• Title/Summary/Keyword: structural reaction

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Formation of Layered Bi5Ti3FeO15 Perovskite in Bi2O3-TiO2-Fe2O3 Containing System

  • Borse, Pramod H.;Yoon, Sang-Su;Jang, Jum-Suk;Lee, Jae-Sung;Hong, Tae-Eun;Jeong, Euh-Duck;Won, Mi-Sook;Jung, Ok-Sang;Shim, Yoon-Bo;Kim, Hyun-Gyu
    • Bulletin of the Korean Chemical Society
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    • v.30 no.12
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    • pp.3011-3015
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    • 2009
  • Structural and thermo-analytical studies were carried out to understand the phase formation kinetics of the single phase $Bi_5Ti_3FeO_{15}$ (BTFO) nanocrystals in $Bi_2O_3-Fe_2O_3-TiO_2$, during the polymerized complex (PC) synthesis method. The crystallization of Aurivillius phase $Bi_5Ti_3FeO_{15}$ layered perovskite was found to be initiated and achieved under the temperature conditions in the range of ${\sim}$800 to 1050$^{\circ}C$. The activation energy for grain growth of $Bi_5Ti_3FeO_{15}$ nanocrystals (NCs) was very low in case of NCs formed by PC (2.61 kJ/mol) than that formed by the solid state reaction (SSR) method (10.9 kJ/mol). The energy involved in the phase transformation of Aurivillius phase $Bi_5Ti_3FeO_{15}$ from $Bi_2O_3-Fe_2O_3-TiO_2$ system was ${\sim}$ 69.8 kJ/mol. The formation kinetics study of $Bi_5Ti_3FeO_{15}$ synthesized by SSR and PC methods would not only render a large impact in the nanocrystalline material development but also in achieving highly efficient visible photocatalysts.

An Overview on the Physicochemical Properties and Photocatalytic Pollutant Removal Performances of TiO2-incorporated Cementitious Composites (TiO2 혼입 시멘트 복합체의 물리·화학적 특성 및 광촉매 반응을 이용한 오염물 제거 성능에 대한 개요)

  • Seo, J.H.;Yoon, H.N.;Kim, S.H.;Bae, S.J.;Jang, D.I.;Kil, T.G.;Park, S.M.;Lee, H.K.
    • Composites Research
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    • v.33 no.2
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    • pp.68-75
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    • 2020
  • Recently, the use of TiO2 as a phtocatalyst has been diversely investigated due to its excellent durability performance and high photocatalytic reaction efficiency. Active researches have particularly focused on the development of TiO2-incorporated cementitious composites in order to remove the atmospheric pollutants. Furthermore, the potential utilization of TiO2-incorporated cementitious composites as road accessories such as tunnels, road median separators and soundproof walls in the form of tiles, blocks and structural components has been widely examined. In this regard, a thorough understanding on the material characteristics of TiO2-incorporated cementitious composites should be preceded. The present overview article, therefore, revisits previous studies of TiO2-incorporated cementitious composites and summarizes their various physicochemical properties and atmospheric pollutants removal performance.

Effect of $Al^{3+}$ Dopant on the Electrochemical Characteristics Of Spinel-type $Li_{4}Ti_{5}O_{12}$ (스피넬형 $Li_{4}Ti_{5}O_{12}$ 음극물질의 $Al^{3+}$ 첨가에 의한 전기화학적 성능 변화)

  • Jeong, Choong-Hoon;Lee, Eui-Kyung;Bang, Jong-Min;Lee, Bong-Hee;Cho, Byung-Won;Na, Byung-Ki
    • Clean Technology
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    • v.14 no.3
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    • pp.171-175
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    • 2008
  • The effect of the addition of $Al^{3+}$ dopant on the electrochemical characteristics of $Li_{4}Ti_{5}O_{12}$ was investigated. $Li_{4}Ti_{5}O_{12}$ is known as a 2ero-strain material, and $Li_{3.95}Al_{0.15}Ti_{4.9}O_{12}$ has been manufactured by solid-state reaction with high energy ball milling (HEBM). The samples were heated at 800, 900 and $1000^{\circ}C$ in electric furnace. The structural and surface structures were measured by XRD (X-ray diffraction) and SEM (scanning electron microscopy). Cut-off voltage of charge/discharge cycles was $1.0{\sim}3.0 V$ to investigate reversible capacity, cycle stability and plateau voltage. The reversible capacity of $Li_{3.95}Al_{0.15}Ti_{4.9}O_{12}$ was 138 mAh/g.

