• Title/Summary/Keyword: Crystal structure analysis

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Solvothermal Synthesis and Photocatalytic Property of SnNb2O6

  • Seo, Se-Won;Lee, Chan-U;Seong, Won-Mo;Heo, Se-Yun;Kim, Sang-Hyeon;Lee, Myeong-Hwan;Hong, Guk-Seon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.441-442
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    • 2012
  • SnNb2O6 nanoplates were prepared by a solvothermal synthesis with water and ethanol mixed solvent. For improvement of their properties, as-prepared SnNb2O6 nanoplates also were calcined. The prepared powder was characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), Transmission electron microscope (TEM), UV-vis spectroscopy, Raman spectrometer, Brunauer-Emmett-Teller (BET). The calcined nanoplates have a smaller surface area than the as-prepared nanoplates have. Nevertheless, in the case of the optical absorption properties, the calcined nanoplates could absorb more photon energy, due to their smaller band gaps. The Raman analysis revealed that the Nb-O bond length in the calcined nanoplates was longer than that in the as-prepared nanoplate. The higher optical absorption capability of the calcined nanoplates was attributed to the local structure variation within them. Furthermore the high crystallinity of the calcined nanoplates is effective in improving the generation of charge carriers. So, It was found that the calcined nanoplates exhibited superior photocatalytic activity for the evolution of H2 from an aqueous methanol solution than the as-prepared nanoplates under UV and visible irradiation. Therefore, the enhanced photocatalytic activity of the calcined nanoplate powder for H2 evolution was mainly attributed to its high crystallinity and improved optical absorption property resulting from the variation of the crystal structure.

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Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains

  • John, Arun;Umashankar, Vetrivel;Krishnakumar, Subramanian;Deepa, Perinkulam Ravi
    • Genomics & Informatics
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    • v.13 no.1
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    • pp.15-24
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    • 2015
  • Fatty acid synthase (FASN, EC 2.3.1.85), is a multi-enzyme dimer complex that plays a critical role in lipogenesis. This lipogenic enzyme has gained importance beyond its physiological role due to its implications in several clinical conditions-cancers, obesity, and diabetes. This has made FASN an attractive pharmacological target. Here, we have attempted to predict the theoretical models for the human enoyl reductase (ER) and ${\beta}$-ketoacyl reductase (KR) domains based on the porcine FASN crystal structure, which was the structurally closest template available at the time of this study. Comparative modeling methods were used for studying the structure-function relationships. Different validation studies revealed the predicted structures to be highly plausible. The respective substrates of ER and KR domains-namely, trans-butenoyl and ${\beta}$-ketobutyryl-were computationally docked into active sites using Glide in order to understand the probable binding mode. The molecular dynamics simulations of the apo and holo states of ER and KR showed stable backbone root mean square deviation trajectories with minimal deviation. Ramachandran plot analysis showed 96.0% of residues in the most favorable region for ER and 90.3% for the KR domain, respectively. Thus, the predicted models yielded significant insights into the substrate binding modes of the ER and KR catalytic domains and will aid in identifying novel chemical inhibitors of human FASN that target these domains.

Effect of Flame Temperature on the Characteristics of Flame Synthesized TiO2 Nanoparticles (수소 확산화염에서 화염온도가 TiO2 나노입자의 합성에 미치는 영향)

  • Lee Gyo Woo;Lee Seung Bok;Lee Jongsoo;Bae Gwi-Nam
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.29 no.9 s.240
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    • pp.1013-1021
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    • 2005
  • In this work, $TiO_2$ nanoparticles were synthesized using a N2-diluted hydrogen coflow diffusion flame. The effects of flame temperature on the crystalline structure and the size of formed nanoparticles were investigated. The maximum centerline temperature of the flame ranged from 1,920K for $H_2-only$ flame to 863k for $81\%\;N_2-diluted$ flame. The morphology and the crystal structure of $TiO_2$ nanoparticles were analyzed by a TEM and a XRD, respectively. The particle size distribution was also measured by using a scanning mobility particle size. (SMPS). The mean particle diameter was calculated from the TEM images depended on the flame temperature, having minimum at about 1,look. Based on the SMPS measurements, the mean particle diameter of $TiO_2$ nanoparticles at flame temperatures > 1,300K was smaller than that at flame temperatures < 1,300K. From the XRD analysis, it was evident that the anatase fraction increased with decreasing the flame temperature. The portion of anatase phase in $TiO_2$ nanoparticles might be greater than $80\%$ when the flame temperature was lower than 1,000K.

