7-8):494-504 ISSN：1747-5198
通讯作者：
Liu, Yunmei
作者机构：
[Liu, Yunmei; Yu, Wenmei; Liu, Ding; Zhang, Qizhi; Long, Huizhi] Univ South China, Hunan Prov Cooperat Innovat Ctr Mol Target New Dr, Inst Pharm & Pharmacol, Hengyang 421001, Peoples R China.;[Liu, Yunmei; Yu, Wenmei; Liu, Ding; Zhang, Qizhi; Long, Huizhi] Hunan Prov Key Lab Tumor Microenvironm Respons Dr, Hengyang, Peoples R China.;[Zhang, Lang; He, Jun] Univ South China, Inst Chem & Chem Engn, Hengyang, Peoples R China.
通讯机构：
[Liu, Yunmei] U;Univ South China, Hunan Prov Cooperat Innovat Ctr Mol Target New Dr, Inst Pharm & Pharmacol, Hengyang 421001, Peoples R China.
关键词：
porphyrins;chrysins;porphyrin-chrysin derivatives;synthesis;antitumor
摘要：
Photodynamic therapy is a promising cancer treatment with the advantages of low toxicity, high efficiency, and noninvasiveness. In this study, 23 novel porphyrin–chrysin derivatives are synthesized using alkyl carbon chains as bridges. We use human gastric cancer cells (MGC-803) and human cervical cancer cells to evaluate the in vitro antitumor activity of all the porphyrin–chrysin derivatives, with 5-fluorouracil (5-Fu) as a positive control. Several of the prepared compounds showed effective photodynamic killing effects, among which 5-hydroxy-2-phenyl-7-(2-(4-(10,15,20-tris(4-hydroxyphenyl)porphyrin-5-yl)phenoxy)ethoxy)-4H-chromen-4-one shows the highest antiproliferation activity on human cervical cancer cells, with a half maximal inhibitory concentration of 26.51 ± 1.15 µM. Flow cytometry analysis showed that human cervical cancer cell apoptosis might be induced by G1 phase arrest. © The Author(s) 2020.
语种：
英文
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Microwave-assisted 6π-electrocyclization in water
作者：
Wu, Yan;Lin, Ying-Wu;He, Wei-Min*
期刊：
中国化学快报：英文版 ,2020年31(12):2999-3000 ISSN：1001-8417
通讯作者：
He, Wei-Min
作者机构：
[Wu, Yan] Yangtze Normal Univ, Coll Chem & Chem Engn, Chongqing 408000, Peoples R China.;[Lin, Ying-Wu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[He, Wei-Min] Hunan Univ Sci & Engn, Dept Chem, Yongzhou 425100, Peoples R China.
通讯机构：
[He, Wei-Min] H;Hunan Univ Sci & Engn, Dept Chem, Yongzhou 425100, Peoples R China.
关键词：
6 pi-Electrocyclization;Quinoline-2-thiones;Microwave-assisted synthesis in water
摘要：
The recent development of microwave-assisted aqueous synthesis of polyheterocyclic-fused quinoline-2-thiones through 6π-electrocyclization was highlighted.
语种：
英文
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Correction: β-Cyclodextrin modified graphitic carbon nitride for the removal of pollutants from aqueous solution: Experimental and theoretical calculation study (Journal of Materials Chemistry A (2016) 4 (14170-14179) DOI: 10.1039/C6TA05958A)
作者：
Zou, Yidong;Wang, Xiangxue;Ai, Yuejie* ;Liu, Yunhai;Ji, Yongfei;...
