• Title/Summary/Keyword: TD3

Search Result 374, Processing Time 0.034 seconds

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
    • Bulletin of the Korean Chemical Society
    • /
    • v.28 no.9
    • /
    • pp.1539-1544
    • /
    • 2007
  • 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.

Stimulatory Effect of Saponin from Panax ginseng on Function of Lymnphocytes in the Elderly

  • Liu, Jun-Da;Wang, Shu;Liu, Hong-Tao
    • Proceedings of the Ginseng society Conference
    • /
    • 1998.06a
    • /
    • pp.312-321
    • /
    • 1998
  • We used the saponin Rgi extracted from Panax ginseng to study its effects on lymphocytes of 10 young and 19 elderly persons. The proliferate response of Iymphocytes cocultured for 72h with PHA and saponin was measured by using MTT method and the'H-TdR incorporation procedure. PHA and Rgl had stimulative effects on the phenotype of Iymphocytes (p<0.001). Rgl also increased the fluidity of lymphocyte membrane of the aged (p<0.001). The CD2s and CDfsRA positive cells of Iymphocytes in the elderly were lower than those of the young people,8.6clo $\pm$ 2.7olo vs 10.43% : 3.5%, 20.95% $\pm$ 15.5clQ vs 50.86% :4.3olo, respectively. More CDfsRO positive cell lymphocy populations were seen in the aged. The CEfsRO positive cells of the young people were 39.63% $\pm$ 3.2%. We discussed the cause of declined immune function of Lymphocytes of aged person and the mechanism of the effect of P. ginseng on Lymphocytes. Key words: Saponin, Lymphocytes, Aged person, Stimulatory effect, and Panax ginseng

  • PDF

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
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.5
    • /
    • pp.1061-1066
    • /
    • 2009
  • 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.

Phellodendri Cortex Herbal-acupuncture Solution Induced Apoptosis in Human Cervical Cancer Cells, SNU-17

  • Seo, Yong-Seok;Seo, Jung-Chul;Lim, Seong-Chul;Jung, Tae-Young;Han, Sang-Won
    • Journal of Acupuncture Research
    • /
    • v.22 no.2
    • /
    • pp.103-110
    • /
    • 2005
  • Phellodendri Cortex (PC) has been used traditionally in Korea for damp heat leukorrhea with thick, yellow, discharge, foul-smelling diarrhea or dysentery. We investigated whether the Phellodendri Cortex Herbal-acupuncture Solution (PCHS) induced cell-death on SNU-17, human cervical cancer cell. 3-(4,5-Dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide (MTT) assay was performed to find out the cytotoxicity of PCHS. The cell death was identified as apoptosis from the results of 4, 6-diamidineo-2-phenylindole (DAPI) staining, terminal deoxy-nucleotidyl transferase (TdT)-mediated dUTP nick end labeling (TUNEL) assay. The expression of proapototic gene, Bax, was increased and the expression of apoptotic gene, Caspase-3, was also increased. Considering the above results, PCHS could induce the apoptosis on SNU-17, human cervical cancer cell, via Bax-related Caspase-3 activation. And it might provide the experimental data for the clinical use of Phellodendri Cortex on cervical cancer.

  • PDF

An Experimental Study of Korean Dialectal Speech (한국어 방언 음성의 실험적 연구)

  • Kim, Hyun-Gi;Choi, Young-Sook;Kim, Deok-Su
    • Speech Sciences
    • /
    • v.13 no.3
    • /
    • pp.49-65
    • /
    • 2006
  • Recently, several theories on the digital speech signal processing expanded the communication boundary between human beings and machines drastically. The aim of this study is to collect dialectal speech in Korea on a large scale and to establish a digital speech data base in order to provide the data base for further research on the Korean dialectal and the creation of value-added network. 528 informants across the country participated in this study. Acoustic characteristics of vowels and consonants are analyzed by Power spectrum and Spectrogram of CSL. Test words were made on the picture cards and letter cards which contained each vowel and each consonant in the initial position of words. Plot formants were depicted on a vowel chart and transitions of diphthongs were compared according to dialectal speech. Spectral times, VOT, VD, and TD were measured on a Spectrogram for stop consonants, and fricative frequency, intensity, and lateral formants (LF1, LF2, LF3) for fricative consonants. Nasal formants (NF1, NF2, NF3) were analyzed for different nasalities of nasal consonants. The acoustic characteristics of dialectal speech showed that young generation speakers did not show distinction between close-mid /e/ and open-mid$/\epsilon/$. The diphthongs /we/ and /wj/ showed simple vowels or diphthongs depending to dialect speech. The sibilant sound /s/ showed the aspiration preceded to fricative noise. Lateral /l/ realized variant /r/ in Kyungsang dialectal speech. The duration of nasal consonants in Chungchong dialectal speech were the longest among the dialects.

