• Title/Summary/Keyword: cDFT

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Structural Study of Interface Layers in Tetragonal-HfO2/Si using Density Functional Theory (범 밀도함수론을 이용한 정방정계-HfO2/Si의 계면 층 구조 연구)

  • Kim, D.H.;Seo, H.I.;Kim, Y.C.
    • Journal of the Korean Vacuum Society
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    • v.18 no.1
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    • pp.9-14
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    • 2009
  • We calculated tetragonal-$HfO_2$/Si superstructures using density functional theory. When a and b-axes of cubic-$HfO_2$ were increased to be matched with those of Si for epitaxy contact, c-axis was decreased by 2%. Eight models of interface layers were produced by choosing different terminating layers of tetragonal-$HfO_2$ and Si substrate at the interface. It was found that tetragonal-$HfO_2$ $(004)_{1/4}$/Si $(004)_{3/4}$ superstructure was the most favorable and tetragonal-$HfO_2$ (004)$_{1/4}$/Si (002) superstructure was the most unfavorable. In tetragonal-$HfO_2$ $(004)_{1/4}$/Si (002) superstructure, there were two oxygen vacancies in tetragonal-$HfO_2$ as two oxygen atoms were moved to Si substrate located at the interface.

Allyl-isothiocyanate Content and Physiological Responses of Wasabia japonica Matusum as Affected by Different EC Levels in Hydroponics (고추냉이 수경재배시 배양액의 EC 수준이 Allyl-isothiocyanate 함량과 생리적 반응에 미치는 영향)

  • Choi, Ki-Young;Lee, Yong-Beom;Cho, Young-Yeol
    • Horticultural Science & Technology
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    • v.29 no.4
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    • pp.311-316
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    • 2011
  • This study aimed to determine the effect of EC (electrical conductivity) levels of nutrient solution in hydroponic culture on allyl-isothiocyanate (AITC) content within plant tissues, Vitamin C content and physiological responses in wasabi plant (Wasabia japonica M. 'Darma'). The 'Darma' was grown for 5 weeks with a deep flow technique (DFT) system controlled at 5 different EC levels, including 0.5, 1, 2, 3, and $5dS{\cdot}m^{-1}$. In result, the highest total content of AITC showed at EC level 5 and $3dS{\cdot}m^{-1}$ for 1 or 5- week, respectively. The total content of AITC increased about 1.2-1.4 times when the plants were grown in the EC levels between 0.5 and $2dS{\cdot}m^{-1}$, whereas the content decreased about 6 and 56 % in the EC level 3 and $5dS{\cdot}m^{-1}$, respectively. The content of AITC was relatively higher in petiole tissue, about 53 %, taken from 1 week-grown plants when the EC was controlled between 0.5 and $2dS{\cdot}m^{-1}$. Root tissue also had relatively higher content of AITC, about 45.1 %, when the EC was controlled at 3 and $5dS{\cdot}m^{-1}$. However, a 5-fold decrease in the AITC content was found in blade tissue and a 6.8-fold decrease in root when the EC was controlled at $5dS{\cdot}m^{-1}$ for 5 weeks. There was no significant difference in the vitamin C content in 1-week grown leaf tissues under the different EC level treatments; but, the content increased about 27% in 5-week grown plants at the EC level between 0.5 and $2dS{\cdot}m^{-1}$, compared to the 1 week-grown leaf tissue. Electrolyte leakage of leaf tissue taken from 3-week grown plant was 3-fold higher at the EC level $5dS{\cdot}m^{-1}$, compared to the EC level between 0.5 and $2dS{\cdot}m^{-1}$. Chlorophyll content, photosynthesis rate and transpiration rate were decreased when the EC was controlled at higher than $2dS{\cdot}m^{-1}$. Leaf water content, specific leaf area and growth were decreased when the EC was controlled at $5dS{\cdot}m^{-1}$ for 5 weeks. All the integrated results in this study suggest that the EC level of nutrient solution should be maintained at lower than $3dS{\cdot}m^{-1}$ in order to improve nutritional value and quantity required for hydroponically grown wasabi as functional vegetable.

Effect of Toothbrushing Facilities on PHP index and Oral Health-related Behaviors in Elementary schools (양치시설 여부에 따른 초등학생의 구강환경관리능력 및 구강건강관리 행태 변화)

