Synthesis, Crystal Structure and Density Functional Calculationson 1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline

Pu Su Zhao,Yu Feng Li,Huan Mei Guo,Fang Fang Jian*,Xian Wang 대한화학회 2007 Bulletin of the Korean Chemical Society Vol.28 No.9

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between , , and temperature.

Synthesis, Crystal Structure and Density Functional Calculations on 1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline

Zhao, Pu Su,Li, Yu Feng,Guo, Huan Mei,Jian, Fang Fang,Wang, Xian Korean Chemical Society 2007 Bulletin of the Korean Chemical Society Vol.28 No.9

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

Sparsity Based Denoising of PET-CT Images

Zhi Cui,Xian-Pu Cui 보안공학연구지원센터 2016 International Journal of Multimedia and Ubiquitous Vol.11 No.2

In this paper, we propose an improved method for the removal of additive Gussian white noise from PET-CT images. Different from the traditional sparse representation based denoising methods, our method is composed of two distinctively steps such as the preliminary denoise and the detail compensation. By constructing a sparse representation model, denoising is formulated as an optimization problem that can be solved on an over-complete dictionary. The proposed method effectively trains this dictionary by using K-SVD algorithm with atom replace model. Then the preliminary denoised image is reconstructed through improved OMP algorithm with the fidelity factor of SSIM (Structural Similarity). The detail compensation image is obtained by using the difference between the noisy image and the preliminary de-noised image, and the improved OMP algorithm is employed again to get the denoised detail compensation image. Finally, the final denoised image is reconstructed by adding the denoised detail compensation image to the preliminary denoised image. Experiment results have shown that the proposed method is better than some other denoising methods in terms of PSNR and SSIM.

Selection of Optimal Decomposition Layer for Thresholding Denoising Using Singular Spectrum Analysis and Wavelet Entropy

Zhi Cui,Xian-pu Cui 보안공학연구지원센터 2016 International Journal of Multimedia and Ubiquitous Vol.11 No.4

To optimize the number of decomposition layers in wavelet threshold denoising for ultrasonic signals, we propose a self-adaptive algorithm of determining the number of decomposition layers based on singular spectrum analysis and wavelet entropy. First the noise-containing signals are decomposed by discrete wavelet transform. The slope of the singular value spectrum for each layer is estimated. Then the wavelet entropy over the signal subinterval is calculated for each layer. Finally the optimal number of decomposition layer is determined by combining the entropy ratio of detail coefficients to original signal and the slope of the singular value spectrum. The performance of the algorithm is evaluated using signal-to-noise ratio (SNR) and the relative error of the peak value (REPV). Experiment shows that the algorithm can self-adaptively determine the optimal number of decomposition layers and filter out the noise contained in the ultrasonic signals. It not only increases the SNR, but also preserves valuable components of the original signal.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

Guo, Huan-Mei,Wang, Xian,Jian, Fang Fang,Xiao, Hai Lian,Zhao, Pu Su Korean Chemical Society 2009 Bulletin of the Korean Chemical Society Vol.30 No.5

Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Clinical Application of the Adenosine Triphosphate-based Response Assay in Intravesical Chemotherapy for Superficial Bladder Cancer

Ge, Wen-Qing,Pu, Jin-Xian,Zheng, Shi-Ying Asian Pacific Journal of Cancer Prevention 2012 Asian Pacific journal of cancer prevention Vol.13 No.2

Objective: To investigate correlations between adenosine triphosphate chemotherapy response assay (ATP-CRA) and clinical outcomes after ATP-CRA-based chemotherapy for drug selection in patients receiving intravesical chemotherapy to prevent recurrence of superficial bladder cancer after surgery. Methods: The chemosensitivities of 12 anticancer drugs were evaluated, including 5-Fu ADM, and EPI, using ATP-CRA and primary tumor cell culture in 54 patients. In addition, a further 58 patients were treated according to clinical experience. Differences in post-chemotherapeutical effects between drug sensitivity assay and experience groups were compared. Results: The evaluable rate of the test was 96.3%, the clinical effective rate was 80.8%, the sensitivity rate was 97.6% (41/42), the specificity was 20%, the total predicting accuracy was 74.3%, the positive predictive value was 83.7% (41/49), the negative predictive value was 66.7% (2/3); in the drug sensitivity test group, the clinical effective rate was 80.8%, the experience group response rate was 63.8%, with a significant difference in clinical effects between the ATP-based sensitivity and experience groups (${\chi}^2$=7.0153, P<0.01). Conclusion: ATP-CRA is a stable, accurate and potentially practical chemosensitivity test providing a predictor of chemotherapeutic response in patients with superficial bladder cancer.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

