• Title/Summary/Keyword: Chemical structure analysis

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Design of Natural Fiber Composites Chemical Container Using Resin Flow Simulation of VARTML Process

  • Lee, Haseung;Park, Gwanglim;Kong, Changduk;Park, Hyunbum
    • International Journal of Aerospace System Engineering
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    • v.1 no.1
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    • pp.21-28
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    • 2014
  • In this study, an investigation on mechanical properties of flax natural fiber composite is performed as a precedent study on the design of eco-friendly structure using flax natural fiber composite. The Vacuum Assisted Resin Transfer Molding-Light (VARTML) manufacturing method is adopted for manufacturing the flax fiber composite panel. The VARTML is a manufacturing process that the resin is injected into the dry layered -up fibers enclosed by a rigid mold tool under vacuum. In this work, the resin flow analysis of VARTM manufacturing method is performed. A series of flax composite panels are manufactured, and several kinds of specimens cut out from the panels are tested to obtain mechanical performance data. Based on this, structural design of chemical storage tank for agricultural vehicle was performed using flax/vinyl ester. After structural design and analysis, the resin flow analysis of VARTM manufacturing method was performed.

3D-QSAR Analysis and Molecular Docking of Thiosemicarbazone Analogues as a Potent Tyrosinase Inhibitor

  • Park, Joon-Ho;Sung, Nack-Do
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1241-1248
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    • 2011
  • Three dimensional quantitative structure-activity relationships (3D-QSARs) between new thiosemicarbazone analogues (1-31) as a substrate molecule and their inhibitory activity against tyrosinase as a receptor were performed and discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods. According to the optimized CoMSIA 2 model obtained from the above procedure, inhibitory activities were mainly dependent upon H-bond acceptor favored field (36.5%) of substrate molecules. The optimized CoMSIA 2 model, with the sensitivity of the perturbation and the prediction, produced by a progressive scrambling analysis was not dependent on chance correlation. From molecular docking studies, it is supposed that the inhibitory activation of the substrate molecules against tyrosinase (PDB code: 1WX2) would not take place via uncompetitive inhibition forming a chelate between copper atoms in the active site of tyrosinase and thiosemicarbazone moieties of the substrate molecules, but via competitive inhibition based on H-bonding.

Synthesis of Benzoic Acid Modified Polyester Containing Phosphorus for Flame-Retardant Coatings (난연도료용 인 함유 벤조산 변성폴리에스테르의 합성)

  • Chung, Dong-Jin;Lee, Ae-Ri;You, Hyuk-Jae;Jung, Choong-Ho;Park, Hong-Soo
    • Journal of the Korean Applied Science and Technology
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    • v.21 no.1
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    • pp.51-61
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    • 2004
  • Reaction intermediates PCP/BZA (PBI) and tetramethylene bis(orthophosphate) (TBOP) wer synthesized from polycaprolactone (PCP) and benzoic acid (BZA) and from pyrophosphoric acid and 1,4-butanediol, respectively. Benzoic acid modified polyesters containing phosphorus (APTB-5, -10, -15) were synthesized by polycondensation of the prepared PBI (containing 5, 10, 15wt% of benzoic acid), TBOP, adipic acid, and 1,4-butanediol. The structure and characteristics of APTBs were examined using FT-IR, NMR, GPC, and TGA analysis. The increase of the amount of BZA in the synthesis of APTBs resulted in decrease in average molecular weight and kinematic viscosity. From the TGA analysis of APTBs, it was found that the afterglow decreased with the amount of BZA content at the high temperatures.

A New Adamantane-like Tetranuclear Manganese(III) Complex Based on Flexible Schiff-base Ligand: Synthesis, Crystal Structure and Magnetic Property

  • Zhang, Ran;Ni, Zhong-Hai;Zhang, Li-Fang;Kou, Hui-Zhong
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.1965-1969
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    • 2014
  • A new tetranuclear Mn(III) complex $[Mn^{III}{_4}(sae)_4({\mu}_3-O)({\mu}_{1,1}-N_3)(OH)(H_2O)_2]{\cdot}H_2O$ (1) ($H_2sae$ = 2-salicylideneamino-1-ethanol) has been synthesized by the reaction of $MnCl_2{\cdot}4H_2O$, $H_2sae$ and sodium azide in the mixed solvent of methanol, acetonitrile and water. The X-ray diffraction analysis shows that the four Mn(III) ions in complex 1 have a unique adamantine arrangement, whereas the coordination environment of each Mn(III) ions is different. Magnetic studies indicate that complex 1 manifests antiferromagnetic behaviors. The magnetic susceptibilities of complex 1 have been fitted by two magnetic models based on the suitable analysis of its magnetic structural topology.