期刊：
Journal of Materials Chemistry A ,2019年7(18):11539-11540 ISSN：2050-7488
通讯作者：
Ai, Yuejie;Wang, Xiangke;Hu, Wenping
作者机构：
[Wang, Xiangke; Wang, Xiangxue; Ai, Yuejie; Ai, YJ; Wang, XK; Zou, Yidong] North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.;[Liu, Yunhai; Zou, Yidong] East China Inst Technol, Sch Chem Biol & Mat Sci, Nanchang 330013, Jiangxi, Peoples R China.;[Wang, Xiangxue] Soochow Univ, Sch Radiol & Interdisciplinary Sci, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.;[Wang, Xiangke; Ji, Yongfei] Royal Inst Technol, Sch Biotechnol, Theoret Chem & Biol, Roslagstullsbacken 15, S-10691 Stockholm, Sweden.;[Wang, Xiangke; Wang, Hongqing] Univ South China, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Ai, YJ; Wang, XK] N;[Wang, Xiangke] R;[Wang, Xiangke] U;[Hu, Wenping] C;North China Elect Power Univ, Sch Environm & Chem Engn, Beijing 102206, Peoples R China.
摘要：
Correction for 'β-Cyclodextrin modified graphitic carbon nitride for the removal of pollutants from aqueous solution: experimental and theoretical calculation study' by Yidong Zou et al., J. Mater. Chem. A, 2016, 4, 14170-14179. The authors regret an error in Fig. 2 in the published article; a SEM image was misused in Fig. 2c in the published article due to a replication error in the PPT software. The authors confirm that this error does not have any impact on the conclusions of the original article. A corrected version of Fig. 2 is provided below: (Figure presented). © 2019 The Royal Society of Chemistry.
语种：
英文
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Assembly of (l+d)-Tryptophan Derivatives Containing an Imidazole Group Selectively Forms a Rare Purple Ni(2+)-Hydrogel.
作者：
Wang, Xiao-Juan;Wei, Chuan-Wan* ;Gao, Shu-Qin;He, Bo;Lin, Ying-Wu*
期刊：
ChemistryOpen ,2019年8(9):1172-1175 ISSN：2191-1363
通讯作者：
Wei, Chuan-Wan;Lin, Ying-Wu
作者机构：
[Wei, Chuan-Wan; Lin, Ying-Wu; Wang, Xiao-Juan; He, Bo] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Wei, Chuan-Wan; Lin, Ying-Wu; Wang, Xiao-Juan; He, Bo] Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Peoples R China.;[Gao, Shu-Qin; Lin, Ying-Wu] Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
通讯机构：
[Wei, CW; Lin, YW; Lin, Ying-Wu] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Peoples R China.;Univ South China, Lab Prot Struct & Funct, Hengyang 421001, Peoples R China.
关键词：
Metallohydrogel;purple hydrogel;tryptophan derivative;chiral gelator;assembly
摘要：
Design of metal-selective hydrogels is attractive due to potential applications in materials and biological sciences. Although much progress has been made, assembly of both l- and d-amino acid derivatives was less explored for design of metallohydrogels. In this study, we synthesized a facile and small tryptophan derivative containing an imidazole ligand with both l- and d- configurations (denoted as l/d-ImW). Intriguingly, the assembly of (l+d)-ImW gelators was found to selectively form a Ni2+-hydrogel in aqueous medium at room temperature, which shows a rare purple color and exhibits excellent multi-responsiveness. In addition to insights into the gelation mechanism, this study provides a novel approach to the design of metallohydrogels, by the assembly of (l+d)-amino acid derivatives containing both aromatic rings and multiple metal coordination sites.
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英文
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Fabrication of magnetic functionalised calix[4]arene composite for highly efficient and selective adsorption towards uranium(VI)
作者：
Xiao, Fang-Zhu;Wang, Cheng;Yu, Li-Mei;Pu, Yi-Qiu;Xu, Yu-Li;...
期刊：
Environmental Chemistry ,2019年16(8):577-586 ISSN：1448-2517
通讯作者：
He, Shu-Ya;Peng, Guo-Wen
作者机构：
[Xiao, Fang-Zhu; Zhu, Qi-Qi; He, Shu-Ya] Univ South China, Sch Publ Hlth, Hengyang 421001, Peoples R China.;[Xu, Yu-Li; Luo, Jia-Qi; Peng, Guo-Wen; Wang, Cheng] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Yu, Li-Mei] Xiangnan Univ, Sch Chem Biol & Environm Engn, Chenzhou 423000, Peoples R China.;[Pu, Yi-Qiu] Zhengan Agr & Pastoral Bur, Plant Protect Stn, Zunyi 563400, Guizhou, Peoples R China.;[Zhang, Kang; Peng, Guo-Wen; Chen, Fang; Liu, Yong] Univ South China, Sch Resource Environm & Safety Engn, Hengyang 421001, Peoples R China.
