CASPT2 Study on the Low-lying Electronic States of 1,3,5-C₆H₃Cl₃⁺ Ion

Yu, Shu-Yuan,Zhang, Cheng-Gen,Wang, Shu-Jun Korean Chemical Society 2014 Bulletin of the Korean Chemical Society Vol.35 No.5

The multiconfiguration second-order perturbation theory (CASPT2) and complete active space self-consistent field (CASSCF) methods were employed to calculate the geometries and energy levels for the low-lying electronic states of 1,3,5-$C_6H_3Cl{_3}^+$ ion. The CASPT2 values for the 1,3,5-$C_6H_3Cl{_3}^+$ ion were in reasonable agreement with the available experimental values. The current calculations augmented previous theoretical investigations on the ground state and assigned the low-lying excited electronic states of the 1,3,5-$C_6H_3Cl{_3}^+$ ion. The Jahn-Teller distortion in the excited electronic state for the 1,3,5-$C_6H_3Cl{_3}^+$ ion were reported for the first time.

CASPT2 Study on the Low-lying Electronic States of 1,3,5-C6H3Cl3 + Ion

Shu-Yuan Yu,Cheng-Gen Zhang,Shu-Jun Wang 대한화학회 2014 Bulletin of the Korean Chemical Society Vol.35 No.5

The multiconfiguration second-order perturbation theory (CASPT2) and complete active space self-consistent field (CASSCF) methods were employed to calculate the geometries and energy levels for the low-lying electronic states of 1,3,5-C6H3Cl3 + ion. The CASPT2 values for the 1,3,5-C6H3Cl3 + ion were in reasonable agreement with the available experimental values. The current calculations augmented previous theoretical investigations on the ground state and assigned the low-lying excited electronic states of the 1,3,5-C6H3Cl3 + ion. The Jahn-Teller distortion in the excited electronic state for the 1,3,5-C6H3Cl3 + ion were reported for the first time.

Increased Serotonin Signaling Contributes to the Warburg Effect in Pancreatic Tumor Cells Under Metabolic Stress and Promotes Growth of Pancreatic Tumors in Mice

Jiang, Shu-Heng,Li, Jun,Dong, Fang-Yuan,Yang, Jian-Yu,Liu, De-Jun,Yang, Xiao-Mei,Wang, Ya-Hui,Yang, Min-Wei,Fu, Xue-Liang,Zhang, Xiao-Xin,Li, Qing,Pang, Xiu-Feng,Huo, Yan-Miao,Li, Jiao,Zhang, Jun-Feng Elsevier 2017 Gastroenterology Vol.153 No.1

<P><B>Background & Aims</B></P> <P>Desmoplasia and poor vascularity cause severe metabolic stress in pancreatic ductal adenocarcinomas (PDACs). Serotonin (5-HT) is a neuromodulator with neurotransmitter and neuroendocrine functions that contributes to tumorigenesis. We investigated the role of 5-HT signaling in the growth of pancreatic tumors.</P> <P><B>Methods</B></P> <P>We measured the levels of proteins that regulate 5-HT synthesis, packaging, and degradation in pancreata from Kras<SUP>G12D/+</SUP>/Trp53<SUP>R172H/+</SUP>/Pdx1-Cre (KPC) mice, which develop pancreatic tumors, as well as in PDAC cell lines and a tissue microarray containing 81 human PDAC samples. We also analyzed expression levels of proteins involved in 5-HT synthesis and degradation by immunohistochemical analysis of a tissue microarray containing 311 PDAC specimens, and associated expression levels with patient survival times. 5-HT level in 14 matched PDAC tumor and non-tumor tissues were analyzed by ELISA. PDAC cell lines were incubated with 5-HT and cell survival and apoptosis were measured. We analyzed expression of the 5-HT receptor HTR2B in PDAC cells and effects of receptor agonists and antagonists, as well as HTR2B knockdown with small hairpin RNAs. We determined the effects of 5-HT stimulation on gene expression profiles of BxPC-3 cells. Regulation of glycolysis by 5-HT signaling via HTR2B was assessed by immunofluorescence and immunoprecipitation analyses, as well as by determination of the extracellular acid ratio, glucose consumption, and lactate production. Primary PDACs, with or without exposure to SB204741 (a selective antagonist of HTR2B), were grown as xenograft tumors in mice, and SB204741 was administered to tumor-bearing KPC mice; tumor growth and metabolism were measured by imaging analyses.</P> <P><B>Results</B></P> <P>In immunohistochemical analysis of a tissue microarray of PDAC specimens, increased levels of TPH1 and decreased level of MAOA, which regulate 5-HT synthesis and degradation, correlated with stage and size of PDACs and shorter patient survival time. We found levels of 5-HT to be increased in human PDAC tissues compared with non-tumor pancreatic tissues, and PDAC cell lines compared with non-transformed pancreatic cells. Incubation of PDAC cell lines with 5-HT increased proliferation and prevented apoptosis. Agonists of HTR2B, but not other 5-HT receptors, promoted proliferation and prevented apoptosis of PDAC cells. Knockdown of HTR2B in PDAC cells, or incubation of cells with HTR2B inhibitors, reduced their growth as xenograft tumors in mice. We observed a correlation between 5-HT and glycolytic flux in PDAC cells; levels of metabolic enzymes involved in glycolysis, the phosphate pentose pathway, and hexosamine biosynthesis pathway increased significantly in PDAC cells following 5-HT stimulation. 5-HT stimulation led to formation of the HTR2B–LYN–p85 complex, which increased PI3K–Akt–mTOR signaling and the Warburg effect by increasing protein levels of MYC and HIF1A. Administration of SB204741 to KPC mice slowed growth and metabolism of established pancreatic tumors and prolonged survival of the mice.</P> <P><B>Conclusions</B></P> <P>Human PDACs have increased levels of 5-HT, and PDAC cells increase expression of its receptor, HTR2B. These increases allow for tumor glycolysis under metabolic stress and promote growth of pancreatic tumors and PDAC xenograft tumors in mice.</P>

