• Title/Summary/Keyword: Crystal structure analysis

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Structural and Physicochemical Studies on DA-5018, a New Capsaicin Derivative (새로운 Capsaicin 유도체 DA-5018의 구조 및 물리화학적 성질 연구)

  • Kim, Heung-Jae;Lee, Jong-Jin;Lee, Eung-Doo;Shim, Hyun-Joo;Lee, Sang-Deuk;Ok, Kwang-Dae;Kim, Won-Bae;Park, No-Sang
    • Journal of Pharmaceutical Investigation
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    • v.27 no.2
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    • pp.119-123
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    • 1997
  • The physicochemical and structural properties of new capsaicin derivative, DA-5018, were examined. The reference standard of this compound was obtained by the recrystallization. A method for the determination of the dissociation constant of the compound is described. pH-solubility and distribution coefficient were determined by chromatographic method. Fundamental properties on thermal behaviors were investigated by TG, DTA and DSC. Structural analysis based on spectroscopic method coincided with the chemical structure of DA-5018. Approximate dissociation constant of the compound determined by UV spectral method was 9.35. Solubilities and partition coefficients in various pH buffer solution appeared pH-dependency. No crystal transition or further transition was found in the thermal analysis. This compound showed good stability, but pH 13 buffer and acetone made some degradative products.

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Optimization of MOF-235 Synthesis by Analysis of Statistical Design of Experiment (통계학적 실험계획법 해석을 통한 MOF-235 합성 최적화)

  • Chung, Mingee;Yoo, Kye Sang
    • Applied Chemistry for Engineering
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    • v.30 no.5
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    • pp.615-619
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    • 2019
  • Statistical design of experiments was performed to optimize MOF-235 synthesis process. Concentrations of terephthalic acid (TPA), iron (III) chloride hexahydrate, N,N-dimethylformamide (DMF) and ethanol were important factors to develop the crystal structure of MOF-235. MOF-235 was synthesized with various concentrations of the listed chemicals above and the crystallinity was measured by XRD. The effect of the composition on the synthesis of MOF-235 was evaluated using a statistical analysis. For the variance analysis using F-test, the concentration of ethanol showed the greatest effect on the crystallinity and TPA the least influential. A regression model for predicting the crystallinity of MOF-235 was derived and the prediction results for two synthetic variables were presented using contour plots. Finally, the crystallinity was predicted by a mixture method with $FeCl_3$, ethanol and DMF.

Comparative Analysis of Commercial Al2O3 Powders and the Dispersion Characteristics of Slurries Produced Using Them (상용 Al2O3 분말의 비교분석 및 이를 이용하여 제조한 슬러리의 분산 특성)

  • Mo-Se Kwon;Seung-Joon Yoo;Jin-Ho Kim;Kyoung-Hoon Jeong;Jong-Keun Lee;Ung-Soo Kim
    • Korean Journal of Materials Research
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    • v.34 no.1
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    • pp.27-33
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    • 2024
  • Al2O3 has excellent sintering properties and is important in semiconductor manufacturing processes that require high-temperature resistance and chemical inertness in a plasma environment. In this study, a comprehensive analysis of the chemical characteristics, physical properties, crystal structure, and dispersion stability of three commercially available Al2O3 powders was conducted. The aim was to provide a technological foundation for selecting and utilizing appropriate Al2O3 powders in practical applications. All powders exhibited α-Al2O3 as the main phase, with the presence of beta-phase Na2O-11Al2O3 as the secondary phase. The highest Na+ ion leaching was observed in the aqueous slurry state due to the presence of the secondary phase. Although the average particle size difference among the three powders was not significant, distinct differences in particle size distribution were observed. ALG-1SH showed a broad particle size distribution, P162 exhibited a bimodal distribution, and AES-11 displayed a uniform unimodal distribution. High-concentration Al2O3 slurries showed differences in viscosity due to ion release when no dispersant was added, affecting the electrical double-layer thickness. Polycarboxylate was found to effectively enhance the dispersion stability of all three powders. In the dispersion stability analysis, ALG-1SH exhibited the slowest sedimentation tendency, as evidenced by the low TSI value, while P162 showed faster precipitation, influenced by the particle size distribution.

