Density Functional Theory Study on Triphenylamine-based Dye Sensitizers Containing Different Donor Moieties

Xu, Jie,Wang, Lei,Liang, Guijie,Bai, Zikui,Wang, Luoxin,Xu, Weilin,Shen, Xiaolin Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.9

Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed to investigate the molecular structures and absorption spectra of two dyes containing diphenylaniline and 4-diphenylamino-diphenylaniline as donor moiety (TPA1 and TPA3). The geometries indicate that the strong conjugation is formed in the dyes. The electronic structures suggest that the intramolecular charge transfer from the donor to the acceptor occurs, and the electron-donating capability of 4-diphenylamino-diphenylaniline is stronger than that of diphenylaniline. The computed highest occupied molecular orbital (HOMO) energy levels are -5.31 and -4.90 eV, while the lowest unoccupied molecular orbital (LUMO) energies are -2.29 and -2.26 eV for TPA1 and TPA3, respectively, revealing that the interfacial charge transfer between the dyes and the semiconductor electrode are electron injection processes from the photon-excited dyes to the semiconductor conduction band. Furthermore, all the experimental absorption bands of TPA1 and TPA3 have been assigned according to the TDDFT calculations.

DGE analysis of changes in gene expression in response to temperature and deltamethrin stress in the silkworm (Bombyx mori)

Xu-Dong TANG,Nan LIU,Wei Wang,Jieyun Yan,Li Xu,Zhongyuan Shen 한국응용곤충학회 2016 Journal of Asia-Pacific Entomology Vol.19 No.1

The silkworm (Bombyx mori) is an important insect for various industrial applications and is also a model insect for the order Lepidoptera. The silkworm is more resistant to deltamethrin at high temperatures than at low temperatures. To elucidate the role of the negative temperature coefficient of deltamethrin in the silkworm, digital gene expression (DGE) analysis was performed for the identification of differentially expressed genes in silkworms challenged with deltamethrin at different temperatures. Compared with deltamethrin exposure at 30 °C, silkworms treated at 20 °C exhibited more severe stress responses, and gene sets associated with peptidoglycan recognition protein (PGRP),mucin, and antimicrobial peptides (AMPs)were downregulated dramatically. Similarly, a decrease in genes related to reactive oxygen species scavenging was also detected, which may have resulted in an imbalance between radical-generating and radical-scavenging systems. These results indicated that the lower mortality rate after deltamethrin treatment at high temperature was caused by a series of gene alterations (quantitative increases) rather than qualitative changes.

THE RELATIONSHIP BETWEEN THE ASSETS LIQUIDITY AND THE TRADING LIQUIDITY: AN EMPIRICAL INVESTIGATION

Xu Shen Zhou,Yong H Kim People&Global Business Association 2007 Global Business and Finance Review Vol.12 No.1

In this paper. we examine the relationship between the liquidity of a firm's assets and trading liquidity of its stocks. The results show that the higher the firm's assets liquidity, the lower its stock's trading liquidity. This relationship does not hold for banks. Bank stocks have lower trading liquidity than other firms' stocks do. The results are consistent with market microstructure theory and support the paradox of assets liquidity suggested by recent theory. The results may suggest that firms with severe assets substitution and entrenching investment problems may have a different trading behavior of their stocks than those of others.

Synthesis and characterization of monodisperse yttrium aluminum garnet (YAG) micro-crystals with rhombic dodecahedron

Xu, Tao,Yuan, Rui,Xu, Peng-Cheng,Pan, Dong-Jie,Yang, Woochul,Guo, Hai-Bo,Shen, Yu-Fang,Hu, Jian-Feng,Zhang, Zhi-Jun,Zhao, Jing-Tai Elsevier 2018 Journal of alloys and compounds Vol.762 No.-

<P><B>Abstract</B></P> <P>Uniform, monodisperse yttrium aluminum garnet (YAG) rhombic dodecahedron micro-crystals were synthesized using coprecipitation and hydrothermal methods. The Na<SUB>2</SUB>SO<SUB>4</SUB> as a surfactant was helpful in improving the dispersity of the crystallites and forming well-faceted, micro-sized dodecahedral YAG crystallites. The effect of the reaction time and the solvent has also been studied. The crystal growth mechanism called dissolution/crystallization was determined by analyzing the experimental and simulated results. And the specific well-developed crystal facets in the {110} family have been demonstrated by the theoretical calculation. A higher integrated emission intensity can be achieved for the YAG:Ce crystallites by improving the phase purity, morphology with better developed dodecahedrons, and dispersion. Furthermore, a rather high luminous efficacy (LE = 104.14 lm/W) for the white LED fabricated using the YAG:Ce<SUP>3+</SUP> phosphor prepared in this work was realized. The correlation between the crystal growth, morphology and luminescence properties of YAG crystallites has been established, which exhibits a great importance for the synthesis and application of mono-dispersed YAG crystallites.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Uniform and monodisperse YAG rhombic dodecahedron micro-crystals were synthesized. </LI> <LI> The growth mechanism of YAG rhombic dodecahedron was studied through experimental and computational simulation. </LI> <LI> The correlation between the crystal growth, morphology and luminescence of YAG crystallites was established. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

