• Title/Summary/Keyword: Th compounds

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Computational study of protactinium incorporation effects in Th and Th compounds

  • Daroca, D. Perez;Llois, A.M.;Mosca, H.O.
    • Nuclear Engineering and Technology
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    • v.52 no.10
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    • pp.2285-2289
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    • 2020
  • Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa.

Secondary Metabolite Profiling in Various Parts of Tomato Plants

  • Kim, Dong Sub;Na, Haeyoung;Kwack, Yurina;Chun, Changhoo
    • Horticultural Science & Technology
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    • v.32 no.2
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    • pp.252-260
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    • 2014
  • Contents of carotenoids, phenolic compounds, volatile organic compounds, and alkaloids in leaves, internodes, fruits, and roots of tomatoes in different developmental stages were measured. Lycopene, ${\beta}$-carotene, and lutein were detected in all the tested parts except roots and green fruits. Lycopene content in red fruits was $49.04{\mu}g{\cdot}g^{-1}$ FW, while that in the other parts was below $40{\mu}g{\cdot}g^{-1}$ FW. ${\beta}$-Carotene and lutein contents in 24th leaves were 5.81 and $6.40{\mu}g{\cdot}g^{-1}$ FW, respectively, and were greater than those in the other parts. Caffeic, chlorogenic, and vanillic acids were detected in all the tested parts except roots. The content of chlorogenic acid in the 18th leaves was $40.11{\mu}g{\cdot}g^{-1}$ FW, while that in the other parts was lower than $31.00{\mu}g{\cdot}g^{-1}$ FW. The contents of caffeic and vanillic acids in the 24th leaves were 9.18 and $1.64{\mu}g{\cdot}g^{-1}$ FW, respectively, and were greater than those in the other parts. Moreover, younger leaves contained the more diverse volatile organic compounds including monoterpenes and sesquiterpenes. Contents of dehydro-tomatine and ${\alpha}$-tomatine were greatest in leaves, followed by internodes, roots and fruits. Younger leaves and internodes contained more dehydro-tomatine and ${\alpha}$-tomatine than older leaves and internodes. The contents of dehydro-tomatine and ${\alpha}$-tomatine in the 24th leaves were 0.89 and $1.42mg{\cdot}g^{-1}$ FW, respectively, and were greatest among all the tested parts. Our results indicated that, except lycopene, tomato leaves included greater secondary metabolites contents than red fruits. The results suggest that inedible parts of tomato plants can be used as raw material for antioxidants, anti-inflammatory agents, fungistats, and pesticides.

Variation in Functional Component Levels in Bitter Gourd (Momordica charantia L.) among Different Harvest Seasons (여주의 수확시기별 기능성성분 함량 변화)

  • Park, Young-hie;Lee, Nagyeom;Ryu, Su-Noh
    • KOREAN JOURNAL OF CROP SCIENCE
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    • v.63 no.1
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    • pp.72-75
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    • 2018
  • This study was conducted to investigate changes in the functional compounds in bitter gourd (Momordica charantia L.). Four treatments were used to analyze vitamin C, momordicin, K, Mg, and Ca compounds in Dragon bitter gourd on the 7th, 14th, 21st, and 28th days after pollination. According to the number of days after pollination, level of chemicals containing vitamin C in bitter gourd appeared to decrease continually after pollination, and was the highest, being 74.7 mg/100 g on the 7th day. The level of momordicin, an anti-diabetic was significantly higher in the 7th-day product than that of the 14th day;, meanwhile, there was no significant difference in Ca compounds. These phenomena are considered to fasten the stages of harvest for effective use of functional ingredients in bitter gourd fruits.

