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.

Copolymerization Mechanisms of Propylene and Norbornadiene Catalyzed by Zirconocene Complexes: A Density Functional Theory Study

Shu-Yuan Yu,Ping Ren,Hui-Min Zheng,Cheng-Gen Zhang 대한화학회 2018 Bulletin of the Korean Chemical Society Vol.39 No.3

Copolymerization mechanisms of norbornadiene (NBD) and propylene, catalyzed by three zirconocene catalysts (namely, rac-Me2Si(2-Me-4-Ph-Ind)2ZrCl2/MAO (catA), rac-Me2Si(Ind)2ZrCl2/MAO (catB), and rac-CH2CH2(Ind)2ZrCl2/MAO(catC)), have been studied, using density functional theory computations. It has been found that the barrier (28.5 kcal mol−1) for the insertion of propylene to the [Zr]A-NBD-PP1 (the NBD insertion product) is significantly higher than those to [Zr]B-NBD-PP1 (22.9 kcal mol−1) and [Zr]C-NBD-PP1 (20.5 kcal mol−1), rationalizing the experimental observation that addition of NBD deactivated catA system but only lowered the catalytic activity of catB and catC systems. However, [Zr]A-NBD-PP1 can react with H2 easily, which displaces NBD−PP1 chain and gives active [Zr]A−H species to continue copolymerization, which is why the introduction of H2 could recover the catalytic activity of catA system.

The Influence of Resilience on the Coping Strategies in Patients with Primary Brain Tumors

Shu-Yuan Liang,Hui-Chun Liu,Yu-Ying Lu,Shu-Fang Wu,Ching-Hui Chien,Shiow-Luan Tsay 한국간호과학회 2020 Asian Nursing Research Vol.14 No.1

Purpose: The purpose of this study was to assess the amount of variance in the coping strategies of patients with brain tumors that could be accounted for by resilience. Methods: This cross-sectional survey involved 95 patients who had experienced surgical, chemotherapy, or radiotherapy therapies for their brain tumors at least 1 month before data collection. The investigator collected data using the scales of the Ways of Coping Checklist-Revised and Resilience Scale. Data were analyzed using descriptive statistics, t tests, analysis of variance, Pearson product–moment correlation, and hierarchical multiple regression. Results: The results revealed that resilience was significantly positively associated with patients' problem-focused coping (r = .65, p < .001) and total coping (r = .49, p < .001). In addition, resilience accounted for 27% (R2inc = .27, p < .001) and 16% (R2inc = .16, p < .001) of the distinct variances in predicting patients’ problem-focused coping and total coping. Conclusion: The current results provide evidence to support the importance of resilience in shaping the coping strategies of relevant patients. As resilience shows a crucial element in patient coping with brain tumors, health team members should develop and employ appropriate strategies to improve the resilience of patients with brain tumors.

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.

Polysaccharide from Polygonatum Inhibits the Proliferation of Prostate Cancer-Associated Fibroblasts Cells

Han, Shu-Yu,Hu, Ming-Hua,Qi, Guan-Yun,Ma, Chao-Xiong,Wang, Yuan-Yuan,Ma, Fang-Li,Tao, Ning,Qin, Zhi-Hai Asian Pacific Journal of Cancer Prevention 2016 Asian Pacific journal of cancer prevention Vol.17 No.8

Inhibition of cancer-associated fibroblasts (CAFs) may improve the efficacy of cancer therapy. Polysaccharide extracted from polygonatum can selectively inhibit the growth of prostate-CAFs (p<0.001) without inhibiting the growth of normal fibroblasts (NAFs). Polysaccharides from polygonatum stimulate autophagy of prostate-CAFs. 3-methyl-adenine(3-MA) is an autophagy inhibitor. 3-MA was added to prostate-CAFs with polysaccharide from polygonatum to determine whether autophagy plays an important role in the restrained effect. Finally, polysaccharide from polygonatum treatment significantly increased the activation of Beclin-1 and LC3, key autophagy proteins. Polysaccharide from polygonatum stimulates autophagy of prostate-CAFs and inhibits prostate-CAF growth, indicating that a novel anti-cancer strategy involves inhibiting the growth of prostate-CAFs.