Huan Mei Guo,Xian Wang,Fang Fang Jian,Hai Lian Xiao,Pu Su Zhao 대한화학회 2009 Bulletin of the Korean Chemical Society Vol.30 No.5

Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Variants on ESR1 and their Association with Prostate Cancer Risk: A Meta-analysis

Ding, Xiang,Cui, Feng-Mei,Xu, Song-Tao,Pu, Jin-Xian,Huang, Yu-Hua,Zhang, Jiang-Lei,Wei, Xue-Dong,Hou, Jian-Quan,Yan, Chun-Yin Asian Pacific Journal of Cancer Prevention 2012 Asian Pacific journal of cancer prevention Vol.13 No.8

Background: Epidemiological studies evaluating the association of two variants rs9340799 and rs2234693 on estrogen receptor 1 (ESR1) with prostate risk have generated inconsistent results. Methods: A meta-analysis was here conducted to systematically evaluate the relationship of these two variants with prostate cancer susceptibility. Results: For rs9340799, heterozygosity of T/C carriers showed a significant increased prostate cancer risk with a pooled odds ratio (OR) of 1.34 (95% CI = 1.06-1.69) while homozygote C/C carriers showed an increased but not statistically significant association with prostate cancer risk (pooled OR = 1.29, 95% CI = 0.94-1.79). Compared to the homozygous TT carriers, the allele C carriers showed a 31% increased risk for prostate cancer (pooled OR = 1.31, 95% CI = 1.06-1.63). No significant association between the rs2234693 and prostate cancer risk was found with the pooled OR of 1.15 (95% CI = 0.97-1.39, T/C and C/C vs. T/T) under the dominant genetic model. Compared to the homozygote T/T carriers, the heterozygous T/C carriers did not show any significantly different risk of prostate cancer (pooled OR = 1.13, 95% CI = 0.94-1.36) and the homozygous C/C carriers also did not show a significant change for prostate cancer risk compared to the wide-type T/T carriers (pooled OR = 1.26, 95% CI = 0.98-1.62). Conclusion: These data suggested that variant rs9340799, but not rs2234693, on ESR1 confers an elevated risk of prostate cancer.

MiR-421 Regulates Apoptosis of BGC-823 Gastric Cancer Cells by Targeting Caspase-3

Wu, Jian-Hong,Yao, Yong-Liang,Gu, Tao,Wang, Ze-You,Pu, Xiong-Yong,Sun, Wang-Wei,Zhang, Xian,Jiang, Yi-Biao,Wang, Jian-Jun Asian Pacific Journal of Cancer Prevention 2014 Asian Pacific journal of cancer prevention Vol.15 No.13

MicroRNAs might act as oncogenes or tumor suppressors in cancer. Recent studies have shown that miR-421 is up-regulated in human gastric cancer. Here, we found that miR-421 was over-expressed in gastric cancer tissues and cell lines. Bioinformatics analysis predicted that the caspase-3 gene was a target of miR-421. Caspase-3 was negatively regulated by miR-421 at the post-transcriptional level. Bax and Bcl-2 were also regulated by miR-421. Moreover, tumor necrosis factor receptor-I and -II, death receptors in the apoptosis pathway, were up-regulated by miR-421. The over-expression of miR-421 promoted gastric cancer cell growth and inhibited apoptosis of the BGC-823 gastric cancer cell line. These observations indicate that miR-421 acts as a tumor promoter by targeting the caspase-3 gene and preventing apoptosis of gastric cancer cells through inhibition of caspase-3 expression. These findings contribute to our understanding of the functions of miR-421 in gastric cancer.