Distinctions Between Clinicopathological Factors and Prognosis of Alpha-fetoprotein Negative and Positive Hepatocelluar Carcinoma Patients

Xu, Jia,Liu, Chang,Zhou, Lei,Tian, Feng,Tai, Ming-Hui,Wei, Ji-Chao,Qu, Kai,Meng, Fan-Di,Zhang, Ling-Qiang,Wang, Zhi-Xin,Zhang, Jing-Yao,Chang, Hu-Lin,Liu, Si-Nan,Xu, Xin-Shen,Song, Yan-Zhou,Liu, Jun,Z Asian Pacific Journal of Cancer Prevention 2012 Asian Pacific journal of cancer prevention Vol.13 No.2

Serum alpha-fetoprotein (AFP) is a significant marker for clinical diagnosis and prognosis evaluation in hepatocellular carcinoma (HCC) patients. However, some proportion of liver cancer patients are AFP-negative (AFP ${\leq}$20ng/ml). In order to study the differences between clinicopathological factors and prognosis of alpha-fetoprotein negative and positive patients, a total of 114 cases (41 AFP-negative and 73 AFP-positive) were selected for our research. By systematically statistical analysis, the results demonstrated that compared with AFP-negative patients, AFP-positive examples were more likely to feature cirrhosis nodules, non-complete neoplasm capsules, and a poor Edmondson-steiner grade. Furthermore, AFP-negative patients demonstrated a favorable long-term prognosis. By univariate analysis and multivariate analysis with Cox's proportional hazards model, multiple tumors were found to be independent risk factors for worse survival of AFP negative patients; however, less tumor-free margins, multiple tumors and Edmondson-steiner grades III/IV, proved to be independent risk factors leading to a poor prognosis of AFP positive cases. Finally, we can infer that high levels of AFP signify a highly malignant tumor and unfavorable prognosis.

A New Furostanol Saponin from Asparagus cochinchinensis

Yang Shen,Hai-Sheng Chen,Cong-Li Xu,Wei-Dong Xuan,Hui-Liang Li,Run-Hui Liu,Xi-Ke Xu 대한약학회 2011 Archives of Pharmacal Research Vol.34 No.10

A new furostanol saponin, (25S)-26-O-β-D-glucopyranosyl-5β-furost-20(22)-en-3β, 15β,26-triol-3-O-[α-L-rhamnopyranosyl-(1-4)]-β-D-glucopyranoside, namely, aspacochioside D (1) were isolated from Asparagus cochinchinensis (Lour.) Merr, along with three known saponins, aspacochioside C (2), (25S)-5β-spirostan-3β-yl-O-[O-α-L-rhamnopyranosyl-(1-4)]-β-D-glucopyranoside (3), and pseudoprotoneodioscin (4). The structure of 1 was elucidated on the basis of chemical reactions and spectral analysis (IR, GC, ESI-MS, ^1H-NMR, ^13C-NMR, DEPT, HMBC, HMQC and NOESY). The antiproliferative effects of 1-4 were evaluated in a cytotoxicity assay against the human tumor cell line, A549. Compound 2 (Aspacochioside C) exhibited moderate cytotoxicity against A-549, with an IC_50 value of 3.87 μg/mL.

Density Functional Theory Study on Triphenylamine-based Dye Sensitizers Containing Different Donor Moieties

Jie Xu,Lei Wang,Guijie Liang,Zikui Bai,Luoxin Wang,Weilin Xu,Xiaolin Shen 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.9

Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed to investigate the molecular structures and absorption spectra of two dyes containing diphenylaniline and 4-diphenylamino-diphenylaniline as donor moiety (TPA1 and TPA3). The geometries indicate that the strong conjugation is formed in the dyes. The electronic structures suggest that the intramolecular charge transfer from the donor to the acceptor occurs, and the electron-donating capability of 4-diphenylamino-diphenylaniline is stronger than that of diphenylaniline. The computed highest occupied molecular orbital (HOMO) energy levels are ‒5.31 and ‒4.90 eV, while the lowest unoccupied molecular orbital (LUMO) energies are ‒2.29 and ‒2.26 eV for TPA1 and TPA3, respectively, revealing that the interfacial charge transfer between the dyes and the semiconductor electrode are electron injection processes from the photonexcited dyes to the semiconductor conduction band. Furthermore, all the experimental absorption bands of TPA1 and TPA3 have been assigned according to the TDDFT calculations.