Phase Transitions of $LiMn_2O_4$ on $CO_2$ Decomposition (($CO_2$ 분해시 $LiMn_2O_4$의 상변화)

  • Kwoen, Tae-Hwan;Yang, Chun-Mo;Park, Young-Goo;Cho, Young-Koo;Rim, Byung-O
    • Journal of the Korean Applied Science and Technology
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    • v.20 no.1
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    • pp.33-43
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    • 2003
  • $LiMn_2O_4$ catalyst for $CO_2$ decomposition was synthesized by oxidation method for 30 min at 600$^{\circ}C$ in an electric furnace under air condition using manganese(II) nitrate $(Mn(NO_3)_2{\cdot}6H_2O)$, Lithium nitrate ($LiNO_3$) and Urea $(CO(NH_2)_2)$. The synthesized catalyst was reduced by $H_2$ at various temperatures for 3 hr. The reduction degree of the reduced catalysts were measured using the TGA. And then $CO_2$ decomposition rate was measured using the reduced catalysts. Phase-transitions of the catalysts were observed after $CO_2$ decomposition reaction at an optimal decomposition temperature. As the result of X-ray powder diffraction analysis, the synthesized catalyst was confirmed that the catalyst has the spinel structure, and also confirmed that when it was reduced by $H_2$, the phase of $LiMn_2O_4$ catalyst was transformed into $Li_2MnO_3$ and $Li_{1-2{\delta}}Mn_{2-{\delta}}O_{4-3{\delta}-{\delta}'}$ of tetragonal spinel phase. After $CO_2$ decomposition reaction, it was confirmed that the peak of $LiMn_2O_4$ of spinel phase. The optimal reduction temperature of the catalyst with $H_2$ was confirmed to be 450$^{\circ}C$(maximum weight-increasing ratio 9.47%) in the case of $LiMn_2O_4$ through the TGA analysis. Decomposition rate(%) using the $LiMn_2O_4$ catalyst showed the 67%. The crystal structure of the synthesized $LiMn_2O_4$ observed with a scanning electron microscope(SEM) shows cubic form. After reduction, $LiMn_2O_4$ catalyst became condensed each other to form interface. It was confirmed that after $CO_2$ decomposition, crystal structure of $LiMn_2O_4$ catalyst showed that its particle grew up more than that of reduction. Phase-transition by reduction and $CO_2$ decomposition ; $Li_2MnO_3$ and $Li_{1-2{\delta}}Mn_{2-{\delta}}O_{4-3{\delta}-{\delta}'}$ of tetragonal spinel phase at the first time of $CO_2$ decomposition appear like the same as the above contents. Phase-transition at $2{\sim}5$ time ; $Li_2MnO_3$ and $Li_{1-2{\delta}}Mn_{2-{\delta}}O_{4-3{\delta}-{\delta}'}$ of tetragonal spinel phase by reduction and $LiMn_2O_4$ of spinel phase after $CO_2$ decomposition appear like the same as the first time case. The result of the TGA analysis by catalyst reduction ; The first time, weight of reduced catalyst increased by 9.47%, for 2${\sim}$5 times, weight of reduced catalyst increased by average 2.3% But, in any time, there is little difference in the decomposition ratio of $CO_2$. That is to say, at the first time, it showed 67% in $CO_2$ decomposition rate and after 5 times reaction of $CO_2$ decomposition, it showed 67% nearly the same as the first time.

Development of Black Pigment Using Seokganju of Mountain Gyeryong (계룡산 석간주를 사용한 흑색 안료 개발)