Effect of Oxygen Pressure on the Structure Properties of Mg0.5Zn0.5O Thin Films Grown by Pulsed Laser Deposition (PLD 법으로 증착된 Mg0.5Zn0.5O 박막의 산소 분압 변화에 따른 구조적 특성)

  • Kim, Chang-Hoi;Kim, Hong-Seung;Lee, Jong-Hoon;Park, Mi-Seon;Pin, Min-Wook;Lee, Won-Jae;Jang, Nak-Won
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.25 no.9
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    • pp.717-722
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    • 2012
  • In this work, we study on the effects of the oxygen pressure on the structural and crystalline of MgZnO thin films. MgZnO thin films were deposited on p-Si (111) substrates by using pulsed laser deposition. The X-ray diffraction analysis and energy-dispersive X-ray results revealed that as the oxygen pressure increased and Mg content in the MgZnO films decreased. Also Crystal structure was changed from cubic rock salt to hexagonal wurtzite. Alpha step and atomic force microscopy results showed that the thickness of the films are about 100 nm, and it has been found that the MgZnO (002) preferred orientation were deposited with increasing the oxygen pressure. Therefore, the effect of the preferred orientation, the crystallization grew in the form of the columnar; Grain size and RMS of the films were increased with increasing oxygen pressure.

Basic Study on P(VDF-TrFE) Smart Sensor for Monitoring Composite Structure Behaviors (복합재료구조물 거동 관찰을 위한 P(VDF-TrFE) 스마트센서의 기초연구)

  • Bae, Ji-Hun;Chang, Seung-Hwan
    • Composites Research
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    • v.28 no.3
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    • pp.75-80
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    • 2015
  • Poly(vinylidene fluoride-trifluoroethylene; P(VDF-TrFE)) is one of the most promising electroactive polymers with numerous application potentials in many fields of industry. Because of its good electro-mechanical properties P(VDF-TrFE) has been used for a number of sensors and actuators and also can be used for monitoring composite structure behaviors as a sensor. Three different ways (Electrical poling, annealing-cooling, and pressing) to enhance ${\beta}$-phase of P(VDF-TrFE) film were carried out. A microscopic analysis was conducted using X-ray diffraction to investigate the effect of such treatments on piezoelectric properties of P(VDF-TrFE) film. From the results, poling, annealing-cooling, and pressing were all effective to enhance ${\beta}$ crystallinity of P(VDF-TrFE) film and the maximum increase rate was 62.80% from 45.29% of the control group.

Growth and Characterization of ZnS Thin Films by Hot Wall Method (Hot Wall법에 의한 ZnS 박막의 제작과 특성)

  • Lee, Sang-Tae
    • Journal of Navigation and Port Research
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    • v.26 no.1
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    • pp.120-126
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    • 2002
  • ZnS thin films were prepared on glass substrate at various deposition conditions by a HW apparatus and were systematically investigated the growth characteristics, in terms of deposition edges by a double beam spectro- photometer, and structural analysis by a x-ray diffraction rates were increased with incresing the cell temperature and vapor pressure of sulfur, but were decreased with increasing substrate temperature. The optical characteristics of thin films depends on the deposition rates. The band gap energies of 3.46∼3.52eV measured at room temperature are smaller than the theoretical value of 3.54eV, indicating that impurities exist in the crystal. All ZnS thin films are oriented in the (III) principal direction of a zincblende structure. By introducing the S vapor, optical and crystalline properties have been improved.

Purification of Streptomyces Phospholipase D by Immunoaffinity Chromatoghraphy using Peptide Antibodies (Streptomyces phospholipase D의 정제를 위한 면역친화 크로마토그래피의 개발)

  • Park, In-Sun;Kim, Young-Ah;Jeong, Su-Jin;Uhm, Tai-Boong
    • Korean Journal of Microbiology
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    • v.42 no.4
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    • pp.294-298
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    • 2006
  • An immunoaffinity chromatography for the specific binding of Streptomyces somaliensis phospholipase D (PLD) that is considered as an industrially potential enzyme was developed. By using the protein structure prediction programs and the X-ray crystal structure of a Streptomyces PLD, 5 different epitopes with high antigenicity that are predicted to locate on the surface of the S. somaliensis PLD were selected and then synthesized for the preparation of antipeptide antibodies. Each purified rabbit IgG was coupled with NHS-activated Sepharose to prepare the immunoaffinity resins. After one-step purification of the culture concentrate on the antipeptide IgG-coupled Sepharose column, SDS-PAGE and the Western blot analysis of the purified samples showed that purification of PLD on the affinity columns was satisfactory, indicating that the peptide design using the structural information of Streptomyces PLDs was rational. However, the purified PLD in the solution aggregated rapidly, which resulted in poor specific activity and low purification yield.