Synthesis of a Series of Zinc Porphyrins and Spectroscopic Changes upon Coordination Reaction with Imidazole Derivatives

Shu-Jun Wang,Yu-Ling Peng,Cheng-Gen Zhang,Yong-Bing Li,Chao Liu 대한화학회 2015 Bulletin of the Korean Chemical Society Vol.36 No.11

Three metal-free porphyrins modified with Boc-l-threonine and their zinc analogs were synthesized and characterized by elemental analysis,1H NMR, UV/vis, and fluorescence spectroscopies. The binding of imidazole derivatives to these zinc porphyrins was studied, with emphasis on the binding mechanism in CH2Cl2 solution, by means of UV/vis spectroscopy and quantum chemical methods. Both experimental results and theoretical calculations showed that a coordination reaction occurred between the zinc porphyrins and imidazole derivatives. The association constants between the zinc porphyrins and imidazole derivatives decreased in the order N-MeIm>Im. Increasing the temperature disfavored the interaction. Thermodynamic parameters calculated by the van't Hoff equation showed that the driving force for the reaction was the enthalpy change. The fluorescence changes associated with the interaction between the zinc porphyrins and imidazole derivatives were also studied by fluorescence spectroscopy. The experimental results showed significant quenching between the various zinc porphyrins and imidazole derivatives.

Synthesis of Tailed Metalloporphyrins Modified with 2-Chloronicotinic Acid and Interactions with Human Serum Albumin

Shu-Jun Wang,Yu-Ling Peng,Cheng-Gen Zhang,Qi Peng Ma,Xiao Xia Peng,Li Lei Ren 대한화학회 2017 Bulletin of the Korean Chemical Society Vol.38 No.7

Two kinds of free-base tailed porphyrins modified with 2-chloronicotinic acid and the corresponding Zn porphyrins have been synthesized. They have been characterized by elemental analysis and NMR, UV/Vis, fluorescence spectra, and infrared spectroscopies. Their configurations have been optimized through theoretical calculations. The fluorescence quantum yields were determined by a comparative method. The interactions between the Zn porphyrins and human serum albumin have been studied by means of fluorescence spectra. The experimental results showed that the interaction mechanism involved a combined fluorescence quenching process (static and dynamic quenching) and that the main driving force was hydrophobic in nature. Quenching constants, binding constants, thermodynamic parameters, and binding distances have been determined.

