• Title/Summary/Keyword: crystal-packing effect

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Minimally Complex Problem Set for an Ab initio Protein Structure Prediction Study

  • Kim RyangGug;Choi Cha-Yong
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.9 no.5
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    • pp.414-418
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    • 2004
  • A 'minimally complex problem set' for ab initio protein Structure prediction has been proposed. As well as consisting of non-redundant and crystallographically determined high-resolution protein structures, without disulphide bonds, modified residues, unusual connectivities and heteromolecules, it is more importantly a collection of protein structures. with a high probability of being the same in the crystal form as in solution. To our knowledge, this is the first attempt at this kind of dataset. Considering the lattice constraint in crystals, and the possible flexibility in solution of crystallographically determined protein structures, our dataset is thought to be the safest starting points for an ab initio protein structure prediction study.

Effect of Heat-Treatment on the Optical Properties of Self-Assembled SiO2 Photonic Crystals (자기조립을 통해 형성된 실리카 광자결정의 광특성에 미치는 열처리 효과)

  • O, Yong-Taeg;Kim, Myung-Soon;Shin, Dong-Chan
    • Journal of the Korean Ceramic Society
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    • v.42 no.2 s.273
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    • pp.127-131
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    • 2005
  • We examined the effect of low temperature heat-treatment on the optical properties of the photonic crystals self-assembled using a monodispersed spherical $SiO_2$ nanoparticle. When the heat treatment temperature increased, the reflectance peak, which is induced by the photonic band gap, moved to a shorter wavelength direction, and the peak intensity of Fabry-Perot fringes also increased. The highest reflectance peak intensity was obtained in the sample heat-treated at $250\~300^{\circ}C$. The heat-treatment reduced the average particle size and the quantity of defects, and increased the packing density of the photonic crystal.

TREATMENT OF FOODWASTE AND POSPHORUS REMOVAL USING STRUVITE CRYSTALLIZATION IN HYBRID ANAEROBIC REACTOR WITH SAC MEDIA

  • Park, In-Chul;Kim, Dong-Su;Kim, Sung-Man;Lee, Jung-Jun
    • Proceedings of the Korean Institute of Resources Recycling Conference
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    • 2001.05b
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    • pp.129-132
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    • 2001
  • The purpose of this research was to understand possibility of foodwaste treatment by hybrid anaerobic reactor(HAR). The Possibility of methane utility and applicability of hybrid reactor system using foodwaste as substrate was investigated. The maximum loading rate and optimized operational conditions were determined. Hybrid anaerobic reactor was filled with packing material 50% of its total volume between the tube and the outer surface. The packing material used was randomly packed open-pore synthesis activated ceramic(SAC) media as support media for microbial attachment, growth, and chemical stability protected bacteria from effect of organic acid accumulation. In this research, although foodwaste has high concentrations C $l^{[-10]}$ and S $O_{4}$$^{2-}$ concentration the possibility of foodwaste anaerobic treatment was when foodwaste is treated by anaerobic digestion, this study focused on the possibility using C $H_4$ gas made under the anaerobic treatment as an alternative energy source. Other objective of this research is to study struvite formation and crystal forms in anaerobic digester. HAR is used to investigate phosphate crystallization without the addition of chemicals.

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Effect of Microstructure on Corrosion Behavior of TiN Hard Coatings Produced by Two Grid-Attached Magnetron Sputtering

  • Kim, Jung Gu;Hwang, Woon Suk
    • Corrosion Science and Technology
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    • v.5 no.1
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    • pp.15-22
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    • 2006
  • The introduction of two-grid inside a conventional process system produces a reactive coating deposition and increases metal ion ratio in the plasma, resulting in denser and smoother films. The corrosion behaviors of TiN coatings were investigated by electrochemical methods, such as potentiodynamic polarization test and electrochemical impedance spectroscopy (EIS) in deaerated 3.5% NaCl solution. Electrochemical tests were used to evaluate the effect of microstructure on the corrosion behavior of TiN coatings exposed to a corrosive environment. The crystal structure of the coatings was examined by X-ray diffractometry (XRD) and the microstructure of the coatings was investigated by scanning electron microscopy (SEM) and transmission electron spectroscopy (TEM). In the potentiodynamic polarization test and EIS measurement, the corrosion current density of TiN deposited by two grid-attached magnetron sputtering was lower than TiN deposited by conventional magnetron type and also presented higher Rct values during 240 h immersion time. It is attributed to the formation of a dense microstructure, which promotes the compactness of coatings and yields lower porosity.

Crystal and Molecular Structure of Methyl 12-(3-bromophenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate

  • Kothandan, Gugan;Ganapathy, Jagadeesan;Damodharan, Kannan;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
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    • v.7 no.2
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    • pp.92-102
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    • 2014
  • The crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a = 28.633(3) ${\AA}$, b= 9.3215(7) ${\AA}$ and c= 24.590(2) ${\AA}$ [alpha & gamma=$90^{\circ}$ beta= $115.976(3)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [119.74 $(2)^{\circ}$] and N1-S1-C5 [$105.57(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($316.2(1)^{\circ}$) indicates that N1 is in sp2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. The carboxylate group of atoms were disordered over two positions with site occupancy factors 0.598 (9):0.402 (9). Crystal structure and packing is stabilized by $C-H{\ldots}O$ intra and inter molecular hydrogen bond interactions.