  • Lim, Seong-Ho;Kim, Gumsun;Park, Joo-Seok;Lee, Byung-Ha
    • Korean Journal of Materials Research
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    • v.23 no.4
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    • pp.233-239
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    • 2013
  • We collected Seokganju minerals (regions in Gyeryong Mountain, Sangsin-ri, Banpo-myeon, Gongju Chungcheongnam-province), which were used as natural color pigments for grayish-blue during the 15th~16th centuries of the Joseon era, and investigated their crystallographic features to develop a black pigment having a spinel structure. By a Raman analysis, the color of Seokganju under transparent glaze as a pigment for painting was black because hematite ($Fe_2O_3$) in Seokganju was converted to magnetite ($Fe_3O_4$) However, Seokganju into the transparent glaze as a pigment was brown because of hematite ($Fe_2O_3$) and small amounts of maghemite (${\gamma}-Fe_2O_3$) in Seokganju minerals. Only Seokganju mineral is used, it is not suitable for black pigment into the transparent glaze. This study tried to develop a spinel crystal black pigment stabilized by Seokganju with CoO, $Cr_2O_3$, NiO, and $MnO_2$ at $1280^{\circ}C$. A Raman spectroscopy analysis was performed to verify the presence of Mn The results showed that it existed as spinel, and two crystal phases $CoFe_2O_4$ and $MnFe_2O_4$ were mixed. $CoFe_2O_4$ spinel has a dark grayish black color and $MnFe_2O_4$ spinel has a greenish black color, and these two appeared as black. The color of a specimen calcined by adding 6 wt% of pigment mixed with 5 wt% of $MnO_2$ added to lime glaze was analyzed with a UV spectrophotometer. When applying the color pigment, it appeared black stabilized with $L^*$24.23, $a^*$ 0.12, $b^*$ -2.29 at $1260^{\circ}C$ oxidative calcination, With $1240^{\circ}C$ reduction firing, it is appeared black stabilized with low brightness of $L^*$ 23.13, $a^*$ -1.12, $b^*$ 0.54.

Self-Assembly of Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH4)(C2H10N2)5.5[Cu(C2H8N2)2]3[V2P2BO12]6·17H2O and (NH4)(C2H10N2)3.5[Cu(C2H8N2)2]5[V2P2BO12]6·18H2O

  • Jung, Kyung-Na;Cho, Yoon-Suk;Yun, Ho-Seop;Do, Jung-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.26 no.8
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    • pp.1185-1189
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    • 2005
  • Two new copper vanadium borophosphate compounds, $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O,\;Cu-VBPO1\;and\;(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, Cu-VBPO2 have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, thermogravimetric analysis, IR spectroscopy, and elemental analysis. The structure of Cu-VBPO1 contains a layer anion, {$[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6$}$^{12-}$, whereas Cu-VBPO2 has an open framework anion, {$[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6$}$^{8-}$. Crystal Data: $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O$, monoclinic, space group I2/m (no. 12), $\alpha$ = 15.809(1) $\AA$, b = 31.107(2) $\AA$, c = 12.9343(8) $\AA$, $\beta$ = 104.325(1)$^{\circ}$, Z = 2; $(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, tetragonal, space group $P4_2$/mnm (no.136), $\alpha$ = 26.832(1) $\AA$, c = 18.021(1) $\AA$, Z = 4.

Identification and confirmation of 14-3-3 ζ as a novel target of ginsenosides in brain tissues

  • Chen, Feiyan;Chen, Lin;Liang, Weifeng;Zhang, Zhengguang;Li, Jiao;Zheng, Wan;Zhu, Zhu;Zhu, Jiapeng;Zhao, Yunan
    • Journal of Ginseng Research
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    • v.45 no.4
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    • pp.465-472
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    • 2021
  • Background: Ginseng can help regulate brain excitability, promote learning and memory, and resist cerebral ischemia in the central nervous system. Ginsenosides are the major effective compounds of Ginseng, but their protein targets in the brain have not been determined. Methods: We screened proteins that interact with the main components of ginseng (ginsenosides) by affinity chromatography and identified the 14-3-3 ζ protein as a potential target of ginsenosides in brain tissues. Results: Biolayer interferometry (BLI) analysis showed that 20(S)-protopanaxadiol (PPD), a ginseng saponin metabolite, exhibited the highest direct interaction to the 14-3-3 ζ protein. Subsequently, BLI kinetics analysis and isothermal titration calorimetry (ITC) assay showed that PPD specifically bound to the 14-3-3 ζ protein. The cocrystal structure of the 14-3-3 ζ protein-PPD complex showed that the main interactions occurred between the residues R56, R127, and Y128 of the 14-3-3 ζ protein and a portion of PPD. Moreover, mutating any of the above residues resulted in a significant decrease of affinity between PPD and the 14-3-3 ζ protein. Conclusion: Our results indicate the 14-3-3 ζ protein is the target of PPD, a ginsenoside metabolite. Crystallographic and mutagenesis studies suggest a direct interaction between PPD and the 14-3-3 ζ protein. This finding can help in the development of small-molecular compounds that bind to the 14-3-3 ζ protein on the basis of the structure of dammarane-type triterpenoid.