Auricular acupressure promotes uterine involution after cesarean section: A randomized controlled trial

Shu-xin Wang,Jing-chun Zeng,Ting Li,Wan-lan Zhang,Yan-fang Li,Run-jin Zhou,Zi-jun Liu,Yu-ling Liu,Xun Zhuang,Rui Zhang,Li-ming Lu,Guo-hua Lin 한국한의학연구원 2021 Integrative Medicine Research Vol.10 No.3

Background: Postpartum subinvolution of the uterus is a more common condition after cesarean section. Auricular acupressure (AA) is widely used for the treatment of postpartum diseases. However, few studies have explored the effects of AA as a treatment of uterine involution following cesarean section to date. This study aimed to assess the efficacy and safety of AA for uterine involution after cesarean section. Methods: A total of 109 women who underwent cesarean section participated in this study. They were randomly allocated to either real AA or sham AA in a 1:1 ratio by a computer program. For 3 days, the real AA and sham AA groups received treatment 3 times daily. A series of assessments at 42 days after cesarean section, namely on the uterine size, the incidence of hydrometra, the first anal exsufflation time, bleeding volume at 6 hours, bleeding volume at 6–24 hours along with other general assessments were carried out. Results: A total of 89 women completed the study. The uterine size at 42 days after a cesarean section was 6.3 cm smaller in the real AA group than in the sham AA group (P < 0.01). The incidence of hydrometra on day 42 postpartum was lower in the real AA group than in the sham AA group (P < 0.01). The lochia duration and the first anal exsufflation time after cesarean section were shorter in the real AA group than in the sham AA group (P < 0.05). Conclusion: AA improves uterine involution after cesarean section. Trial registration: ChiCTR1800015569.

Circular RNA cFAM210A, degradable by HBx, inhibits HCC tumorigenesis by suppressing YBX1 transactivation

Yu Jian,Li Wen,Hou Guo-jun,Sun Da-peng,Yang Yuan,Yuan Sheng-xian,Dai Zhi-hui,Yin Hao-zan,Sun Shu-han,Huang Gang,Zhou Wei-ping,Yang Fu 생화학분자생물학회 2023 Experimental and molecular medicine Vol.55 No.-

Hepatitis B protein x (HBx) has been reported to promote tumorigenesis in hepatitis B virus (HBV)-related hepatocellular carcinoma (HCC), but the mechanism awaits further investigation. In this study, we found that cFAM210A (a circular RNA derived from the third exon of transcript NM_001098801 of the FAM210A gene; CircBase ID: hsa_circ_0003979) can be silenced by HBx. cFAM210A expression was downregulated and negatively correlated with tumorigenesis in patients with HBV-related HCC. Furthermore, cFAM210A reduced the proliferation, stemness, and tumorigenicity of HCC cells. Mechanistically, HBx increased the N6-methyladenosine (m6A) level of cFAM210A by promoting the expression of RBM15 (an m6A methyltransferase), thus inducing the degradation of cFAM210A via the YTHDF2-HRSP12-RNase P/MRP pathway. cFAM210A bound to YBX1 and inhibited its phosphorylation, suppressing its transactivation function toward MET. These findings suggest the important role of circular RNAs in HBx-induced hepatocarcinogenesis and identify cFAM210A a potential target in the prevention and treatment of HBV-related HCC.

Spine Metastasis Practice Patterns among Korean, Chinese, and Japanese Radiation Oncologists: A Multinational Online Survey Study

Yu, Jeong Il,Park, Hee Chul,Ahn, Yong Chan,Gao, Xian-Shu,Wang, Jun-Jie,Zeng, Zhao-Chong,Ito, Yoshinori,Ohno, Tatsuya,Nishimura, Yasumasa Oxford University Press 2017 Journal of radiation research Vol.58 No.1

<P>This online survey of practising radiation oncologists from Korea, China and Japan was conducted to investigate the current practices in radiotherapy (RT) for spine metastasis and to compare these practices across the three countries. The questionnaire included nine general information questions and two clinical scenarios (representing ‘typical’ and ‘good’ prognosis spine metastasis), with seven questions for each scenario. An anonymous web-based survey using Google Docs® was undertaken from 2 September 2014 to 9 April 2015. A total of 54 Korean, 107 Chinese and 104 Japanese radiation oncologists participated in the study. The first scenario involved a typical case of spine metastasis (~25% expected 1-year survival rate), and the preferred fractionation scheme was 10 fractions of 3 Gy, though the pattern was slightly different in each country. The second scenario involved a good prognosis case (>50% expected 1-year survival rate), and 10 fractions of 3 Gy was the preferred practice in all three countries (however, use of a larger fraction dose with a smaller fraction number was more common in Korea). A more conformal RT technique was more prominent in China and Korea, especially for patients with a good prognosis. Avoidance of reirradiation was notable in China. In summary, a preference for multiple fractionation in RT for spine metastasis was observed in the majority of Korean, Chinese and Japanese radiation oncologists, although there were slight differences in practice preferences, especially for patients with a favorable prognosis.</P>