通讯机构：
[He, Shu-Ya; Peng, Guo-Wen] U;Univ South China, Sch Publ Hlth, Hengyang 421001, Peoples R China.;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Univ South China, Sch Resource Environm & Safety Engn, Hengyang 421001, Peoples R China.;Univ South China, Hunan Prov Engn Technol Res Ctr Uranium Tailings, Hengyang 421001, Peoples R China.
关键词：
calixarene, Fe3O4, magnetic materials, separation.
摘要：
A magnetic functionalised calix[4]arene composite consisting of Fe3O4 and calix[4]arene phosphonate derivative (CPD) was prepared through a facile self-assembly method. The composite was characterised by scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and Fourier transform infrared spectroscopy (FTIR). The as-synthesised Fe3O4/CPD composite was used to remove UVI from aqueous solutions under different conditions. Meanwhile, the adsorption isotherm, kinetics and thermodynamics were fitted and analysed. The results show that the Fe3O4/CPD composite may be a promising adsorption material for the separation and enrichment of UVI from aqueous solutions in the cleanup of environmental pollution. © 2019 CSIRO.
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英文
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Effective Removal of Anionic Re(VII) by Surface-Modified Ti2CTx MXene Nanocomposites: Implications for Tc(VII) Sequestration
作者：
Wang, Lin;Song, Huan;Yuan, Liyong;Li, Zijie;Zhang, Peng;...
期刊：
Environmental Science & Technology ,2019年53(7):3739-3747 ISSN：0013-936X
通讯作者：
Shi, Weiqun
作者机构：
[Zhang, Peng; Yuan, Liyong; Chai, Zhifang; Li, Zijie; Shi, Weiqun; Wang, Lin; Song, Huan] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.;[Zhang, Peng; Yuan, Liyong; Chai, Zhifang; Li, Zijie; Shi, Weiqun; Wang, Lin; Song, Huan] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.;[Wang, Hongqing; Song, Huan] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Wang, Hongqing; Song, Huan] Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Peoples R China.;[Gibson, John K.] LBNL, Chem Sci Div, Berkeley, CA 94720 USA.
通讯机构：
[Shi, Weiqun] C;Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.;Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China.
摘要：
Environmental contamination by 99Tc(VII) from radioactive wastewater streams is of particular concern due to the long half-life of 99Tc and high mobility of pertechnetate. Herein, we report a novel MXene-polyelectrolyte nanocomposite with three-dimensional networks for enhanced removal of perrhenate, which is pertechnetate simulant. The introduction of poly(diallyldimethylammonium chloride) (PDDA) regulates the surface charge and improves the stability of Ti2CTx nanosheet, resulting in Re(VII) removal capacity of up to 363 mg g-1, and fast sorption kinetics. The Ti2CTx/PDDA nanocomposite furthermore exhibits good selectivity for ReO4- when competing anions (such as Cl- and SO42-) coexist at a concentration of 1800 times. The immobilization mechanism was confirmed as a sorption-reduction process by batch sorption experiments and X-ray photoelectron spectroscopy. The pH-dependent reducing activity of Ti2CTx/PDDA nanocomposite toward Re(VII) was clarified by X-ray absorption spectroscopy. As the pH increases, the local environment gradually changes from octahedral-coordinated Re(IV) to tetrahedral-coordinated Re(VII). The overall results suggest that Ti2CTx/PDDA nanocomposite may be a promising candidate for efficient elimination of Tc contamination. The reported surface modification strategy might result in applications of MXene-based materials in environmental remediation of other oxidized anion pollutants. Copyright © 2019 American Chemical Society.
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英文
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Insight into Coordination of Uranyl Ions with N,N′-bis(2-five-membered heterocyclidene)-1,8-anthradiamines
作者：
Long, Li-yu;Tao, Peng;Li, Tian-liang;Wu, Si;Kong, Xiang-he;...