Identification and characterization of the phytocystatin family from Brassica rapa

  • Hong, Joon-Ki;Hwang, Jung-Eun;Park, Tae-Ho;Zang, Yun-Xiang;Lee, Sang-Choon;Kwon, Soo-Jin;Mun, Jeong-Hwan;Kim, Hyun-Uk;Kim, Jin-A;Jin, Mi-Na;Kim, Jung-Sun;Lee, Soo-In;Lim, Myung-Ho
    • Journal of Plant Biotechnology
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    • v.35 no.4
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    • pp.317-327
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    • 2008
  • Phytocystatins, which are inhibitors of plant cysteine peptidases, are involved in the regulation of protein turnover and in the defense against insect pests and pathogens. Extensive searches in the Brassica rapa genome allowed the prediction of at least eight different phytocystatin genes on seven chromosomes in the B. rapa genome. Structure comparisons based on alignments of the all BrCYS ($\underline{B}$. $\underline{r}apa$ $phyto{\underline{cys}}tatin$) proteins using the CLUSTALW program revealed conservation of the three consensus motifs known to interact with the active site of cysteine peptidases. According to the phylogenetic analysis based on the deduced amino acid sequences, the eight BrCYS proteins were divided into several clusters related to the orthologous phytocystatin. The predicted three-dimensional structure models of the eight BrCYS proteins demonstrate that all of these proteins are similar to the reported crystal structure of oryzacystatin-I (OC-I). Digital northern and RT-PCR analyses indicated that the eight BrCYS genes exhibit different expression patterns in B. rapa tissues and respond differently to abiotic stimuli. The differences in gene structure and expression between the eight BrCYS genes suggest that these proteins may play diverse physiological roles in B. rapa and may interact with cysteine peptidases through different mechanisms.

The Analysis of the Discharging Characteristics and MgO protective layer by MgO Evaporation Rates for High-Efficiency PDP (MgO 증착률에 따른 PDP 보호막 물성 및 방전 특성 분석)

  • Kim, Yong-Jae;Kwon, Sang-Jik
    • Journal of the Korean Vacuum Society
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    • v.16 no.3
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    • pp.181-186
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    • 2007
  • We have investigated and analyzed the effects of the evaporation rate of MgO films on the MgO properties and the discharge characteristics of a plasma display panel(PDP). The MgO properties such as the crystal orientation, the surface roughness, the film structure, and cathode-luminescence (CL) spectra were inspected using XRD (X-ray diffraction), AFM(atomic force microscopy). And the discharging characteristics of the PDP such as the firing voltage, discharging current, and luminescence were measured using a vacuum chamber with oscilloscope (TDS 540C), current probe (TCP-312A), color meter (CS-100A) and etc. From the experiments results we confirmed the optimum evaporation rate at $5{\AA}/sec$, the MgO properties were shown to be strongly dependent on the evaporation rate, and the MgO properties had an effecton the optical and electrical characteristics. In other words, if the evaporation rates increase than $5{\AA}/sec$, the intensity of (200) orientation and cathode-luminescence (CL) spectra reduce, and the firing vlotage was increased. So the luminuous efficiency grows worse.

Modeling and Analysis of Fine Particle Behavior in Ar Plasma (모델링을 통한 Ar 플라즈마 중의 미립자 운동에 관한 연구)

  • 임장섭;소순열
    • Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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    • v.18 no.1
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    • pp.52-59
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    • 2004
  • Recently, many researches for fine particles plasma have been focused on the fabrication of the new devices and materials in micro-electronic industry, although reduction or elimination of fine particles was interested in plasma processing until now on. In order to enhance their utilization, it is necessary to control and analyze fine particle behavior. Therefore, we developed simulation model of fine particles in RF Ar plasmas. This model consists of the calculation parts of plasma structure using a two-dimensional fluid model and of fine particle behavior. The motion of fine particles was derived from the charge amount on the fine particles and forces applied to them. In this paper, Ar plasma properties using two-dimensional fluid model without fine particles were calculated at power source voltage 15[V] and pressure 0.5[Torr]. Time-averaged spatial distributions of Ar plasma were shown. The process on the formation of Coulomb crystal of fine particles was investigated and it was explained by combination of ion drag and electrostatic forces. And also analysis on the forces of fine particles was presented.