Roles of Medicinal Compounds in T Helper Cell-mediated Immunotherapy

  • Kim, Tae-Sung
    • Proceedings of the PSK Conference
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    • 2003.10a
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    • pp.62-63
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    • 2003
  • The commitment of T helper (Th) cells to Thl or Th2 cells is of crucial importance with respective to susceptibility or resistance to particular infections, or to autoimmune diseases and allergic diseases. The nature of Thl or Th2 polarizing signals is not yet fully understood. However, the cytokines that are present in the environment of the $CD4^{+}$ T cell at the time it encounters the antigen significantly regulate the differentiation of Th cells into either Thl or Th2 subsets. (omitted)

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Changes in Chlorphyll Contents and Volatile Compounds of Angelica keiskei Kimchi during Fermentation (신선초 김치 숙성 중 Chlorophyll 함량 및 휘발성 향기 성분의 변화)

  • 전순실;조영숙;심선엽;손미예;최성희;이상래
    • The Korean Journal of Food And Nutrition
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    • v.13 no.1
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    • pp.59-65
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    • 2000
  • Changes in the contents of volatiles and chlorphylls of Angelica keiskei Kimchi during fermentation were investigated. Total chlorphyll contents decreased gradually during the fermentatin period. Chlorphyll a decreased rapidly from 1.38 to 0.5$\mu\textrm{g}$/cm by the 5th day of fermentation with no further changes at 7th day, while chlorophyll b did not show any change by 3rd day and decomposed rapidly thereafter. Major voltile compounds identified in the kimchi were sabinene, $\alpha$-pinene and $\alpha$-terpinolene, which were gradually decreased during fermentation. There were significant differnce in color, sourness, bitterness and overall acceptability in sernsory evauation of Angelica keiskei Kimchi during fermentation at 2$0^{\circ}C$.

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Conversion of Acidic Polysaccharide and Phenolic Compound of Changed Ginseng by 9 Repetitive Steaming and Drying Process, and Its Effects of Antioxidation (인삼의 구증구포에 의한 산성다당체, 페놀성화합물의 변환 및 항산화능)

  • Kim, Do-Wan;Lee, Yun-Jin;Min, Jin-Woo;Kim, Yu-Jin;Rho, Young-Deok;Yang, Deok-Chun
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.23 no.1
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    • pp.121-126
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    • 2009
  • Korean ginseng (Panax ginseng C. A. Meyer) has been used as an important medicinal plant in the Orient for a long time. It has been claimed that ginseng has many beneficial bioactive effects on human health, such as antitumor, antistress, antiaging and enhancing immune functions. Red ginseng possibly have new ingredients converted during steaming and dry process from fresh ginseng. In this study, pharmacological efficacy and ingredient conversion of ginseng by 9 repetitive steaming and drying process were investigated measuring conversion efficiency of acidic-polysaccharide, phenolic compounds and inhibition of peroxide lipides. It was found that acidic-polysaccarides were increased by heat treatment. In addition, maltol of phenolic compounds, strong antioxidant, produced during the process of red ginseng by Maillard reaction. Acidic-polysaccarides and maltol were increased after the 1st and 3rd steaming and drying treatments, but they were decreased gradually after 5th, 7th, and 9th treatments. Antioxidant activity was increased as increasing treatment times of steaming and drying without significance. Effect of red ginseng extract on inhibition of peroxide was increased gradually until after the 7th treatment, but remarkably decreased after the 9th treatment.

Pharmacophore-Based Comparative Molecular Similarity Indices Analysis of CRTh2 Antagonists

  • Babu, Sathya
    • Journal of Integrative Natural Science
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    • v.8 no.4
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    • pp.273-284
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    • 2015
  • Chemoattractant Receptor Homologous molecule expressed on Th2 cells (CRTh2) is a chemoattractant receptor with seven transmembrane helices targeted for inflammatory diseases such as asthma and allergic rhinitis. In this study, pharmacophore based Comparative Molecular Similarity Indices Analysis (CoMSIA) were performed on the series of 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Initially, GASP module was used for generation of pharmacophore models using five highly active compounds from the dataset. Among the generated pharmacophores, the best pharmacophore model was selected based on fitness score and was used as template for the alignment of compounds which was used for CoMSIA analysis. The best predictions were obtained utilizing steric, hydrophobic and H-bond acceptor parameters showing a $q^2$=0.559 and $r^2$=0.730. 15 test set compounds was used to investigate the predictive ability of the CoMSIA model. Contour maps suggested that presence of bulky substituents and H-bond acceptor atoms at $5^{th}$ position of benzene ring will increase the activity of the compounds. The results obtained from this study will be useful to design more potent CRTh2 antagonists.

