• Title/Summary/Keyword: Crystal structure analysis

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Variation of Carbonization Pattern and Crystal Structure of Polyvinyl Chloride Wire Under the Thermal Stresses (열 스트레스에 의한 비닐절연전선의 탄화 패턴 및 결정 구조의 변화)

  • Choi, Chung-Seog;Kim, Hyang-Kon
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.57 no.3
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    • pp.332-337
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    • 2008
  • We analyzed carbonization pattern and crystal structure of polyvinyl chloride wire by thermal stress. Copper that is oxidized at normal temperature is a reddish brown. If under the thermal stress range of 500 to 700 [$^{\circ}C$], carbonization and exfoliation occurrence. Section structure of electric wire is same as arrangement of particle in metallograph analysis. But, as thermal stress increases, size of particle is enlarged. Electric wire displays elongation structure in SEM image analysis and elongation structure collapses when receive thermal stress at 300 [$^{\circ}C$]. In EDX analysis, we get the spectra of CuL, CuK, OK, and ClK. FT-IR analysis was shown new spectra with in range of $1,440{\sim}1,430\;[cm^{-1}]$, 1,340 [$cm^{-1}$], 1,240 [$cm^{-1}$].

Structure Analysis of Liquid Crystal Emulsions Using X-ray Scattering Analysis (X선 산란분석법을 이용한 액정에멀젼 구조분석)

  • Park, So Hyun;Kim, Su Ji;Noh, Min Joo;Lee, Jun Bae;Park, Soo Nam
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.42 no.3
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    • pp.297-302
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    • 2016
  • In this study, we prepared liquid crystal emulsions composed of $C_{12-20}$ alkyl glucoside, $C_{14-22}$ alcohol, and behenyl alcohol and performed structure analysis using various analytical equipment. First, as an important characteristic of liquid crystal emulsions, maltese cross patterns and multi-layer structure were observed by a polarized microscope and cryo-SEM. Also, formation of liquid crystal phase was confirmed by DSC and multi-layer lamellar structure having an interlayer spacing approximately $305{\AA}$ was confirmed by small angle x-ray scattering (SAXS). The alkyl chain arrangement formed orthorhombic structure of a lamellar structure of the liquid crystal emulsion was confirmed by wide angle x-ray scattering (WAXS). These results suggest that information on the various physical properties obtained through the research of liquid crystal emulsion structure is expected to be widely used in cosmetics development in the future.

Synthesis and structure analysis of the bis(dicyclohexylammonium) chromate dihydrate complex, [(C6H11)2NH2]2[CrO4]·2H2O

  • Kim, Chong-Hyeak;Moon, Hyoung-Sil;Lee, Sueg-Geun
    • Analytical Science and Technology
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    • v.20 no.5
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    • pp.448-451
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    • 2007
  • A new bis(dicyclohexylammonium) chromate dihydrate complex, $[(C_6H_{11})_2NH_2]_2[CrO_4]{\cdot}2H_2O$, (I), has been synthesized and its structure analyzed by FT-IR, EDS, elemental analysis, ICP-AES, and single crystal X-ray diffraction methods. The Cr(VI) complex (I) is tetragonal system, I${\bar{4}}$2d space group with a = 12.5196(1), b = 12.5196(1), c = $17.3796(3){\AA}$, a = ${\beta}$ = ${\gamma}$ = $90^{\circ}$, V = $2724.09(6){\AA}^3$, Z = 4. The crystal structure of complex (I) consists of tetrahedral chromate $[CrO_4]^{2-}$ anion, two organic dicyclohexylammonium $[(C_6H_{11})_2NH_2]^+$ cations and two lattice water molecules. The chromate anion and protonated dicyclohexylammonium cation is mainly constructed through the ionic bond. The cyclohexylammonium rings of the dicyclohexylammonium cation take the chair form and vertical configuration with each other. The N-H${\cdot}$O and O-H${\cdot}$O hydrogen bond networks between the $N_{dicyclohexylammonium}$, $O_{water}$ and $O_{chromate}$ atom lead to self-assembled molecular conformation and stabilize the crystal structure.

The Crystal Structure of L-Leucine Dehydrogenase from Pseudomonas aeruginosa

  • Kim, Seheon;Koh, Seri;Kang, Wonchull;Yang, Jin Kuk
    • Molecules and Cells
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    • v.45 no.7
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    • pp.495-501
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    • 2022
  • Leucine dehydrogenase (LDH, EC 1.4.1.9) catalyzes the reversible deamination of branched-chain L-amino acids to their corresponding keto acids using NAD+ as a cofactor. LDH generally adopts an octameric structure with D4 symmetry, generating a molecular mass of approximately 400 kDa. Here, the crystal structure of the LDH from Pseudomonas aeruginosa (Pa-LDH) was determined at 2.5 Å resolution. Interestingly, the crystal structure shows that the enzyme exists as a dimer with C2 symmetry in a crystal lattice. The dimeric structure was also observed in solution using multiangle light scattering coupled with size-exclusion chromatography. The enzyme assay revealed that the specific activity was maximal at 60℃ and pH 8.5. The kinetic parameters for three different amino acid and the cofactor (NAD+) were determined. The crystal structure represents that the subunit has more compact structure than homologs' structure. In addition, the crystal structure along with sequence alignments indicates a set of non-conserved arginine residues which are important in stability. Subsequent mutation analysis for those residues revealed that the enzyme activity reduced to one third of the wild type. These results provide structural and biochemical insights for its future studies on its application for industrial purposes.

