A DFT study of the geometrical structures and electronic properties of CumMn (m + n = 6, M = Fe, Co, Ni) clusters

Wang Su Juan,Zhou Dan,Hu Yan Fei,Tang Cui Ming,Wang Qiao Zhi,Chen Shun Ling 한국물리학회 2021 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.79 No.3

In this work, we investigated bimetallic CumMn (m + n = 6, M = Fe, Co, Ni) clusters on the basis of the density functional theory at the M06L level. While changing the structure and composition, our team studied the geometrical structures, relative stabilities and electronic magnetic moments of these clusters. We found that the average atomic binding energies vary linearly with the number of doping atoms in the CumFen and the CumNin clusters. The values of electron affinity (EA) and the ionization potential (IP) for the CumNin clusters are closer to those of pure Cu clusters compared with the others. A negative value of the EA is only seen in CumFen clusters. The electronic magnetic moments of these clusters indicate that most of them exhibit a local minimum when doped with three atoms. Moreover, we further analyzed the HOMO–LUMO gaps, the natural population, and the geometrical structures.

Cathodic Reduction of Cu²⁺ and Electric Power Generation Using a Microbial Fuel Cell

Wang, Zejie,Lim, Bong-Su,Lu, Hui,Fan, Juan,Choi, Chan-Soo Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.7

When $Cu^{2+}$ was used as an electron acceptor, removal of $Cu^{2+}$ was achieved from the synthesized wastewater (SW) in the cathode compartment of a microbial fuel cell (MFC). By addition of $KNO_3$, the different initial pH of the SW showed no effect on the removal efficiency of $Cu^{2+}$. For $Cu^{2+}$ concentration of 50 mg/L the removal efficiencies were found to be 99.82%, 99.95%, 99.58%, and 99.97% for the $KNO_3$ concentrations of 0, 50, 100 and 200 mM, and to be 99.4%, 99.9%, 99.7%, and 99.7% for pH values of 2, 3, 4, and 5, respectively. More than 99% $Cu^{2+}$ was removed for the $Cu^{2+}$ concentrations of 10, 50, and 100 mg/L, while only 60.1% of $Cu^{2+}$ was removed for the initial concentration of 200 mg/L (pH 3). The maximum power density was affected by both $KNO_3$ concentration and initial concentration of $Cu^{2+}$. It was increased by a factor of 1.5 (from 96.2 to 143.6 mW/$m^2$) when the $KNO_3$ concentration was increased from 0 to 200 mM (50 mg/L $Cu^{2+}$), and by a factor of 2.7 (from 118 to 319 mW/$m^2$) when $Cu^{2+}$ concentration was increased from 10 to 200 mg/L (pH 3).

Changes in 11β-Hydroxysteroid Dehydrogenase and Glucocorticoid Receptor Expression in Kawasaki Disease

Juanli Wang,Nan Zhou,Shouzhen Wu,Xiaoyan Zhang,Decheng Su 대한심장학회 2017 Korean Circulation Journal Vol.47 No.3

Background and Objectives: This study aims to investigate the significance of changes in the expression 11β-hydroxysteroid dehydrogenase (11β-HSD) and glucocorticoid receptor (GR) for the development of Kawasaki disease (KD). Subjects and Methods: Real-time polymerase chain reaction was performed to determine the mRNA expression levels of GR and 11β-HSD in peripheral blood monocytes, both in the acute phase of the disease and after treatment. Western blotting was performed to determine the protein expression levels of GR and 11β-HSD. Results: The expression levels of GRβ, GRβ, and 11β-HSD1 mRNA in the acute phase were significantly higher than levels at baseline (p<0.01) and after treatment (p<0.05). The 11β-HSD2 mRNA levels were lower in the acute phase than in the normal group (p<0.01), and they were significantly higher after treatment than before (p<0.01). Western blot results were consistent with the real-time PCR results. The coronary artery lesion group exhibited significantly different 11β-HSD2 expression levels from that of the group with normal coronary arteries (p<0.01). Conclusion: GR and 11β-HSD expression changes in the acute phase of KD are important factors for regulating inflammatory responses in KD.