Latent tuberculosis infection increases in kidney transplant recipients compared with transplant candidates: a neglected perspective in tuberculosis control

( Chin-chung Shu ),( Meng-kun Tsai ),( Shu-wei Lin ),( Chih-yuan Lee ),( Jann-yuan Wang ),( Chong-jen Yu ) 대한결핵 및 호흡기학회 2019 대한결핵 및 호흡기학회 추계학술대회 초록집 Vol.127 No.-

Background: The prevalence and incidence of latent tuberculosis infection (LTBI) in patients with kidney transplant remains unclear. Methods: In this prospective study, we enrolled kidney transplant candidates (KTCs) and recipients (KTRs) from 2014 to 2018. We defined LTBI as a positive result of QuantiFERON-TB Gold In-tube (QFT). We analyzed the predictors for LTBI acquisition and followed QFT test for 2 years among those initially without LTBI. Results: Of 425 patients enrolled, 305 (71.8%) patients belonged to the KTC group and 120 (28.2%) to the KTR group. The initial QFT showed positive results in 33 (10.8%) and 25 (20.8%) in the KTC and KTR groups, respectively (p=0.007). The QFT response value in LTBI patients was higher in the KTR group than in the KTC group (1.85 vs. 1.06 IU/ml, p=0.046). Multivariate logistic regression showed that old age, absence of Bacillus Calmette-Guerin scar, and KTR group were independent factors for positive LTBI. For participants with initial negative QFT, positive QFT conversion within 2-year follow-up was higher after kidney transplantation (20%) than in KTCs (5.5%) (p=0.032). Conclusion: This study is the first cohort to follow up LTBI status in patients with kidney transplant and shows its higher prevalence and incidence in those belong to KTR. It indicates that surveillance of LTBI after renal transplantation is important.

Therapeutic Efficacy of a New Procedure for Male Urinary Incontinence Combining a Suburethral Polypropylene Mesh and Cardiovascular Patch

Shu-Yu Wu,Yuan-Hong Jiang,Hann-Chorng Kuo 대한배뇨장애요실금학회 2017 International Neurourology Journal Vol.21 No.1

Purpose: Stress urinary incontinence (SUI) in men is a complication secondary to prostatectomy or resulting from neurological lesions. This study presents our experiences with male suburethral slings over the past decade. Methods: In this study, we considered patients who presented with SUI and were diagnosed with an intrinsic sphincteric deficiency due to postprostatectomy incontinence (PPI) or other causes (non-PPI). Patients who underwent the suburethral sling procedure using a polypropylene mesh and a cardiovascular patch were retrospectively included. An urodynamic study was performed before and after the operation. Global response assessment (GRA) and SUI grading were used for surgical outcome. The revision rate and the infection rate were also evaluated. Results: A total 31 patients were enrolled in this study; the mean patient age was 59.5±18.9 years, and the mean follow-up period was 36.9±29.4 months. Fourteen patients comprised the non-PPI group and 17 were in the PPI group. The preoperative SUI of all patients were categorized as a moderate to severe problem according to the SUI grade, with a mean score of 2.32±0.48 before the operation and 0.48±0.57 after the operation. With a mean score of 2.35±0.71, GRA showed that the patients were satisfied with the treatment. After the sling procedure, 4 patients (13%) reported a mild improvement, 12 (38.7%) a moderate improvement, while 15 (48.4%) reported an excellent improvement. Six patients (19.4%), including 5 from the non-PPI group (35.7%) and 1 (5.9%) from the PPI group (P=0.037), underwent sling removal because of infection. Conclusions: The male suburethral sling procedure using a polypropylene mesh and a cardiovascular patch is a safe, efficacious, and inexpensive surgical procedure for PPI. In cases of neurological incontinence, however, the higher infection rate in non-PPI patients means that they should be carefully managed.

Screening of Nitrosamine Impurities in Sartan Pharmaceuticals by GC-MS/MS

( Shu-Han Chang ),( Hui-Yu Ho ),( Chi-Zong Zang ),( Ya-Hui Hsu ),( Mei-Chih Lin ),( Su-Hsiang Tseng ),( Der-Yuan Wang ) 한국질량분석학회 2021 Mass spectrometry letters Vol.12 No.2

Probable human carcinogenic compounds nitrosamines, have been detected as by-product impurities in sartan pharmaceuticals in recent years which has drawn worries for medication safety. To provide a sensitive and effective method for the quality control of sartan pharmaceuticals, this study established a feasible gas chromatography-tandem mass spectrometry (GC-MS/MS) method for simultaneous determination of 13 nitrosamines. The target analytes were separated on a DB-WAX Ultra Inert column (30 m × 0.25 mm; i.d., 0.25 μm) and were then subjected to electron impact ionization in multiple reaction monitoring mode. The established method was validated and further employed to analyze authentic samples. Limits of detection (LODs) and limits of quantification (LOQs) of the 13 nitrosamines were 15-250 ng/g and 50-250 ng/g, respectively, which also exhibited intra-day and inter-day accuracies of 91.4-104.8%, thereby satisfying validation criteria. Five nitrosamines, viz., Nnitrosodiethylamine, N-nitrosodimethylamine, N-nitrosodiphenylamine, N-nitrosomorpholine, and N-nitrosopiperidine were detected at concentrations above their LODs in 68 positive samples out of 594 authentic samples from seven sartans.