期刊：
Applied Organometallic Chemistry ,2019年33(6):e4931- ISSN：0268-2605
通讯作者：
Nie, Chang-ming
作者机构：
[Liao, Li-fu; Wu, Si; Long, Li-yu; Li, Tian-liang; Xiao, Xi-lin; Kong, Xiang-he; Tao, Peng; Nie, Chang-ming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Liao, Li-fu; Long, Li-yu; Xiao, Xi-lin; Tao, Peng; Nie, Chang-ming] Key Lab Hunan Prov Design & Applicat Nat Actinide, Hengyang 421001, Peoples R China.
通讯机构：
[Nie, Chang-ming] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
coordination;nitrogen family nonmetal elements;oxygen family nonmetal elements;uranyl;uranyl-BFHADAs
摘要：
To find new adsorbents for uranyl ions, the density functional theory (DFT) was adopted to design a series of new ligands containing an anthracene and two five-membered heterocycles with nitrogen family nonmetal elements (N, P, As) or oxygen family nonmetal elements (O, S, Se, Te), for example, ligands N,N′-bis(2-five-membered heterocyclidene)-1,8-anthradiamines (BFHADAs). Then the uranyl ions were coordinated with BFHADAs to generate five new coordination complexes (Uranyl-BFHADAs) with heteroatoms N, S, As, Se and Te, respectively. The five-membered heterocyclic rings of Uranyl-BFHADA with oxygen atoms were broken under the structural optimization and Uranyl-BFHADA with heterocyclic atoms P was not obtained. Several structures and property parameters of the ligands BFHADAs (containing heteroatoms N, S, As, Se and Te) and their uranyl complexes Uranyl-BFHADAs were theoretically investigated and analyzed. The results showed that uranyl ions could form stable coordination complexes with these five BFHADAs. The formed bonds between uranyl ions and the heteroatoms in BFHADAs were coordination bonds rather than other types of bonds. These results could provide insightful information and theoretical guidance for the coordination of uranyl with the atoms N, S, Se, As and Te in other ligands. © 2019 John Wiley & Sons, Ltd.
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英文
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A hydrolytically stable europium-organic framework for the selective detection of radioactive Th4+ in aqueous solution
作者：
Song, Liping;Liu, Wei;Wang, Yanlong;Chen, Lanhua;Wang, Xiao-Feng* ;...
期刊：
CrystEngComm ,2019年21(22):3471-3477 ISSN：1466-8033
通讯作者：
Wang, Xiao-Feng;Wang, Shuao
作者机构：
[Song, Liping; Wang, Xiao-Feng] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Song, Liping; Wang, Xiao-Feng] Univ South China, Hunan Prov Engn Res Ctr Radioact Control Technol, Hengyang 421001, Peoples R China.;[Chen, Lanhua; Liu, Wei; Song, Liping; Wang, Yanlong; Wang, Shuao] Soochow Univ, State Key Lab Radiat Med & Protect, Sch Radiol & Interdisciplinary Sci RAD X, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.;[Chen, Lanhua; Liu, Wei; Song, Liping; Wang, Yanlong; Wang, Shuao] Soochow Univ, Sch Radiat Med & Protect, Suzhou 215123, Peoples R China.
通讯机构：
[Wang, Xiao-Feng] U;[Wang, Shuao] S;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;Univ South China, Hunan Prov Engn Res Ctr Radioact Control Technol, Hengyang 421001, Peoples R China.;Soochow Univ, State Key Lab Radiat Med & Protect, Sch Radiol & Interdisciplinary Sci RAD X, Collaborat Innovat Ctr Radiat Med Jiangsu Higher, Suzhou 215123, Peoples R China.
摘要：
Thorium is not only a promising candidate for developing next generation nuclear fuel but also a potential radioactive contaminant. Efficient detection of thorium contamination is critically important in both nuclear science and environmental protection. We present here a 3D luminescent europium organic framework [Eu2(FDC)3(DMA)2]·4H2O (compound 1), which exhibits excellent hydrolytic stability and features highly selective detection capacity (KSV = 6.68 × 104) towards radioactive Th4+ ions among the selected monovalent, divalent and tervalent metal ions in aqueous solution. The detection limit of the material towards Th4+ is 3.49 × 10-5 mol L-1 which is close to the WHO standard. The detection capability and the sensing mechanism were demonstrated by Th4+ uptake kinetics, energy-dispersive spectroscopy mapping, absorption spectroscopy, luminescence lifetime, and competitive adsorption measurements. Compound 1 represents a rare case of a MOF based Th4+ probe. © The Royal Society of Chemistry 2019.