Covalent Immobilization of Arginine onto Polyacrylonitrile-Based Membrane for the Effective Separation of Oil/Water Emulsion

Xiang Shen,Peng Liu,Jiao Xu,Teng Liu,Jianjun Liu,Xianfu Shen,Shubiao Xia,Fan Wang 한국고분자학회 2018 Macromolecular Research Vol.26 No.13

Membrane technology has been accepted as a very effective approach to purify oily wastewater. However, the serious membrane fouling induced by the adsorption of oily foulants significantly hinders the development of membrane technology in treating oily wastewater. To improve the anti-fouling property and oil/ water separation efficiency of membrane, this work reports on the covalent immobilization of short-chain arginine (Arg) molecules onto polyacrylonitrile/polyacrylonitrile- co-poly(glycidyl methacrylate) (PAN/PAN-co-PGMA) blend membrane surface via a ring-opening reaction between epoxy groups and amine groups. It was found that the covalent immobilization of Arg molecules effectively increased the surface hydrophilicity of the membrane, resulting in a significant decrease of the interaction force between the foulants and the membrane surface. This typical characteristic was revealed by the pure water contact angle and the force-extension curve measurements. The Arg-immobilized membranes exhibited much higher separation efficiency against oil/water emulsions than the pristine PAN and PAN/PAN-co-PGMA membranes. Especially when the grafting amount of Arg was 157.3 μg/cm2, the oil rejection ratio of an Arg-immobilized membrane was as high as 99.2%. In addition, the flux recovery ratio of the membrane still reached 88.8%, even after two cycle filtrations of pure water and oil/water emulsion. These results indicated that the Arg-immobilized membrane may have practical applications for oil/water emulsion separation.

법학교육 양성목표 및 실현방법에 관한 연구

허신건 ( Shen Jian Xu ) 중앙대학교 법학연구원 문화.미디어.엔터테인먼트법연구소 2011 문화.미디어.엔터테인먼트 법 Vol.5 No.2

현재 중국의 법학교육이 직면한 제일 주요한 문제는 이론과 실무 사이에 괴리가 있다는 것이다. 본 문장은 법학교육 양정목표를 어떻게 명확하게 확립할 것인가에 대하여 논의하고, 이를 기초로 하여 실무형 법학교육을 발전시킴으로써 향후 리걸클리닉교육 (Clinical Legal Education) 전문가들이 중국의 법학교육을 발전시키는데 관한 공동한 사명감을 제시하고자 한다. The Legal Education of China is currently under serious criticism for its huge gap between theory and practice. This article issuing a call to vary the goal of Legal Education, upgrade the Experiential Teaching. The author has varying perspectives for the future of Clinicians` shared mission of improving Legal Education

Identification of genomic-wide genetic links between cutaneous melanoma and obesity-related physical traits via cFDR

Lin Shen,Shen Runnan,Huang Jingqian,Liu Yanhan,Li Hongpeng,Xu Qingfang 한국유전학회 2023 Genes & Genomics Vol.45 No.12

Background Both epidemiological and clinical studies have suggested the comorbidity between cutaneous melanoma (CM) and obesity-related physical traits. However, it remains unclear about their shared genetic architecture. Objective To determine the shared genetic architecture between CM and obesity-related physical traits through conditional false discovery rate (cFDR) analysis. Method Quantile–quantile plots were firstly built to assess the pleiotropic enrichment of shared single nucleotide polymorphisms between CM and each trait. Then, cFDR and conjunctional cFDR (ccFDR) were used to identify the shared risk loci between CM and each trait. Moreover, the functional evaluation of shared risk genes was carried out through analyses of expression quantitative trait loci (eQTL), Kyoto Encyclopedia of Genes and Genomes and gene ontology, respectively. Finally, single-cell sequence analysis was performed to locate the expression of eQTL-mapped genes in tissues. Results Successive pleiotropic enrichment was found between CM and 5 obesity-related traits or height. 24 shared risk loci were identified between CM and 13 traits except appendicular lean mass using ccFDR analysis, with 17 novel and 4 validated loci. The functions of ccFDR-identified and eQTL-mapped genes were revealed to be mainly involved in cellular senescence, proliferation, meiotic nuclear division, cell cycle, and the metabolism of lipid, cholesterol and glucose. Single-cell sequence analysis showed that keratinocytes contribute to the occurrence and aggressiveness of CM through secreting paracrine cytokines. Conclusion Our findings demonstrate the significant genetic correlation between CM and obesity-related physical traits, which may provide a novel genetical basis for the pathogenesis and treatment of CM.