EFFECT OF METAL CONTACT ON THE CZT DETECTOR PERFORMANCE

  • Park, Se-Hwan;Park, Hyung-Sik;Lee, Jae-Hyung;Kin, Han-Soo;Ha, Jang-Ho
    • Journal of Radiation Protection and Research
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    • v.34 no.2
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    • pp.65-68
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    • 2009
  • Metal-semiconductor contact is very important for the operating property of semiconductor detector. $Cd_{0.96}$ $Zn_{0.04}$ Te semiconductor crystal was grown with Bridgman method, and the crystal was cut and polished. EPMA (Electron Probe Micro Analyzer) and ICP-MS (Inductively Coupled Plasma Mass Spectrometry) analysis were done to obtain the chemical composition and impurity of the crystal. Metal contact was deposited with thermal evaporator on both sides of the crystal. Detectors with Au/CZT/Au and In/CZT/Au structure were made, and I-V curve and the energy spectrum were measured with the detectors. It could be seen that the detector with the In/CZT/Au structure has superior property than the detector with Au/CZT/Au structure when the crystal resistivity was low. However, the metal contact structure effect becomes low when the crystal resistivity was high.

Crystal Structure and Characterization of a New Eight Coordinated Cadmium Complex

  • Hakimi, Mohammad;Moeini, Keyvan;Mardani, Zahra;Khorrami, Farzaneh
    • Journal of the Korean Chemical Society
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    • v.57 no.3
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    • pp.352-356
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    • 2013
  • In this work, a new cadmium complex $[Cd(L)(CH_3COO)_2].2H_2O$ (1) with the ligand L, N,N'-bis(2-pyridinecarboxalidene)-1,2-cyclohexanediamine was prepared and identified by elemental analysis, FT-IR, Raman, $^1H$ NMR spectroscopy and single-crystal X-ray diffraction. The cadmium atom in the crystal structure of 1 has distorted triangular dodecahedral geometry by coordination of the four nitrogen atoms of L and four oxygen atoms of the two acetate ions. Two water molecules are also incorporated in the crystal network. The $O-H{\cdots}O$ hydrogen bonds present in the crystal structure of 1. In this work, three structural surveys including coordination numbers of the cadmium atom, coordination modes of L and resonance in pyridine-2-ylmethanimine-based compounds are presented.

X-ray Crystal Structure of Hetaryl Leuco-TAM Dyes, (2Z,2'E)-2,2'-(2-Phenyl Propane-1,3-diylidene) Bis(1,3,3-trimethyl indoline) Derivatives

  • Keum, Sam-Rok;Roh, Se-Jung;Kim, Young-Nan;Im, Do-Hyuck;Ma, So-Young
    • Bulletin of the Korean Chemical Society
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    • v.30 no.11
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    • pp.2608-2612
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    • 2009
  • The unequivocal solid-state structure and stereochemistry of the hetaryl leuco-TAM dye, 2,2’-(2-phenyl propane- 1,3-diylidene) bis(1,3,3- trimethylindoline) derivatives were established using X-ray single crystal analysis. The X-ray crystal analysis showed that the (Z, E)-isomers only formed stereoselectively, with a so-called “threebladed propeller” conformation, from the reaction of a Fischer base and benzaldehyde derivatives. These isomers were stacked in a juxtaposition to form a dimer or a double dimer, adopting either a triclinic, with P-1, or monoclinic crystal system with a space group P21/n in the unit cell of the crystal.

Dialytic pH Condition for Obtaining Silk I Type Structure (Silk I형 결정을 얻기 위한 투석의 pH조건)

  • ;小西 孝
    • Journal of Sericultural and Entomological Science
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    • v.39 no.1
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    • pp.67-72
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    • 1997
  • As a condition for obtaining the silk I type crystal that has stability and high reproducibility, after dissolving silk fibroin crystalline part (Fcp), the changes of recrystallized crystal structure according to dialytic pH were examined by x-ray diffraction and differential thermal analysis. The Fcp was obtained from the aqueous solution of silk fibroin enzymatic proteolyzed by chymotrypsin. The crystal structure of Fcp showed silk II type. When the Fcp was dissolved by 10M LiBr aqueous solution, the Fcp1 showed the silk II type at pH 9. However, besides the silk II type, the silk I type structure begins to appear at pH 8 and only the silk I type structure was found below pH 6. On the other hand, the Fcp2 that calcium chloride was used in the dissolution found only the silk I type crystal structure below pH8.

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Crystal Structure Analysis of 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile

  • Malathy, P.;Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • Journal of Integrative Natural Science
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    • v.8 no.4
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    • pp.250-257
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    • 2015
  • The crystal structure of the potential active 3-(4-ethylphenyl)-3H-chromeno[4,3-c]isoxazole-3a(4H)-carbonitrile ($C_{19}H_{16}N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P2_1/c$ with unit cell dimension a=6.6869 (8) ${\AA}$, b=15.8326 (19) ${\AA}$ and c= 15.237 (2) ${\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=100.663^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...N and C-H...O hydrogen bond interaction.

Crystal Structure Analysis of Methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

  • Ganapathy, Jagadeesan;Srinivasan, J.;Manickam, Bakthadoss
    • Journal of Integrative Natural Science
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    • v.8 no.3
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    • pp.184-191
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    • 2015
  • The crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}NO_4$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the orthorombic space group $P2_12_12_1$ with unit cell dimension $a=9.8320(17){\AA}$, $b=9.9890(18){\AA}$ and $c=15.588(3){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=90^{\circ}$ and ${\gamma}=90^{\circ}$]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometrical parameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized by intermolecular C-H...O and C-H...N hydrogen bond interaction.