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Theoretical Study on Electronic, Optical, and Charge Transfer Properties of Starburst Triphenylamine as Sensibilizer @TiO2 Cluster for Dye-sensitized Solar Cells
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作者 LV Xiao-Li YANG Yi +4 位作者 ZHANG Xin-Yue LIANG Da-Dong LIU Jun-Bo TANG Shan-Shan JIN Rui-Fa 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第9期1441-1454,共14页
Here, a series of starburst triphenylamine(WD8) derivatives for dye-sensitized solar cells(DSSCs) applications have been designed. The frontier molecular orbitals(FMOs) property, absorption spectra, and charge transfe... Here, a series of starburst triphenylamine(WD8) derivatives for dye-sensitized solar cells(DSSCs) applications have been designed. The frontier molecular orbitals(FMOs) property, absorption spectra, and charge transfer rate property of WD8 and its derivatives were simulated. We also evaluated the FMOs energies and absorption spectra of WD8 and its derivatives with the TiO2 cluster. The simulation results show that the phenothiazine-triphenylamine and 2-cyanoacetic acid groups in the ortho-position will increase the HOMO energy, decrease the LUMO energy, and narrow the HOMO-LUMO gap of WD8. The charge injection from WD8 and its derivatives to TiO2 should be more favorable. The phenothiazine-triphenylamine and 2-cyanoacetic acid groups in the ortho-position will decrease the electron and hole injection barriers of WD8. The phenothiazinetriphenylamine and 2-cyanoacetic acid groups in the ortho-position will improve the absorption spectra properties of WD8. The absorption spectra of WD8 and its derivatives with the TiO2 cluster would have a red shift. The phenothiazine-triphenylamine and 2-cyanoacetic acid groups in the ortho-position will increase the charge transfer property of WD8. 展开更多
关键词 triphenylamine sensibilizer TIO2 CLUSTER DYE-SENSITIZED solar cells
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Inhibitory effect of toremifene monotherapy or combined with gemcitabine on A549 human lung adenocarcinoma cells
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作者 Jianing Jiang Danfeng Song +1 位作者 Jinbo Zhao Xiuhua Sun 《The Chinese-German Journal of Clinical Oncology》 CAS 2014年第2期51-57,共7页
Objective: The aim of this study was to investigate the effect of toremifene on A549 human lung adenocarci- noma cells, and its sensibilization with gemcitabine, so that to provide a new clinical approach for non-sma... Objective: The aim of this study was to investigate the effect of toremifene on A549 human lung adenocarci- noma cells, and its sensibilization with gemcitabine, so that to provide a new clinical approach for non-small-cell lung cancer (NSCLC). Methods: A549 cells were seeded into 96-well plates and exposed to different agents (gemcitabine or gemcitabine with toremifene). The cytotoxicity of each agent was evaluated by MTT, cell cycle and apoptotic rate were detected by flow cytometry (FCM). Results: 1. By using FCM, we found A549 cells in S and G2/M phases with toremifene decreased but increased in G0/G1 phase. The higher concentration of toremifene, the more decreased was when compared with the control group. 2. FCM showed toremifene's apoptosis effect on A549 cells increased with its increasing dose. 3. By MTT, toremifene had no cytotoxic effect on A549 cells at the concentration of 5 or 2.5 pmol/L. The IC5o of gemcitabine to A549 was 34.51 tJmol/L, and the combined group was 13.59 pmol/L. Conclusion: Toremifene could inhibit the growth of A549 human lung adenocarcinoma cells. Toremifene combined with gemcitabine showed significantly remarkable chemotherapy sensibilization on A549 human lung adenocarcinoma cells. 展开更多
关键词 TOREMIFENE GEMCITABINE chemotherapy sensibilization A549 human lu'ng adenocarcinoma cells
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