  • Hwang, Yoon-Suk;Kim, Kwang-Soo;Jung, Jae-Yeon;Yoo, Young-Jae;Kim, Soo-Hwa;Lim, Mi-Hee
    • The Journal of Korean Society for School & Community Health Education
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    • v.14 no.3
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    • pp.27-40
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    • 2013
  • Objectives: This study was conducted at a request for cooperation through an analysis of the effect of toothbrushing facilities at a public health center in Seongdong-gu. Also, with the aim of furnishing basic data to the proposal of a program for improving the ability of school aged children in managing oral cavities and developing a correct toothbrushing habit, the study conducted an investigation of how toothbrushing facilities affect change in the oral environment management ability and behavior of oral health care. Methods: From among elementary schools located in Seongdong-gu, Seoul the study selected A Elementary School where toothbrushing facilities were established and have been operated since 2008, B Elementary School in an adjacent region within the jurisdiction of Seongdong-gu where the demographic environment was similar among schools where toothbrushing facilities were newly established in 2012, and C Elementary School without toothbrushing facilities. Then the study was aimed at first grade students of the schools and an investigation was carried out from April to December 2012. Through a dental checkup, the study evaluated the teeth and periodontal health conditions, and a test of the oral environment management ability was undertaken three times. Regarding change of oral health care behavior, the study carried out a self-recording survey. Results: 1. Concerning decayed and filled tooth(dft) and decayed and filled surface (dfs), A Elementary School where toothbrushing facilities have been established and operated from the past showed a relatively lower decayed, missing, and filled teeth index than B Elementary School where toothbrushing facilities were established in 2012 or C Elementary School without toothbrushing facilities; however, there was no significant difference (p>0.05). For CPI, there was no significant difference by school; however, in looking into the difference between boy students and girl students, Code (0) was discovered higher in boy students whereas Code (1) was shown higher in girl students. 2. In the PHP index test in accordance with the existence of toothbrushing facilities before the installation of toothbrushing facilities, for A Elementary School where toothbrushing facilities have been established and operated from the past, the school recorded 4.28 points whereas B Elementary School where the facilities were established in 2012 recorded 3.51 points. Meanwhile C Elementary School without the facilities posted 4.30 points. Therefore there was a statistically significant difference according to the existence of toothbrushing facilities (p<0.05). 3. In a comparison of teeth health care behavior according to the existence of toothbrushing facilities, the number of answers that the respondent did not brush their teeth after lunch over the past one week was higher in B Elementary School and C Elementary School where there were no toothbrushing facilities. Regarding the average number of brushing after lunch for one week, it was discovered higher in A Elementary School (p<0.01). 4. In change of teeth health care behavior before and after the establishment of toothbrushing facilities, the case of answering that the respondents did not brush their teeth after lunch for one week increased more after establishment than before establishment. Also the average number of teeth brushings after lunch for one week decreased further after the establishment of toothbrushing facilities; however, it did not show a significant difference (p>0.05). One of the reasons that they do not brush their teeth, "the lack of a place", decreased significantly after establishment than before establishment (p<0.05), whereas the answer, "because their friends do not brush their tooth" increased greatly after establishment than before establishment; however, there was no significant difference (p>0.05). 5. In the comparison of the degree of knowledge about dental health according to the existence of toothbrushing facilities, the degree of knowledge about dental health was shown significantly higher in A Elementary School with toothbrushing facilities than in B Elementary School and C Elementary School where there were no toothbrushing facilities (p<0.01). Conclusions: Given the above results, it is difficult to attract change in behavior only with an environmental improvement; therefore, it is deemed necessary to develop an educational program that will help children to make a habit of oral health care not only through a school but also through a related policy and financial support of government organizations as well as the construction of the basis of a systematic and consistent cooperative system with relevant organizations.

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Potential Energy Surfaces for Ligand Exchange Reactions of Square Planar Diamagnetic PtY2L2 Complexes:Hydrogen Bond (PtY2L2···L') versus Apical (Y2L2Pt···L') Interaction

  • Park, Jong-Keun;Kim, Bong-Gon
    • Bulletin of the Korean Chemical Society
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    • v.27 no.9
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    • pp.1405-1417
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    • 2006
  • The geometrical structures, potential energy surfaces, and energetics for the ligand exchange reactions of tetracoordinated platinum $(PtY_2L_2\;:\;Y,\;L=Cl^-,\;OH^-,\;OH_2,\;NH_3)$ complexes in the ligand-solvent interaction systems were investigated using the ab initio Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The potential energy surfaces for the ligand exchange reactions used for the conversions of $(PtCl_4\;+\;H_2O)^{^\ast_\ast}\;to\;[PtCl_3(H_2O)\;+\;Cl^-]$ and $[Pt(NH_3)_2Cl_2\;+\;H_2O]$$[Pt(NH_3)_2Cl_2\;+\;H_2O]$ to $[Pt(NH_3)_2Cl(H_2O)\;+\;Cl^-] $ were investigated in detail. For these two exchange reactions, the transition states $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime])^{^\ast_\ast} $ correspond to complexes such as $(PtCl_4{\cdot}{\cdot}{\cdot}H_2O)^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$, respectively. In the transition state, $([PtCl_4{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]]^{^\ast_\ast})$ have a kind of 6-membered $(Pt-Cl{\cdot}{\cdot}{\cdot}HOH{\cdot}{\cdot}{\cdot}Cl)$ and $(Pt-OH{\cdot}{\cdot}{\cdot}Cl{\cdot}{\cdot}{\cdot}HN)$ interactions, respectively, wherein a central Pt(II) metal directly combines with a leaving $Cl^-$ and an entering $H_2O$. Simultaneously, the entering $H_2O$ interacts with a leaving $Cl^-$. No vertical one metal-ligand interactions $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime]) $ are found at the axial positions of the square planar $(PtY_2L_2)$ complexes, which were formed via a vertically associative mechanism leading to $D_{3h}$ or $C_{2v}$-transition state symmetry. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes are also examined quantitatively. Schematic diagrams for the dissociation reactions of {PtCl4(H2O)n(n=2,4)} into {$PtCl_3(H_2O)_{(n-2)}\;+\;Cl^-(H_2O)_2$} and the binding energies {$PtCl_4(H_2O)_n$(n = 1-5)} of $PtCl_4$ with water molecules are drawn.