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英文
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Metal-Carboxyl Helical Chain Secondary Units Supported Ion-Exchangeable Anionic Uranyl–Organic Framework
作者：
Mei, Lei;Liu, Kang;Wu, Si;Kong, Xiang-He;Hu, Kong-Qiu;...
期刊：
CHEMISTRY-A EUROPEAN JOURNAL ,2019年25(44):10309-10313 ISSN：0947-6539
通讯作者：
Shi, Wei-Qun
作者机构：
[Mei, Lei; Liu, Kang; Wu, Si; Kong, Xiang-He; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Shi, Wei-Qun] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China;[Wu, Si; Nie, Chang-Ming] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China;[Chai, Zhi-Fang] Chinese Acad Sci, Engn Lab Adv Energy Mat, Ningbo Inst Ind Technol, Ningbo 315201, Zhejiang, Peoples R China;[Liu, Kang] Univ Chinese Acad Sci, Beijing 100039, Peoples R China
通讯机构：
[Shi, Wei-Qun] C;Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.
关键词：
actinides;anionic framework;helical chain;ion exchange;uranyl–organic compounds
摘要：
As a less explored avenue, actinide-based metal-organic frameworks (MOFs) are worth studying for the particularity of actinide nodes in coordination behaviour and assembly modes. In this work, an azobenzenetetracarboxylate-based anionic MOF supported by uranyl–carboxyl helical chain units was synthesized, incorporating linear uranyl as the metal centre. This kind of helical chain-type building unit is reported for the first time in uranyl-based MOFs. Structural analysis reveals that the formation of helical chain secondary units can be attributed to restricted equatorial coordination of rigid flat azobenzene ligand to uranyl centres. Meanwhile, this newly-synthesized anionic material has been used to remove Eu3+ ions, as a non-radioactive surrogate of Am3+ ion, through an ion-exchange process with [(CH3)2NH2]+ ions in its open channels, as evidenced by a combination of 1H NMR spectroscopy, EDS and PXRD. © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
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英文
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A new ratiometric and colorimetric fluorescent Th4+ probe under extreme acidity and cell imaging
作者：
Liu, Bo;Tan, Yanhong;Hu, Qinghua* ;Wang, Yuyuan;Mao, Yu;...
期刊：
Sensors and Actuators B-Chemical ,2019年296:126675-null ISSN：0925-4005
通讯作者：
Wang, Hongqing;Hu, Qinghua
作者机构：
[Wang, Hongqing; Liu, Bo; Wang, Yuyuan] Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.;[Tan, Yanhong; Tao, Peng; Hu, Qinghua; Mao, Yu] Univ South China, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Wang, Hongqing; Hu, Qinghua] U;Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
关键词：
Fluorescent probe;Tetraphenylethene;Th4+;Cell imaging
摘要：
It is always a significant challenge to develop a probe for Th4+ in the environment and in vivo under extreme acidity conditions, especially on real-time in the field. Herein, a new Th4+ fluorescent probe N1′,N2′-bis((3-hydroxytetrastyrene-2yl)methylene malonohydrazide (BH-TPE) was designed and studied. It could realize to detect Th4+ in a ratiometric way, which showed relative strong blue fluorescence at 450 nm and yellow-green fluorescence at 522 nm in the absence or present of Th4+, respectively, with good selectivity and sensitivity under extreme acidity environment. And the value of I522 /I450 of the probe had good linear relationship with Th4+ ion concentration in the range of 0–10 μM and the low detection limit 2 × 10−8 M. Meanwhile, it could monitor Th4+ ion by “naked eye” in the field on real-time due to the BH-TPE solution changed from colorless to light green with the increase of Th4+. Moreover, the possible fluorescent mechanism was proposed. Most importantly, the viability of BH-TPE to Th4+ ion was successfully applied to live cell imaging and environmental sample. © 2019 Elsevier B.V.