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Determination of Reactivities by Molecular Orbital Theory (VI). Sigma MO Treatment on $C_6H_5YCH_2Cl$ (화학반응성의 분자궤도론적 연구 (제 6 보). $C_6H_5YCH_2Cl$ 형 화합물의 시그마분자궤도론적 고찰)

  • Lee, Ikc-Hoon;Lee, Bon-Su;Lee, Jae-Eui
    • Journal of the Korean Chemical Society
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    • v.18 no.2
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    • pp.85-96
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    • 1974
  • Extended H ckel Theory and CNDO/2 MO calculation methods have been applied to $C_6H_5YCH_2Cl$(Y = None, -$CH_2$-, -O-, -S-, -CO-, -$SO_2$-). It has been shown that charge distributions in molecules are mainly controlled by the migration of valence inactive electron, giving the order of ${\sigma}$-acceptor and ${\pi}$-donor effects -O- > -S- > -$CH_2$- > -$SO_2$-. The -CO- group exceptionally acts as ${\sigma}$-donor and ${\pi}$-acceptor. It was also predicted that, $S_N2$ reactivities of C$C_6H_5YCH_2Cl$ would be in the order of -O-${\thickapprox}$-CO- >>-S-${\thickapprox}$None > -$CH_2$-, neglecting solvent effect. From the results of our studies, we conclude that the structural factors influencing 의 $S_N$ reactivities will be: (1) positive charge developments on reaction center carbon atom (2) energy level of ${\sigma}$-antibonding unoccupied MO with respect to C-Cl bond. (3) ${\sigma}$-antibonding strength of C-Cl bond at that level.

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Structure and Reactivity of Alkylchloroformates. MO Theoretical Interpretations on Halide Exchange Reaction (염화 포름산 알킬의 구조와 반응성. 할로겐화 이온 교환반응에 대한 분자궤도론적 고찰)

  • Lee, Bon Su;Lee, Ik Choon
    • Journal of the Korean Chemical Society
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    • v.18 no.4
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    • pp.223-238
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    • 1974
  • CNDO/2 MO theoretical studies and kinetic studies of halide exchange reactions for alkylchloroformates have been carried out in order to investigate structure-reactivity relationship of alkylchloroformates. From the result of energetics, it was concluded that the most stable configuration of alkylchloroformate is that in which alkyl group and chlorine are trans to each other, and that the hindered rotation about the bond between the carbonyl carbon and alkoxy-oxygen bond is attributed to the ${\pi}-$electron delocalization. It has been found that the large charge separation is due to -M effect of carbonyl and alkoxy oxygens and-I effect of chlorine. The order of rates in solvents studied was $(CH_3)_2 > CO > CH_3CN{\gg}MeOH.$$I^->Br^->Cl^-$ in protic solvent, and of Cl^->Br^- >I^-$ in dipolar aprotic solvents. Alkyl group contribution has the decreasing order of $CH_3-> C_2H-{\gg}i-C_3H_7-.$ The solvent effect has been interpreted on the basis of initial and final state contribution. A transition state model has been suggested, and it has been proposed that the most favorable mechanism is the addition-elimination. From the results of activation parameters and electronic properties, an energy profile has been proposed. Structural factors determining reactivities of alkylchloroformates have been shown to be charge, energy level of ${\alpha}^*LUMO$ to C-Cl bond and ${\alpha}^{\ast} $antibonding strength with respect to C-Cl bond in this MO. Charge and polarizability of nucleophile, and the interaction of these effects with solvent structures are also found to be important.

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The Prediction Model of Adaptation in Patients with Rheumatoid Arthritis - Propositional Synthesis of Roy's and Lazarus & Folkman's Theory - (류마티스 관절염 환자의 적응 예측모형 -Roy이론과 Lazarus 및 Folkman 이론의 명제 합성-)