Remarkable impact of amino acids on ginsenoside transformation from fresh ginseng to red ginseng

Liu, Zhi,Wen, Xin,Wang, Chong-Zhi,Li, Wei,Huang, Wei-Hua,Xia, Juan,Ruan, Chang-Chun,Yuan, Chun-Su The Korean Society of Ginseng 2020 Journal of Ginseng Research Vol.44 No.3

Background: Amino acids are one of the major constituents in Panax ginseng, including neutral amino acid, acidic amino acid, and basic amino acid. However, whether these amino acids play a role in ginsenoside conversion during the steaming process has not yet been elucidated. Methods: In the present study, to elucidate the role of amino acids in ginsenoside transformation from fresh ginseng to red ginseng, an amino acids impregnation pretreatment was applied during the steaming process at 120℃. Acidic glutamic acid and basic arginine were used for the acid impregnation treatment during the root steaming. The ginsenosides contents, pH, browning intensity, and free amino acids contents in untreated and amino acid-treated P. ginseng samples were determined. Results: After 2 h of steaming, the concentration of less polar ginsenosides in glutamic acid-treated P. ginseng was significantly higher than that in untreated P. ginseng during the steaming process. However, the less polar ginsenosides in arginine-treated P. ginseng increased slightly. Meanwhile, free amino acids contents in fresh P. ginseng, glutamic acid-treated P. ginseng, and arginine-treated P. ginseng significantly decreased during steaming from 0 to 2h. The pH also decreased in P. ginseng samples at high temperatures. The pH decrease in red ginseng was closely related to the decrease in basic amino acids levels during the steaming process. Conclusion: Amino acids can remarkably affect the acidity of P. ginseng sample by altering the pH value. They were the main influential factors for the ginsenoside transformation. These results are useful in elucidating why and how steaming induces the structural change of ginsenoside inP. ginseng and also provides an effective and green approach to regulate the ginsenoside conversion using amino acids during the steaming process.

Tiny Basic Nickel Carbonate Arrays/Reduced Graphene Oxide Composite for High-Efficiency Supercapacitor Application

Zhengmin Yu,Xiaoli Su,Denghu Wei,Shu-Juan Yao,Huiyan Ma,Hui Zhao,Xipeng Pu,Wenzhi Li,Jie Wang 성균관대학교(자연과학캠퍼스) 성균나노과학기술원 2019 NANO Vol.14 No.4

3D structure composite made of tiny basic nickel carbonate arrays on the surface of reduced graphene oxide nanosheets (G-NiCH) are prepared by the hydrothermal method. The specific surface area of the G-NiCH composites is twice that of single basic nickel carbonate, which is due to the tiny basic nickel carbonate arrays structure wherein each individual nanoneedle is about 20 nm in length and 2 nm in width. The G-NiCH electrodes display high-efficiency electrochemical performance with good specific capacitance (1230 F g -1) and excellent stability (100% capacitance retention after 2000 cycles). This is attributed to the synergistic effect that reduced graphene oxide offer fast electron transmission path and basic nickel carbonate act as high effective active material.

Remarkable impact of amino acids on ginsenoside transformation from fresh ginseng to red ginseng

Zhi Liu,Xin Wen,Chong-Zhi Wang,Wei Li,Wei-Hua Huang,Juan Xia,Chang-Chun Ruan,Chun-Su Yuan 고려인삼학회 2020 Journal of Ginseng Research Vol.44 No.3