  • PDF

Studies on the Correlation between SPF Index and Skin Irritation Index of Sunscreens (자외선 차단제의 SPF 지수와 피부자극지수와의 상관성 연구)

  • 김종원;서수경;최주영;박창원;서경원;김규봉;김광진;김재희;이선희
    • Biomolecules & Therapeutics
    • /
    • v.10 no.4
    • /
    • pp.246-252
    • /
    • 2002
  • In recent years, the safety of sunscreens has been challenged based on the reports of their adverse effect on users; dermatitis, allergic contact dermatitis and photo allergic contact dermatitis. The unscientific idea that higher SPF sunsreen is good for health mealeads many users to tend to prefer higher SPF sunscreen. In the toxicological aspect, the need to investigate the safety of sunscreens is steadily increasing. However, there were few studies on the correlation between sun protection factor (SPF) and the safety of sunscreens. The objective of this study was to assess whether there was a correlation between SPF and the safety of sunscreens. We measured in vitro SPF index using homosalate as a standard and examined the toxicity tests such as primary skin irritation tests, ocular irritation test and skin sensitization test. Homosalate (HS), octyl methoxycinnamate (OMC), octyl salicylate (OS), octocrylene (OC) as UVB organic filter and benzophenone-3 (BP3), butyl methoxy dibenzoil methane (BMDM) as UVA organic filter, and titanium dioxide (TD), zinc oxide (ZO) as inorganic filters were used. The skin irritation indexes in rabbits treated with HS, OMC, OS, BP3, and BMDM were significantly increased as SPF indices were increased. Neither ocular irritation in rabbits nor skin sensitization in guinea pigs were increased. It suggests that there might be a good correlation between SPF and the skin irritation indices of organic UV filters and skin irritation might be one of most sensitive index to assess the safety of sunscreens.

Enhanced thermal-mechanical properties of rolled tungsten bulk material reinforced by in situ nanosized Y-Zr-O particles

  • Gang Yao;Hong-Yu Chen;Lai-Ma Luo;Xiang Zan;Yu-Cheng Wu
    • Nuclear Engineering and Technology
    • /
    • v.56 no.6
    • /
    • pp.2141-2152
    • /
    • 2024
  • Tungsten is the most promising plasma facing material for fusion reactors. Rolled W-Y2(Zr)O3 bulk material has been successfully produced in this study for future fusion engineering applications. The introduction of Zr is conducive to the refinement of the second phase particles. Nano-sized Y-Zr-O particles are observed in the powder and bulk samples. Related results show that the Y-Zr-O particle dispersion distribution improves the heat load resistance of W-Y2(Zr)O3 composite material. For four-point bend experiments in the same sampling direction, the DBTT of W-Y2(Zr)O3 composite materials is lower compared to the pure tungsten. For the same material, the DBTT of the material was selected for testing along the RD direction is lower compared to the material was selected for testing along the TD direction. Findings of this study provide suggestions for the subsequent industrial preparation of nanoscale particle-doped tungsten materials.