  • Kim, In-Ja;Suh, Moon-Ja
    • Journal of muscle and joint health
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    • v.4 no.2
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    • pp.197-220
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    • 1997
  • The lack of a comprehensive theory describing the mechanism of adaptation scientifically has been one of the limiting factors for the development of nursing intervention of patients with chronic illness. Since Roy's theory provides the general conceptual framework depicting adaptation process with structural stimuli and control mechanism, it is appropriate to understand the process of adaptation. But in Roy's theory, the propositions about cognator and regulator as control mechanisms are not clearly defined. For this reason, most of the previous researches applying the Roy's theory have disregarded the study of cognator and regulator. For the patients with chronic illness such as rheumatoid arthritis, it was reported that adaptation states were different for the same stimuli due to the difference of the control mechanism. Moreover in nursing it is important to identify the control mechanism which can be and must be intervened by nurses. It was the Lazarus and Folkman's theory that proposed the control mechanism. They suggested that individual differences in the reaction against the perceived stress are due to the difference in appraisal and coping. Therefore, the synthesis of Roy's and Lazarus and Folkman's propositions might help to clearly understand the mechanism of adaptation. From this point, a theoretical framework has been developed and tested. The subjects were the 297 patients who had been diagnosed rheumatoid arthritis and attended the outpatient clinic. A hypothetical prediction model of adaptation was tested by the covariance structure analysis with PC-LISREL 7.13. As a result, the overall fit was good($x^2$=78.83, p=0.00 ; GFI=0.96 : AGFI=0.90 ; RMR=0.04) for the hypothetical model. In the final model added GA(5, 1), the overall fit was increased ($x^2$=57.82, p=0.003 ; GFI=0.97 ; AGFI=0.93 : RMR=0.036). Except the fact that illness symptoms affected physical adaptation directly, it was supported that focal and contextual stimuli affected physical and psychosocial adaptation through appraisal and coping. Therefore, it was asserted that the synthesis of two theory's propositions was appropriate. So this model would be useful for the theoretical framework in the nursing practice. And this study synthesizing and testing the theory might contribute to establish nursing's scientific base.

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Study of the effect of vacuum annealing on sputtered SnxOy thin films by SnO/Sn composite target (SnO/Sn 혼합 타겟으로 스퍼터 증착된 SnO 박막의 열처리 효과)

  • Kim, Cheol;Cho, Seungbum;Kim, Sungdong;Kim, Sarah Eunkyung
    • Journal of the Microelectronics and Packaging Society
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    • v.24 no.2
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    • pp.43-48
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    • 2017
  • Conductive $Sn_xO_y$ thin films were fabricated via RF reactive sputtering using SnO:Sn (80:20 mol%) composite target. The composite target was used to produce a chemically stable composition of $Sn_xO_y$ thin film while controlling structural defects by chemical reaction between tin and oxygen. During sputtering pressure, RF power, and substrate temperature were fixed, and oxygen partial pressure was varied from 0% to 12%. Annealing process was carried out at $300^{\circ}C$ for 1 hour in vacuum. Except $P_{O2}=0%$ sample, all samples showed the transmittance of 80~90% and amorphous phase before and after annealing. Electrically stable p-type $Sn_xO_y$ thin film with high transmittance was only obtained from the oxygen partial pressure at 12%. The carrier concentration and mobility for the $P_{O2}=12%$ were $6.36{\times}10^{18}cm^{-3}$ and $1.02cm^2V^{-1}s^{-1}$ respectively after annealing.

Biotinoyl Domain of Human Acetyl-CoA Carboxylase;Structural Insights into the Carboxyl Transfer Mechanism

  • Lee, Chung-Kyung;Cheong, Hae-Kap;Ryu, Kyoung-Seok;Lee, Jae-Il;Jeon, Young-Ho;Cheong, Chae-Joon
    • Journal of the Korean Magnetic Resonance Society
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    • v.12 no.1
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    • pp.1-13
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    • 2008
  • Acetyl-CoA carboxylase (ACC) catalyzes the first step in fatty acid biosynthesis: the synthesis of malonyl-CoA from acetyl-CoA. As essential regulators of fatty acid biosynthesis and metabolism, ACCs are regarded as therapeutic targets for the treatment of metabolic diseases such as obesity, In ACC, the biotinoyl domain performs a critical function by transferring an activated carboxyl group from the biotin carboxylase domain to the carboxyl transferase domain, followed by carboxyl transfer to malonyl-CoA. Despite the intensive research on this enzyme, only the bacterial and yeast ACC structures are currently available, To explore the mechanism of ACC holoenzyme function, we determined the structure of the biotinoyl domain of human ACC2 and analyze its characteristics using NMR spectroscopy. The 3D structure of the hACC2 biotinoyl domain has a similar folding topology to the previously determined domains from E. coli and P. Shermanii, however, the 'thumb' structure is absent in the hACC2 biotinoyl domain. Observations of the NMR signals upon the biotinylation indicate that the biotin group of hACC2 does not affect the structure of the biotinoyl domain, while the biotin group for E. coli ACC interacts directly with the thumb residues that are not present in the hACC2 structure. These results imply that, in the E. coli ACC reaction, the biotin moiety carrying the carboxyl group from BC to CT can pause at the thumb of the BCCP domain. The human biotinoyl domain, however, lacks the thumb structure and does not have additional non-covalent interactions with the biotin moiety; thus, the flexible motion of the biotinylated lysine residue must underlie the "swinging arm" motion. This study provides insight into the mechanism of ACC holoenzyme function and supports the "swinging arm" model in human ACCs.