Structural, Magnetic, and Optical Studies on Normal to Inverse Spinel Phase Transition in FexCo3-xO4 Thin Films

  • Kim, Kwang-Joo;Kim, Hee-Kyung;Park, Young-Ran;Ahn, Geun-Young;Kim, Chul-Sung;Park, Jae-Yun
    • Journal of the Korean Magnetics Society
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    • v.15 no.2
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    • pp.96-99
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    • 2005
  • Phase transition from normal- to inverse-spinel structure has been observed for $Fe_xCo_{3-x}O_4$ thin films as the Fe composition (x) increases from 0 to 2. The samples were fabricated as thin films by sol-gel method on Si(100) substrates. X-ray diffraction measurements revealed a coexistence of two phases, normal and inverse spinel, for $0.76{\le}x{\le}0.93$. The normal-spinel phase is dominant for $x{\le}0.55$ while the inverse-spinel phase for $x{\ge}l.22$. The cubic lattice constant of the inverse-spinel phase is larger than that of the normal-spinel phase. For both phases the lattice constant increases with increasing x. X-ray photoelectron spectroscopy measurements revealed that both $Fe^{2+}$ and $Fe^{3+}$ ions exist with similar strength in the x=0.93 sample. Conversion electron $M\ddot{o}ssbauer$ spectra measured on the same sample showed that $Fe^{2+}$ ions prefer the octahedral $Co^{3+}$ sites, indicating the formation of the inverse-spinel phase. Analysis on the measured optical absorption spectra for the samples by spectroscopic ellipsometry indicates the dominance of the normal spinel phase for low x in which $Fe^{3+}$ ions tend to substitute the octahedral sites.

Design and Tolerance Analysis of 3-D Stereoscopic Display Modules with Alternating Illumination Angles (조명각 변조 방식의 3차원 입체영상 표시장치설계 및 공차분석)

  • Jeong, Woo-Chul;Ha, Sang-Woo;Park, Hun-Yang;O, Beom-Hwan;Park, Se-Geun;Lee, El-Hang;Lee, Seung-Gol;Park, Sun-Ryoung;Jo, Sung-Min
    • Korean Journal of Optics and Photonics
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    • v.16 no.3
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    • pp.201-208
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    • 2005
  • In order to realize a 3-D stereoscopic display module with alternating illumination angles, several conditions required for a lenticular lens sheet were established, and then both the lens specification and the module structure were designed. Also the performance of the stereoscopic module and its tolerance characteristics were evaluated by simulating the intensity distribution on the observation plane with a finite-ray tracing technique. From the evaluation, it was known that an intersection area between two adjacent lenses should not be filled and that the lateral mismatch between a planar liquid crystal shutter and a lens sheet should be minimized.

A Study on the Electrical Characteristic of Organic Thin Film by Physical Vapor Deposition Method (진공증착법을 이용한 유기 박막의 전기적 특성에 관한 연구)

  • Park, Su-Hong
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.57 no.2
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    • pp.140-145
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    • 2008
  • The purpose of this paper is to discuss the fabrication of $\beta$-PVDF($\beta$-Polyvinylidene fluoride, ${\beta}-PVF_2$) organic thin films using the vapor deposition method. Vapor deposition was performed under the following conditions: the temperature of evaporator, the applied electric field, and the pressure of reaction chamber were $270^{\circ}C$, 142.4 kV/cm, and $2.0{\times}10^{-5}\;Torr$, respectively. The molecular structure of the evaporated organic thin films were evaluated by a FT-IR. The results showed that the characteristic absorption peaks of $\beta$-form crystal increase from 72% to 95.5% with an increase in the substrate temperature. In the analysis of the electric characteristics, the abnormal increases in the relative dielectric constant and the dielectric loss factor in the regions of low frequency and high temperature are known to be caused by inclusion of impurity carriers in the PVDF organic thin films. In order to analyze quantitatively the abnormalities in the conductivity mechanism caused by ionic impurities, the product of the ion density and the mobility that affect the electrical property in polymeric insulators is analyzed. In the case of a specimen produced by varying the substrate temperature from $30^{\circ}C$ to $105^{\circ}C$, the product of mobility and the ion density decreased from $4.626{\times}10^8$ to $8.47{\times}10^7/V{\cdot}cm{\cdot}s$. This result suggests that the higher the substrate temperature is maintained, the better excluded the impurities are, and the more electrically stable material can be obtained.