Growth and Phytochemical Contents of Spinach as Affected by Different Type of Fluorescent Lamp in a Closed-type Plant Production System (밀폐형 식물 생산 시스템에서 형광등 종류에 따른 시금치의 생육 및 기능성물질 함량)

  • Kim, Hyeon Min;Kim, Hye Min;Lee, Hye Ri;Lee, Jae Eun;Hwang, Seung Jae
    • Journal of Bio-Environment Control
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    • v.26 no.4
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    • pp.386-392
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    • 2017
  • This study was conducted to examine the growth and phytochemical contents of spinach (Spinacia Oleracea L. 'Sushiro') as affected by different fluorescent lamps in a closed-type plant production system. Seeds were sown in a 128-cell plug tray filled in rockwool. The seedlings were transplanted into a DFT (deep floating technique) system with recycling nutrient solution (EC $1.5dS{\cdot}m^{-1}$ and pH 6.5) in a closed-type plant production system. The seedlings were grown under 3 types of fluorescent lamp, #S (NBFHF 32S8EX-D, CH LIGHTING Co. Ltd., China), #O (FHF32SSEX-D, Osram Co. Ltd., Germany), and #P (FLR32SS EX-D, Philips Co. Ltd., The Netherlands) at $150{\mu}mol{\cdot}m-2{\cdot}s^{-1}\;PPFD$ with a photoperiod of 14/10 (light/dark) hours. Plants were cultured under condition of $25{\pm}1^{\circ}C$ temperature and $60{\pm}10%$ relative humidity after transplanting. Thirty plants per each treatment were cultivated for $6^{th}$ week after transplanting. And growth and phytochemical contents were measured at $3^{rd}$ and $6^{th}$ week. At the $3^{rd}$ week after transplanting, the parameter values of plant height and leaf width were higher in the #O than the others. However, fresh and dry weights of root were the greatest in the #P. In addition, total phenolic concentration was the greatest in the #P. At $6^{th}$ week after transplanting, the #O had the greatest growth of spinach in the plant height and fresh and dry weights of shoot. The total phenolic contents significantly increased in the #O and showed significantly difference. However, there was no significant difference all treatments in antioxidant activity. Therefore, these results suggest that the #O was suitable for the growth and phytochemical accumulation of spinach in a closed-type plant production system.

Growth and Contents of Anthocyanins and Ascorbic Acid in Lettuce as Affected by Supplemental UV-A LED Irradiation with Different Light Quality and Photoperiod (상이한 광질 및 광주기 하에서 UV-A LED 부가 조사가 상추의 생장, 안토시아닌 및 아스코르빈산 함량에 미치는 영향)

  • Kim, Yong Hyeon;Lee, Jae Su
    • Horticultural Science & Technology
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    • v.34 no.4
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    • pp.596-606
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    • 2016
  • The growth and contents of anthocyanins and ascorbic acid in lettuce(Lactuca sativa L., 'Jeokchima') as affected by supplemental UV-A LED irradiation under different light quality and photoperiod conditions were analyzed in this study. Five light qualities, namely B (blue LED), R (red LED), BUV (blue LED+UV-A LED), RUV (red LED+UV-A LED) and Control (white fluorescent lamps) with photoperiods of 12/12 hours (day/night), 16/8 hours, or 20/4 hours were provided to investigate the effects of light quality and photoperiod on the growth and accumulation of anthocyanins and ascorbic acid in lettuce leaves. As measured 28 days after transplanting, the number of leaves, leaf length, leaf width, leaf area, shoot fresh weight and dry weight of lettuce were significantly affected by light quality and photoperiod. The number of leaves, leaf length, leaf width, leaf area, shoot fresh weight and dry weight of lettuce grown under R treatment increased with increasing light period. By contrast, leaf development was inhibited, but chlorophyll content increased, under B treatment. Supplemental UV-A irradiation significantly decreased leaf length, leaf width, leaf area and shoot fresh weight. Anthocyanins in lettuce increased significantly with decreasing dark period under B treatment. A synergistic effect of supplemental UV-A LED irradiation on anthocyanins accumulation was found for lettuce leaves grown under R treatment but not B treatment. Ascorbic acid in lettuce was greatly affected by photoperiod. Ascorbic acid content at BUV and RUV treatments increased by 20-30% compared to without UV-A LED irradiation. From these results, it was concluded that growth and contents of anthocyanins and ascorbic acid in lettuce are significantly affected by supplemental UV-A LED irradiation. The results obtained in this study will be informative for efforts to improve the nutritional value of leafy vegetables grown in plant factories.