MiR-675 Promotes the Growth of Hepatocellular Carcinoma Cells Through Cdc25A Pathway

Yu, Ya-Qun,Weng, Jun,Li, Shu-Qun,Li, Bo,Lv, Jun Asian Pacific Journal of Cancer Prevention 2016 Asian Pacific journal of cancer prevention Vol.17 No.8

Background: MicroRNAs (miRNAs) have fundamental roles in tumorigenesis. MiR-675 is upregulated in hepatocellular carcinoma(HCC) cells. However, the roles of miR-675 in hepatocellular carcinogenesis are still not fully elucidated. In this study, we focus on investigating the effect and mechanism of miR-675 in proliferation of HCC cells. Materials and Methods: The cell proliferation was measured by MTT assays after transfection with miR-675 inhibitor and miR-675 mimics in HCC cells. The expression level of miR-675 was detected by real-time quantitative reverse transcription polymerase chain reaction. Protein expression of Cdc25A was measured by western blotting analysis. Results: In MTT assays, overexpression of miR-675 promoted the proliferation of HCC cells(P<0.05. at 48 hours, P<0.01. at 72 hours) compared with the miR-675mimics control group. Downexpression of miR-675 inhibited the proliferation of HCC cells(P<0.05. at 48 hours, P<0.01. at 72 hours) compared with the miR-675inhibitor control group. In western blotting analysis, the expression level of Cdc25A was significantly increased (p<0.05) after treatment with miR-675 mimics. The expression level of Cdc25A was significantly decreased (p<0.05) after treatment with miR-675 inhibitor. Conclusions: Our results indicate that miR-675 promotes the proliferation in human hepatocellular carcinoma cells by associating with Cdc25A signaling pathway.

Microstructure evolution and enhanced vacuum tribological performance of Ni-doped WS₂ composite coating

Xu, Shu-Sheng,Weng, Li-Jun,Liu, Yu-Zhen,Kang, Kyeong-Hee,Kim, Chang-Lae,Kim, Dae-Eun Elsevier Sequoia 2017 Surface & coatings technology Vol.325 No.-

<P><B>Abstract</B></P> <P>Ni-doped WS<SUB>2</SUB> composite coatings with various Ni contents were co-deposited using a radio frequency sputtering system on silicon wafer and AISI 440C stainless steel substrates. The microstructural characteristics of the WS<SUB>2</SUB>-Ni composite coatings and their tribological properties in vacuum were assessed. During introduction of Ni dopant in the WS<SUB>2</SUB>-Ni composite coating the sulfur/tungsten (S/W) ratio in the coating increased due to reduced preferential resputtering of sulfur atoms in the growing coating. The microstructure of the WS<SUB>2</SUB>-Ni composite coating varied from a fine columnar structure for Ni content equal to or less than 7.7at.% to a featureless structure as the Ni content increased further. The Ni dopant inhibited the growth of the coarse columnar WS<SUB>2</SUB> platelets which was accompanied by nanocrystallization and amorphization of the composite coating structure. WS<SUB>2</SUB>-Ni composite coatings with fine columnar structure exhibited relatively low hardness but showed a high tendency to form a lubricating transfer layer. It also demonstrated low brittleness and prolonged wear life in vacuum condition compared to coatings with dense featureless structure. The variation in tribological performance between the composite coatings resulted from the different wear mechanisms associated with their distinct microstructures.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Microstructure of WS<SUB>2</SUB> coating was modified by incorporating Ni as a dopant. </LI> <LI> The introduction of Ni increased the S/W ratio of the WS<SUB>2</SUB> composite coating. </LI> <LI> High Ni content in the WS<SUB>2</SUB> coating led to high brittleness and low wear resistance. </LI> <LI> WS<SUB>2</SUB>–5at.% Ni coating showed 5 times longer wear life than pure WS<SUB>2</SUB> film in vacuum. </LI> <LI> Superior tribological properties were attributed to transfer layer and high hardness. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>