Development of RMRD and Moving Phantom for Radiotherapy in Moving Tumors

  • Lee, S.;Seong, Jin-Sil;Chu, Sung-Sil;Yoon, Won-Sup;Yang, Dae-Sik;Choi, Myung-Sun;Kim, Chul-Yong
    • Proceedings of the Korean Society of Medical Physics Conference
    • /
    • 2003.09a
    • /
    • pp.63-63
    • /
    • 2003
  • Purpose: Planning target volume (PTV) for tumors in abdomen or thorax includes enough margin for breathing-related movement of tumor volumes during treatment. We developed a simple and handy method, which can reduce PTV margins in patients with moving tumors, respiratory motion reduction device system (RMRDs). Materials and Methods: The patients clinical database was structured for moving tumor patients and patient setup error measurement and immobilization device effects were investigated. The system is composed of the respiratory motion reduction device utilized in prone position and abdominal presser (strip device) utilized in the supine position, moving phantom and the analysis program, which enables the analysis on patients setup reproducibility. It was tested for analyzing the diaphragm movement and CT volume differences from patients with RMRDs, the magnitude of PTV margin was determined and dose volume histogram (DVH) was computed using a treatment planning software. Dose to normal tissue between patients with RMRDs and without RMRDs was analyzed by comparing the fraction of the normal liver receiving to 50% of the isocenter dose(TD50). Results: In case of utilizing RMRDs, which was personally developed in our hospital, the value was reduced to $5pm1.4 mm$, and in case of which the belt immobilization device was utilized, the value was reduced to 3$pm$0.9 mm. Also in case of which the strip device was utilized, the value was proven to reduce to $4pm.3 mm$0. As a result of analyzing the TD50 is irradiated in DVH according to the radiation treatment planning, the usage of the respiratory motion reduction device can create the reduce of 30% to the maximum. Also by obtaining the digital image, the function of comparison between the standard image, automated external contour subtraction, and etc were utilized to develop patients setup reproducibility analysis program that can evaluate the change in the patients setup. Conclusion: Internal organ motion due to breathing can be reduced using RMRDs, which is simple and easy to use in clinical setting. It can reduce the organ motion-related PTV margin, thereby decrease volume of the irradiated normal tissue.

  • PDF

Protective Effect of Edible Mushrooms (Pleurotus ostreatus, Flammulina velutipes, Lentinula edodes) according to Different Cooking Methods on DNA Damage of Jurkat Cell Line (식용 버섯의 조리방법에 따른 Jurkat 세포주 DNA 손상 보호 효과)

  • Cho, Yun-Jeong;Kim, Kyoung-Hee;Yook, Hong-Sun
    • The Korean Journal of Food And Nutrition
    • /
    • v.28 no.1
    • /
    • pp.34-39
    • /
    • 2015
  • In this study, portective effect on DNA damage several mushrooms (Pleurotus ostreatus, Flammulina velutipes, Lentinula edodes) according to cooking methods was investigated using Comet assay. Three edible mushrooms were cooked by grilling, blanching, pan-frying, or by preparing 'Jeon' (traditional Korean pancake). Cells were incubated in medium with 4 kinds of samples for 48 h ($37^{\circ}C$) were further treated with hydrogen peroxide ($H_2O_2$) for 5 min as an oxidative stimulus. Oxidative damage was evaluated by single-cell gel electrophoresis (Comet assay) and quantified by tail DNA% (TD), tail length (TL), tail moment (TM). Though oxidative DNA damages expressed as TD, TL, TM of 4 cooked samples were higher than raw sample, which means lower protective activities, all samples including raw sample had significantly higher protective effects than the positive control (p<0.05). The protective effect on DNA damage of cooked samples decreased much more when soybean oil added, likely due to the thermal oxidation of oil during cooking. Although heat treatment could degrade protective effect on DNA damage of mushrooms, the cooked mushroom had significant effect on oxidative stress. In conclusion, grilling and blanching were the most advantageous cooking methods to protect oxidative DNA damage induced by $H_2O_2$.

A Study on the Sediment Deposition Height Computation at Gunsan Port Using EFDC (EFDC를 이용한 군산항의 유사 퇴적고 계산에 관한 연구)

  • Lee, Dong Joo;Park, Young Ki
    • Journal of Korea Water Resources Association
    • /
    • v.46 no.5
    • /
    • pp.531-545
    • /
    • 2013
  • This paper was considered on the applicability of EFDC KUNSAN_SEDTRAN MODEL (2012) to calculate Gunsan Port sediment deposition height efficiently and to use for grasping its aspects quantitatively and providing its prevention measures reasonably based on well-known 3-dimensional EFDC sediment transport module. This model was calibrated and verified with various measured field data of A Report of Hydrological Variation on Kum River Estuary (2004). Due to the model calibration and relevant literature investigation for cohesive sediment parameters, settling velocity (WS), critical deposition stress (TD), reference surface erosion rate (RSE), critical erosion stress (TE) were identified as 2.2E-04m/s, 0.20 $N/m^2$, 0.003 $g/s{\cdot}m^2$, 0.40 $N/m^2$ respectivly on this model. In order to examine the applicability and precision of the model computation, the calculated model data of sediment deposition height at 13 stations for 71 days and suspended-sediment concentration at 2 stations, inner port and outer port for 15 days were compared and analyzed with the measured field data. As a result, the model applicability for sediment deposition height simulation was evaluated as NSE coefficient 0.86 and the precision for suspended-sediment concentration computation was evaluated as time averaged relative error (RE) 23%.