Background: Amino acids are one of the major constituents in Panax ginseng, including neutral aminoacid, acidic amino acid, and basic amino acid. However, whether these amino acids play a role in ginsenosideconversion during the steaming process has not yet been elucidated. Methods: In the present study, to elucidate the role of amino acids in ginsenoside transformation fromfresh ginseng to red ginseng, an amino acids impregnation pretreatment was applied during thesteaming process at 120 C. Acidic glutamic acid and basic arginine were used for the acid impregnationtreatment during the root steaming. The ginsenosides contents, pH, browning intensity, and free aminoacids contents in untreated and amino acidetreated P. ginseng samples were determined. Results: After 2 h of steaming, the concentration of less polar ginsenosides in glutamic acidetreatedP. ginseng was significantly higher than that in untreated P. ginseng during the steaming process. However,the less polar ginsenosides in arginine-treated P. ginseng increased slightly. Meanwhile, free aminoacids contents in fresh P. ginseng, glutamic acid-treated P. ginseng, and arginine-treated P. ginsengsignificantly decreased during steaming from 0 to 2h. The pH also decreased in P. ginseng samples at hightemperatures. The pH decrease in red ginseng was closely related to the decrease in basic amino acidslevels during the steaming process. Conclusion: Amino acids can remarkably affect the acidity of P. ginseng sample by altering the pH value. Theywere the main influential factors for the ginsenoside transformation. These results are useful in elucidatingwhy andhowsteaming induces the structural change of ginsenoside in P. ginseng and also provides an effectiveand green approach to regulate the ginsenoside conversion using amino acids during the steaming process.

A Novel Approach to Cloning and Expression of Human Thymidylate Synthase

Lv, Ying-Tao,Du, Pei-Juan,Wang, Qiao-Yan,Tan, Yuan,Sun, Zong-Bin,Su, Zhong-Liang,Kang, Cong-Min Asian Pacific Journal of Cancer Prevention 2013 Asian Pacific journal of cancer prevention Vol.14 No.12

Thymidylate synthase (TS) catalyzes the transfer of a methyl group from methylenetetrahydrofolate to dUMP to form dTMP. It is a primary target in the chemotherapy of colorectal cancers and some other neoplasms. In order to obtain pure protein for analysis of structure and biological function, an expression vector TS-pET28b (+) was constructed by inserting wild-type human thymidylate synthase (hTS) cDNA into pET28b (+). Then an expression strain was selected after transformation of the recombined plasmid into Rosetta (DE3). Fusion protein with His-tag was efficiently expressed in the form of inclusion bodies after IPTG induction and the content was approximately 40.0% of total bacteria proteins after optimizing expression conditions. When inclusion bodies were washed, dissolved and purified by Ni-NTA under denatured conditions, the purity was up to 90%. On SDS-PAGE and West-blotting, the protein band was found to match well with the predicted relative molecular mass-36kDa. Bioactivity was 0.1 U/mg. The results indicated that high-level expression of wild-type hTS cDNA can be achieved in prokaryotes with our novel method, facilitating research into related chemotherapy.

Calcination and sintering effects on the microstructure and dielectric properties of CaCu3Ti4O12 ceramics

Peng Liu,Lei Cao,Jian-Ping Zhou,Ya-Juan Wang,Li-Na Su,Cheng Liu,Huai-Wu Zhang 한양대학교 세라믹연구소 2010 Journal of Ceramic Processing Research Vol.11 No.4

CaCu3Ti4O12 (CCTO) ceramics were fabricated by a conventional solid-state reaction at various calcination and sintering temperatures. Depending on the relative dielectric constant (εr) at 1 kHz, the specimens can be categorized into three types:type A (εr < 5 × 104), type B (5 × 104 < εr < 105) and type C (εr > 105). The value of εr is closely related to the microstructure:type-A specimens show a morphology with large grains embedded in a small-grained matrix, type-B specimens present a network structure and type-C specimens display a core-shell structure. Different dielectric loss variation tendencies are observed in the type-A specimens, which can be well explained by impedance spectroscopy analysis and further confirmed by the EDX results. Also, the proper calcination and sintering temperature ranges needed to achieve good comprehensive properties are given.

SSR and SCAR mapping of a multiple-allele male-sterile gene in Chinese cabbage (Brassica rapa L.)

Feng, Hui,Wei, Peng,Piao, Zhong-Yun,Liu, Zhi-Yong,Li, Cheng-Yu,Wang, Yu-Gang,Ji, Rui-Qin,Ji, Shu-Juan,Zou, Ting,Choi, Su-Ryun,Lim, Yong-Pyo Springer-Verlag 2009 TAG. Theoretical and applied genetics. Theoretisch Vol.119 No.2