Photoluminescence Properties of CaNb2O6:RE3+ (RE = Dy, Eu, Dy/Eu) Phosphors (CaNb2O6:RE3+ (RE = Dy, Eu, Dy/Eu) 형광체의 발광 특성)

  • Cho, Hyungchel;Cho, Shinho
    • Korean Journal of Materials Research
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    • v.27 no.6
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    • pp.339-344
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    • 2017
  • A series of $CaNb_2O_6:Dy^{3+}$, $CaNb_2O_6$:$Eu^{3+}$ and $CaNb_2O_6:Dy^{3+}$, $Eu^{3+}$ phosphors were prepared by solid-state reaction process. The effects of activator ions on the structural, morphological and optical properties of the phosphor particles were investigated. XRD patterns showed that all the phosphors had an orthorhombic system with a main (131) diffraction peak. For the $Dy^{3+}$-doped $CaNb_2O_6$ phosphor powders, the excitation spectra consisted of one broad band centered at 267 nm in the range of 210-310 nm and three weak peaks; the main emission band showed an intense yellow band at 575 nm that corresponded to the $^4F_{9/2}{\rightarrow}^6H_{13/2}$ transition of $Dy^{3+}$ ions. For the $Eu^{3+}$-doped $CaNb_2O_6$ phosphor, the emission spectra under ultraviolet excitation at 263 nm exhibited one strong reddish-orange band centered at 612 nm and four weak bands at 536, 593, 650, and 705 nm. For the $Dy^{3+}$ and $Eu^{3+}$-codoped $CaNb_2O_6$ phosphor powders, blue and yellow emission bands due to the $^4F_{9/2}{\rightarrow}^6H_{15/2}$ and $^4F_{9/2}{\rightarrow}^6H_{13/2}$ transitions of $Dy^{3+}$ ions and a main reddish-orange emission line at 612 nm resulting from the $^5D_0{\rightarrow}^7F_2$ transition of $Eu^{3+}$ ions were observed. As the concentration of $Eu^{3+}$ ions increased from 1 mol% to 10 mol%, the intensities of the emissions due to $Dy^{3+}$ ions rapidly decreased, while those of the emission bands originating from the $Eu^{3+}$ ions gradually increased, reached maxima at 10 mol%, and then slightly decreased at 15 mol% of $Eu^{3+}$. These results indicate that white light emission can be achieved by modulating the concentrations of the $Eu^{3+}$ ions incorporated into the $Dy^{3+}$-doped $CaNb_2O_6$ host lattice.

Histologic Changes of the Immunologically Untreated Xenogenic Valved Conduit (면역학적 처리 없는 이종 심장 판막 도관의 조직학적 변화에 관한 연구)

  • Sung, Ki-Ick;Seo, Jeong-Wook;Kim, Won-Gon
    • Journal of Chest Surgery
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    • v.40 no.1 s.270
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    • pp.1-7
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    • 2007
  • Backgound: It has been shown that the endothelium of cardiac valves and adjacent great vessels have a reduced immune reaction compared to other vessels. We investigated the clinical feasibility of using immunologically untreated xenogenic valves, in a pig-to-goat pulmonary valve conduit implantation model. Material and Method: Porcine pulmonary valve conduits were prepared without specific immunologic treatment and implanted into the right ventricular outflow tract of goats while undergoing cardiopulmonary bypass. Two goats each were assigned to the following observation time intervals: one day, one week, three months, six months and twelve months. Echo-cardiographic examinations were performed prior to sacrifice of the goat to evaluate pulmonary valve function. After the xenograft specimens were retrieved, histological changes were evaluated microscopically. Result: Ten of the twelve animals survived the predetermined observation time intervals. Aneurysmal dilatations, of the anterior wall of the implanted pulmonary artery, were observed at each of three and twelve month-survival animals. A variable degree of pulmonary valve regurgitation was observed on echocardiography. However, valve stenosis, thrombotic occlusion and vegetation were not seen. Microscopically, the nuclei of the donor tissue disappeared as a result of pyknosis and karyolysis; however the three components of the implanted xenografts (the pulmonary artery, the valve and the infundibulum) were gradually replaced by host cells over time, while maintaining their structural integrity. Conclusion: Immunologically untreated xenogenic pulmonary valve conduits were replaced by host cells with few observed clinical problems in a pig to goat pulmonary valve implantation model. Therefore, they might be an alternative bioprosthesis option.