Pharmacophore Based Comparative Molecular Field Analysis of CRTh2 Antagonists

  • Babu, Sathya;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.8 no.2
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    • pp.89-98
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    • 2015
  • Chemoattractant receptor homologous molecule expressed on Th2 cells (CRTh2) is a G-protein coupled receptor targeted for inflammatory diseases such as asthma, allergic rhinitis and atopic dermatitis. In this study, pharmacophore modeling and comparative molecular field analysis (CoMFA) were performed on the series of 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Five highly active compounds were used for generation of pharmacophore models using GASP module. The best pharmacophore model was selected and used as template for the alignment of compounds which was used for CoMFA analysis. The best predictions obtained for CoMFA was $q^2=0.545$, $r^2=0.756$. The predictive ability of the model was investigated using 15 test set compounds. Contour maps suggested that presence of bulky substituents at $5^{th}$ position of benzene ring connected to suphur atoms attached to imidazol ring will increase the activity of the compounds. The results obtained from this study will be useful to design more potent CRTh2 antagonists.

Application of TOC Standards for Managing Refractory Organic Compounds in Industrial Wastewater (난분해성 유기물 관리를 위한 산업폐수 TOC 기준 적용방안 연구)

  • Choi, Ik-Won;Kim, Jae-Hoon;Im, Jong-Kwon;Park, Tae-Jin;Kim, Se-Young;Son, Dae-Hee;Huh, In-Ae;Rhew, Doug-Hee;Yu, Soon-Ju
    • Journal of Korean Society on Water Environment
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    • v.31 no.1
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    • pp.29-34
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    • 2015
  • The aim of this study is to understand the limitation of organic pollutant indexes ($BOD_5$, $COD_{Mn}$, $COD_{Cr}$) and estimate to set the TOC standard by comparing oxidation rates of $BOD_5$, $COD_{Mn}$, $COD_{Cr}$ and TOC based on the 487 organic compounds and 11 effluents from industrial wastewater containing various and unknown organic compounds. The range of ratio of theoretical oxygen demand (ThOD) to theoretical organic carbon (TOCt) was 0.00~5.33 and average ratio of classes of organic compounds was 2.68~3.70. According to classes of organic compounds, the average ratio of $O_2/C$ was 1.2 (range : 1.02~1.39). The order of oxidation rate for 15 organic compounds was TOC (90.7%) > $COD_{Cr}$ (88.8%) > $BOD_5$ (54.4%) > $COD_{Mn}$ (30.8%) indicating the lower oxidation rate of $BOD_5$ and COD compared with TOC. The ranking for average oxidation rate was $COD_{Cr}$ > $COD_{Mn}$ > $BOD_5$ indicating that $BOD_5$, $COD_{Mn}$ could be underestimated comparing with ThOD of organic compounds in case of industrial wastewater containing high concentration of refractory organic compounds. Most of the relationships between organic pollutant indexes and TOC were higher than 0.9. The ratio of TOC to organic compound indexes decreased in the order : $COD_{Cr}$ (3.4) > $COD_{Mn}$ > (1.9) > $BOD_5$ (0.7).

Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSixP1-x: First-principles investigation and prospects for clean nuclear energy applications

  • Siddique, Muhammad;Iqbal, Azmat;Rahman, Amin Ur;Azam, Sikander;Zada, Zeshan;Talat, Nazia
    • Nuclear Engineering and Technology
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    • v.53 no.2
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    • pp.592-602
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    • 2021
  • Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSixP1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.