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英文
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Synthesis of X-Zeolite from Waste Basalt Powder and its Influencing Factors and Synthesis Mechanism.
作者：
Ke, Guojun;Shen, Haichen;Yang, Pengfei*
期刊：
Materials ,2019年12(23) ISSN：1996-1944
通讯作者：
Yang, Pengfei
作者机构：
[Shen, Haichen; Ke, Guojun] Univ South China, Sch Civil Engn, Hengyang 421001, Peoples R China.;[Shen, Haichen; Ke, Guojun] Univ South China, Key Lab Special High Performance Concrete, Hengyang 421001, Peoples R China.;[Yang, Pengfei] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[Yang, Pengfei] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
关键词：
basalt;mechanism;synthesis;zeolites
摘要：
Traditional hydrothermal method (TH) and alkali fusion-assisted hydrothermal method (AFH) were evaluated for the preparation of zeolites from waste basalt powder by using NaOH as the activation reagent in this study. The synthesized products were characterized by BET, XRD, FTIR and SEM. The effects of acid treatment, alkali/basalt ratio, calcination temperature and crystallization temperature on the synthesis process were studied. The results showed that AFH successfully synthesized zeolite X with higher crystallinity and no zeolite was formed by TH. The specific surface area of synthetic zeolite X was 486.46 m(2).g(-1), which was much larger than that of original basalt powder (12.12 m(2).g(-1)). Acid treatment and calcination temperature had no effect on zeolite types, but acid treatment improved the yield and quality of zeolite. Alkali/basalt ratio and crystallization temperature not only affected the crystallinity of synthesized zeolites but also affected its type. The optimum synthesis condition of zeolite X are as follows: acid treatment of 5 wt% HCl solution, NaOH/basalt ratio of 1:1, a calcination temperature of 650 degrees C and crystallization temperature of 120 degrees C. The work shows that basalt can be used as a raw material to prepare zeolite.
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英文
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Extraction properties for U(VI) by the 25, 27-dihydroxy-26, 28-dimercaptoethoxy-5, 11, 17, 23-tetra-tert-butyl calix[4]arene
作者：
Xiao, Fang-zhu;Pu, Yi-qiu;Wang, Cheng;Xu, Yu-li;Zhang, Kang;...
期刊：
Journal of Radioanalytical and Nuclear Chemistry ,2019年321(1):49-55 ISSN：0236-5731
通讯作者：
He, Shu-ya;Peng, Guo-wen
作者机构：
[He, Shu-ya; Xiao, Fang-zhu] Univ South China, Sch Publ Hlth, Hengyang 421001, Hunan, Peoples R China.;[Pu, Yi-qiu] Zhengan Cty Agr Bur, Zunyi 563400, Guizhou, Peoples R China.;[Peng, Guo-wen; Xu, Yu-li; Wang, Cheng] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Peng, Guo-wen; Zhang, Kang] Univ South China, Sch Resource Environm & Safety Engn, Hengyang 421001, Hunan, Peoples R China.;[Peng, Guo-wen; Xiao, Fang-zhu] Univ South China, Hunan Prov Engn Technol Res Ctr Uranium Tailings, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[He, Shu-ya; Peng, Guo-wen] U;Univ South China, Sch Publ Hlth, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Sch Resource Environm & Safety Engn, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Hunan Prov Engn Technol Res Ctr Uranium Tailings, Hengyang 421001, Hunan, Peoples R China.
关键词：
p-tert- butyl calix[4]arene;Thiophenol;Gibbs free energy;Coexisting cation
摘要：
The p-tert-butyl calix[4]arene thiophenol derivative was successfully synthesized with reflux condition and was characterized by FT-IR and 1H-NMR. This work mainly adopted the method of controlling variables. The results showed that the optimum pH value, temperature and extraction time were respectively 4.5, 25 °C and 90 min. By calculating the data of the enthalpy change and gibbs free energy, indicating that the process of reaction was an exothermic and spontaneous process, and it demonstrated a close agreement with pseudo-second-order kinetic model. It is also found that the coexisting cations on the extraction of uranium had greater influence. © 2019, Akadémiai Kiadó, Budapest, Hungary.