Effect of Light with Different Wavelengths on Nostoc flagelliforme Cells in Liquid Culture

( Yu Jie Dai ),( Jing Li ),( Shu Mei Wei ),( Nan Chen ),( Yu Peng Xiao ),( Zhi Lei Tan ),( Shi Ru Jia ),( Nan Nan Yuan ),( Ning Tan ),( Yi Jie Song ) 한국미생물 · 생명공학회 2013 Journal of microbiology and biotechnology Vol.23 No.4

The effects of lights with different wavelengths on the growth and the yield of extracellular polysaccharides of Nostoc flagelliforme cells were investigated in a liquid cultivation. N. flagelliforme cells were cultured for 16 days in 500 ml conical flasks containing BG11 culture medium under 27 μmol·m-2·s-1 of light intensity and 25oC on a rotary shaker (140 rpm). The chlorophyll a, phycocyanin, allophycocyanin, and phycoerythrin contents in N. flagelliforme cells under the lights of different wavelengths were also measured. It was found that the cell biomass and the yield of polysaccharide changed with different wavelengths of light. The biomass and the yield of extracellular polysaccharides under the red or violet light were higher than those under other light colors. Chlorophyll a, phycocyanin, and allophycocyanin are the main pigments in N. flagelliforme cells. The results showed that N. flagelliforme, like other cyanobacteria, has the ability of adjusting the contents and relative ratio of its pigments with the light quality. As a conclusion, N. flagelliforme cells favor red and violet lights and perform the complementary chromatic adaptation ability to acclimate to the changes of the light quality in the environment.

Aspirin-Triggered Resolvin D1 Inhibits TGF-β1-Induced EndMT through Increasing the Expression of Smad7 and Is Closely Related to Oxidative Stress

Shu, Yusheng,Liu, Yu,Li, Xinxin,Cao, Ling,Yuan, Xiaolong,Li, Wenhui,Cao, Qianqian The Korean Society of Applied Pharmacology 2016 Biomolecules & Therapeutics(구 응용약물학회지) Vol.24 No.2

The endothelial-mesenchymal transition (EndMT) is known to be involved in the transformation of vascular endothelial cells to mesenchymal cells. EndMT has been confirmed that occur in various pathologic conditions. Transforming growth factor ${\beta}1$ (TGF-${\beta}1$) is a potent stimulator of the vascular endothelial to mesenchymal transition (EMT). Aspirin-triggered resolvin D1 (AT-RvD1) has been known to be involved in the resolution of inflammation, but whether it has effects on TGF-${\beta}1$-induced EndMT is not yet clear. Therefore, we investigated the effects of AT-RvD1 on the EndMT of human umbilical vein vascular endothelial cells line (HUVECs). Treatment with TGF-${\beta}1$ reduced the expression of Nrf2 and enhanced the level of F-actin, which is associated with paracellular permeability. The expression of endothelial marker VE-cadherin in HUVEC cells was reduced, and the expression of mesenchymal marker vimentin was enhanced. AT-RvD1 restored the expression of Nrf2 and vimentin and enhanced the expression of VE-cadherin. AT-RvD1 did also affect the migration of HUVEC cells. Inhibitory ${\kappa}B$ kinase 16 (IKK 16), which is known to inhibit the NF-${\kappa}B$ pathway, had an ability to increase the expression of Nrf2 and was associated with the inhibition effect of AT-RvD1 on TGF-${\beta}1$-induced EndMT, but it had no effect on TGF-${\beta}1$-induced EndMT alone. Smad7, which is a key regulator of TGF-${\beta}$/Smads signaling by negative feedback loops, was significantly increased with the treatment of AT-RvD1. These results suggest the possibility that AT-RvD1 suppresses the TGF-${\beta}1$-induced EndMT through increasing the expression of Smad7 and is closely related to oxidative stress.