Effect of Mode of Binding Linkage on Monolayer Assembly of Zeolite

  • Lee, Jin-Seok
    • Bulletin of the Korean Chemical Society
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    • v.33 no.1
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    • pp.248-254
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    • 2012
  • During the monolayer assembly of zeolite microcrystals using sonication with stacking (SS) method, the factors that govern the degree of close packing (DCP) between the microcrystals, the rate of attachment (rA) of microcrystals onto the substrate, the degree of coverage (DOC), and the binding strength (BS) between each crystal and the substrate were investigated for each mode of binding linkage (MBL). The tested MBLs were covalent linkage (CL), ionic linkage (IL), and polyelectrolyte-mediated ionic linkage (p-IL). Unlike the monolayers of zeolite crystals assembled on glass with a covalent linkage, the strong BS, very high DOC, and very high DCP do not decrease during monolayer assembly on glass through ionic linkages. This results indicate that the surface migration of crystals undergo linkage-nondestructively when crystals were attached to the substrates through ionic linkages.

Magnetic Properties of Electrodeposited Iron and Cobalt on Porous Aluminum Oxide Layer (다공성 알루미늄 양극산화 피막에 도금된 철 및 코박트의 자기적 성질)

  • Kim, K. H.;Kang, T.;Sohn, H. J.
    • Journal of Surface Science and Engineering
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    • v.23 no.3
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    • pp.150-159
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    • 1990
  • The magnetic properties of electrodeposited iron and cobalt films on porous aluminum oxide film were examined. There exists perpendicular magnetic anisotropy due to the shape anisotropy. The coercivity and squareness ratio of films were strongly dependent on deposited particle diameter. The effect of packing fraction on squareness ratio was also apprecible. Unlike the iron-deposited films, the magnetic properties of cobalt films were changed by preferred orientation because of it's large crystal ansotropy constant.(about 10 times of Fe) The Fe deposited films were found to be more suitable for perpendicular magenetic recording media bacause perpendicular coercivity, squareness ratio and the ratio of perpendicular coercivity to horizontal ones of iron films are greater than those of cobalt films.

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Dielectric and Electrical Characteristics of Lead-Free Complex Electronic Material: Ba0.8Ca0.2(Ti0.8Zr0.1Ce0.1)O3

  • Sahu, Manisha;Hajra, Sugato;Choudhary, Ram Naresh Prasad
    • Korean Journal of Materials Research
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    • v.29 no.8
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    • pp.469-476
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    • 2019
  • A lead-free bulk ceramic having a chemical formula $Ba_{0.8}Ca_{0.2}(Ti_{0.8}Zr_{0.1}Ce_{0.1})O_3$ (further termed as BCTZCO) is synthesized using mixed oxide route. The structural, dielectric, impedance, and conductivity properties, as well as the modulus of the synthesized sample are discussed in the present work. Analysis of X-ray diffraction data obtained at room temperature reveals the existence of some impurity phases. The natural surface morphology shows close packing of grains with few voids. Attempts have been made to study the (a) effect of microstructures containing grains, grain boundaries, and electrodes on impedance and capacitive characteristics, (b) relationship between properties and crystal structure, and (c) nature of the relaxation mechanism of the prepared samples. The relationship between the structure and physical properties is established. The frequency and temperature dependence of the dielectric properties reveal that this complex system has a high dielectric constant and low tangent loss. An analysis of impedance and related parameters illuminates the contributions of grains. The activation energy is determined for only the high temperature region in the temperature dependent AC conductivity graph. Deviation from the Debye behavior is seen in the Nyquist plot at different temperatures. The relaxation mechanism and the electrical transport properties in the sample are investigated with the help of various spectroscopic (i.e., dielectric, modulus, and impedance) techniques. This lead free sample will serve as a base for device engineering.

Effect of Temperature on the Deposition Rate and Bending Strength Characteristics of Chemical Vapor Deposited Silicon Carbide Using Methyltrichlorosilane (메틸트리클로로실란을 이용한 화학증착 탄화규소의 증착율 및 굽힘강도 특성에 미치는 온도의 영향)

  • Song, Jun-Baek;Im, Hangjoon;Kim, Young-Ju;Jung, Youn-Woong;Ryu, Hee-Beom;Lee, Ju-Ho
    • Composites Research
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    • v.31 no.2
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    • pp.43-50
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    • 2018
  • The effects of deposition temperature on chemical vapor deposited silicon carbide (CVD-SiC) were studied to obtain high deposition rates and excellent bending strength characteristics. Silicon carbide prepared at $1250{\sim}1400^{\circ}C$ using methyltrichlorosilane(MTS : $CH_3SiCl_3$) by hot-wall CVD showed deposition rates of $95.7{\sim}117.2{\mu}m/hr$. The rate-limiting reaction showed the surface reaction at less than $1300^{\circ}C$, and the mass transfer dominant region at higher temperature. The activation energies calculated by Arrhenius plot were 11.26 kcal/mole and 4.47 kcal/mole, respectively. The surface morphology by the deposition temperature changed from $1250^{\circ}C$ pebble to $1300^{\circ}C$ facet structure and multi-facet structure at above $1350^{\circ}C$. The cross sectional microstructures were columnar at below $1300^{\circ}C$ and isometric at above $1350^{\circ}C$. The crystal phases were all identified as ${\beta}$-SiC, but (220) peak was observed from $1300^{\circ}C$ or higher at $1250^{\circ}C$ (111) and completely changed to (220) at $1400^{\circ}C$. The bending strength showed the maximum value at $1350^{\circ}C$ as densification increased at high temperatures and the microstructure changed from columnar to isometric. On the other hand, at $1400^{\circ}C$, the increasing of grain size and the direction of crystal growth were completely changed from (111) to (220), which is the closest packing face, so the bending strength value seems to have decreased.