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英文
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Theoretical Insights into the Selective Extraction of Americium(III) over Europium(III) with Dithioamide-Based Ligands.
作者：
Wang, Cui;Wu, Qun-Yan;Kong, Xiang-He;Wang, Cong-Zhi;Lan, Jian-Hui;...
期刊：
INORGANIC CHEMISTRY ,2019年58(15):10047-10056 ISSN：0020-1669
通讯作者：
Shi, Wei-Qun
作者机构：
[Wu, Qun-Yan; Kong, Xiang-He; Chai, Zhi-Fang; Wang, Cong-Zhi; Lan, Jian-Hui; Shi, Wei-Qun; Wang, Cui] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.;[Nie, Chang-Ming; Kong, Xiang-He; Wang, Cui] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Chai, Zhi-Fang] Chinese Acad Sci, Ningbo Inst Ind Technol, Engn Lab Adv Energy Mat, Ningbo 315201, Zhejiang, Peoples R China.
通讯机构：
[Shi, Wei-Qun] C;Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China.
摘要：
Separation of trivalent actinides An(III) from lanthanides Ln(III) is a worldwide challenge owing to their very similar chemical behaviors. It is highly desirable to understand the nature of selectivity for the An(III)/Ln(III) separation with various ligands through theoretical calculations because of their radiotoxicity and experimental difficulties. In this work, we have investigated three dithioamide-based ligands and their extraction behaviors with Am(III) and Eu(III) ions using the scalar-relativistic density functional theory. The results show that the dithioamide-based ligands have stronger electron donating ability than do the corresponding diamide-based ones. All analyses including geometry, Mulliken population, QTAIM (quantum theory of atoms in molecules), and NBO (natural bond orbital) suggest that the Am-S/N bonds possess more covalency compared to the Eu-S/N bonds, and the M-S bonds have more covalent character than the M-N bonds. Thermodynamic results reveal that N2,N9-diethyl-N2,N9-di-p-tolyl-1,10-phenanthroline-2,9-bis(carbothioamide) (L1) has a stronger complexing ability with metal ions owing to its rigid structure and that N6,N6′-diethyl-N6,N6′-di-p-tolyl-[2,2′-bipyridine]-6,6′-bis(carbothioamide) (L2) shows a higher selectivity for the Am(III)/Eu(III) separation. In addition, these dithioamide-based ligands possess Am(III)/Eu(III) selectivity higher than those of the corresponding diamide-based ones, although the former have weaker complexing ability with metal ions, probably due to the greater covalency of the M-S bonds. This theoretical evaluation provides valuable insights into the nature of the selectivity for the Am(III)/Eu(III) separation and information on designing of efficient An(III)/Ln(III) separation with dithioamide-based ligands. © 2019 American Chemical Society.
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英文
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A near-infrared large Stokes shift probe based enhanced ICT strategy for F- detection in real samples and cell imaging
作者：
Hu, Qinghua;Huang, Qiuxiang;Mao, Yu;Liu, Xinlin;Tan, Fangrong;...
期刊：
Tetrahedron ,2019年75(51):130762 ISSN：0040-4020
通讯作者：
Wang, Hongqing
作者机构：
[Wang, Hongqing; Huang, Qiuxiang; Wu, Xumeng; Tan, Fangrong; Liu, Xinlin; Hu, Qinghua; Mao, Yu; Wang, Yuyuan; Yin, Qiang] Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Wang, Hongqing] U;Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Sch Chem & Chem Engn, 28 Changsheng West Rd, Hengyang 421001, Hunan, Peoples R China.
关键词：
Fluoride;Near-infrared fluorescence;Large Stokes shift;Fluorescent image
摘要：
In view of the few reports of the near-infrared emissive probe for fluorine ions, we herein designed and synthesized a new easy-to-get colorimetric and near-infrared emissive fluorescent probe (IS-NR-F) with a large Stokes shift (>127 nm). Based on specific F- triggered desilylation reaction induced enhanced ICT strategy involving the donor phenolate anion and the acceptor malononitrile, the probe exhibited dual colorimetric and fluorescent turn-on responses, and provided excellent selectivity for fluoride ions. The fluorescent response at 665 nm displayed very good linear relationship in the wide concentration range and deduced a low detection limit of 0.09 ppm. The detection mechanism was confirmed by H-1 NMR, ESIMS, and TLC calculation. Moreover, probe IS NR F has been successfully employed to detect F - in tap water, toothpaste samples, and fluorescent imaging of F- in HeLa cells. (C) 2019 Elsevier Ltd. All rights reserved.
语种：
英文
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Clean preparation of S-thiocarbamates with in situ generated hydroxide in 2-methyltetrahydrofuran
作者：
Bao, Wen-Hu;Wang, Zheng;Tang, Xiao;Zhang, Yun-Fu;Tan, Jia-Xi;...
期刊：
中国化学快报：英文版 ,2019年30(12):2259-2262 ISSN：1001-8417
通讯作者：
He, Wei-Min
作者机构：
[Zhang, Yun-Fu; Tang, Xiao; Bao, Wen-Hu; Wang, Zheng; He, Wei-Min; Tan, Jia-Xi] Hunan Univ Sci & Engn, Dept Chem, Yongzhou 425100, Peoples R China.;[Cao, Zhong; Zhu, Qin] Changsha Univ Sci & Technol, Hunan Prov Key Lab Mat Protect Elect Power & Tran, Changsha 410114, Peoples R China.;[Tan, Jia-Xi] Hunan Univ Sci & Technol, Sch Chem & Chem Engn, Xiangtan 411201, Peoples R China.;[Lin, Ying-Wu] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
通讯机构：
[He, Wei-Min] H;Hunan Univ Sci & Engn, Dept Chem, Yongzhou 425100, Peoples R China.
关键词：
Green chemistry;Hydroxide;Biomass;S-Thiocarbamates;2-Methyltetrahydrofuran
摘要：
A simple and clean protocol for the synthesis of various alkyl and (hetero)aryl S-thiocarbamates was established. The usage of in situ generated hydroxide as both an oxygen source and hydrogen source as well as biomass-derived 2-methyltetrahydrofuran as a green reaction medium, the avoidance of phosphorus-containing reductant, and the generation of harmless water and nitrogen as the side-products have given the present method atom-economy and environmental friendliness. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
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英文
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Green synthesis of citric acid-crosslinked beta-cyclodextrin for highly efficient removal of uranium(VI) from aqueous solution
作者：
Li, Wei;Liu, Huijun* ;Li, Liuxing;Liu, Kai;Liu, Juan;...
期刊：
Journal of Radioanalytical and Nuclear Chemistry ,2019年322(3):2033-2042 ISSN：0236-5731
通讯作者：
Liu, Huijun
作者机构：
[Tang, Ting; Liu, Juan; Liu, Huijun; Li, Wei; Jiang, Wenkang; Li, Liuxing; Liu, Kai] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Liu, Huijun; Li, Wei] Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Hunan, Peoples R China.
通讯机构：
[Liu, Huijun] U;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;Univ South China, Hunan Key Lab Design & Applicat Actinide Complexe, Hengyang 421001, Hunan, Peoples R China.
关键词：
beta-cyclodextrin;Citric acid;Polymer;Uranium;Adsorption
摘要：
In this paper, a green synthesized citric acid-crosslinked beta-cyclodextrin polymer (CA-beta-CD) was applied in removing uranium from aqueous solutions. Citric acid acts not only as cross-linker but also as functional groups for providing adsorption sites. The adsorption properties by varying experimental conditions were carried out by batch tests. The maximum adsorption capacity could reach 150 mg g(-1). Adsorption process was fitted better with the pseudo-second-order and Freundlich model. Thermodynamic studies proved that adsorption process was spontaneous and endothermic. More significantly, the polymer showed high selectivity for uranium and excellent reusability, demonstrating that CA-beta-CD can be utilized as a promising adsorbent for uranium.
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英文
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