Analysis of the Chemical Constituents of Agaricus brasiliensis

  • Cho, Soo-Muk;Jang, Kab-Yeul;Park, Hong-Ju;Park, Jeong-Sik
    • Mycobiology
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    • v.36 no.1
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    • pp.50-54
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    • 2008
  • This study examined the chemical composition of A. blasiliensis and the chemical structural properties of an immuno-stimulating polysaccharide. The amino acids, free sugars, and organic acids by HPLC and fatty acids by GC were analyzed. The immuno-stimulating substance from A. blasiliensis was extracted with hot water and purified by ethanol precipitation. It underwent ion exchange chromatography on DEAE-cellulose and gel filtration on Toyopearl HW 65F. Through GP-HPLC, the substance was found to be homogeneous. Its chemical structure was determined by $^{13}C-NMR$. Fatty acids, organic acids, and sugar alcohol composition consisted exclusively of linoleic acid, fumaric acid and mannitol, respectively. The amino acids were mainly glutamic acid, glycine, and arginine. By $^{13}C-NMR$ analysis, the immuno-stimulating substance was identified as ${\beta}-(1{\rightarrow}3)\;(1{\rightarrow}6)$-glucan, composed of a backbone with $(1{\rightarrow}3)$-linked D-glucopyranosyl residues branching a $(1{\rightarrow}6)$-linked D-glucopyranosyl residue. The ${\beta}$-glucan from A. blasiliensis showed pronounced immuno-stimulating activity on the antibody-production ability of B-lymphocytes by the hemolytic suspension assay. In these results, A. blasiliensis was estimated to have potent pharmacological properties and potential nutritional values.

Extinguishing Characteristics of Zeolite adsorbed Dry Chemical Powder (분말 소화약제가 흡착된 제올라이트의 소화 특성)

  • Shin, Changsub;Park, Hojun
    • Journal of the Korean Society of Safety
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    • v.27 no.6
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    • pp.59-63
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    • 2012
  • The use of dry chemical powder has been increased as it can be stored for a long period and sustain in stable condition compared to gas or liquid phase extinguishing agents. A new type of dry chemical powder using Zeolite was produced in the research. Chemical powder was adsorbed into Zeolite 13X, a porous material appearing negative catalytic effect, to create extinguishing powder obtaining core shell structure and measured physical properties and run a small scale fire extinguishment. SEM, XRD, TA analysis was also executed, and extinguishing characteristics were measured by fire extinguishing experiment on oil pool fire. The experiment showed that the average particle size of Zeolite 13X was equivalent, indicating about $3{\pm}1{\mu}m$ and thermal analysis result illustrated that Zeolite 13X showed exothermic reaction peaks at $900^{\circ}C$ due to solid-state transformation. Extinguishing characteristics on oil fire of $NaHCO_3$/Zeolite 13X and $NH_4H_2PO_4$/Zeolite were improved, influenced by adsorbed extinguishing powders on Zeolite 13X and Zeolite 13X that contains high phase transition temperature.

A Study on the Structural Analysis of Controllability in Chemical Processes (화학 공정의 제어성의 구조적 분석에 관한 연구)

  • Lee Byung Woo;Kim Yoon Sik;Yoon En Sup
    • Journal of the Korean Institute of Gas
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    • v.3 no.1
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    • pp.27-32
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    • 1999
  • Chemical processes are highly nonlinear, multivariable systems and have complex structures. However, the controllability evaluation procedures are complicated, and the required information is very often unknown at the early design stage. Therefore, it is necessary to develop a procedure to evaluate and enhance controllability while designing processes and plants. To evaluate controllability in the design stage, it is most efficient to analyze process structure. Relative order can be used as a measure of 'physical closeness' between input and output variable. Structural controllability analysis using relative order is shown to be effective in a case study of heat exchanger network synthesis.

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Proline Effect on Structure and Activity of Antimicrobial Peptides

  • Suh, Jeong-Yong;Park, Byong-Seok
    • Proceedings of the Korean Biophysical Society Conference
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    • 1998.06a
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    • pp.19-19
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    • 1998
  • Structure and activity of a helical antimicrobial peptide with a central proline (P14) and its alanine derivative (P14A) were investigated by NMR spectroscopy and biological assay. Chemical shift analysis showed that both of the peptides formed curved helix and P14 showed diminished stability near proline due to hindrance of hydrogen bonding by proline.(omitted)

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Backbone 1H, 15N, and 13C Resonance Assignment and Secondary Structure Prediction of HP1298 from Helicobacter pylori

  • Kim, Won-Je;Lim, Jong-Soo;Son, Woo-Sung;Ahn, Hee-Chul;Lee, Bong-Jin
    • Journal of the Korean Magnetic Resonance Society
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    • v.12 no.2
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    • pp.65-73
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    • 2008
  • HP1298 (Swiss-Prot ID ; P65108) is an 72-residue protein from Helicobacter pylori strain 26695. The function of HP1298 was identified as Translation initiation factor IF-l based on sequence homology, and HP1298 is included in IF-l family. Here, we report the sequence-specific backbone resonance assignments of HP1298. About 97% of all the $^{1}HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$, and $^{13}CO$ resonances could be assigned unambiguously. We could predict the secondary structure of HP1298, by analyzing the deviation of the $^{13}C{\alpha}$ and $^{13}C{\beta}$ shemical shifts from their respective random coil values. Secondary structure prediction shows that HP1298 consists of six $\beta$-strands. This study is a prerequisite for determining the solution structure of HP1298 and investigating the structure-function relationship of HP1298. Assigned chemical shift can be used for the study on interaction between HP1298 and other Helicobacter pylori proteins.

Thermal Transport Phenomena in the FET Typed MWCNT Gas Sensor with the 60 μm Electrode Distance (60 μm의 전극 간극을 갖는 FET식 MWCNT 가스센서에서 열 유동 현상)

  • Jang, Kyung-Uk
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.28 no.6
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    • pp.403-407
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    • 2015
  • Generally, MWCNT, with thermal, chemical and electrical superiority, is manufactured with CVD (chemical vapor deposition). Using MWCNT, it is comonly used as gas sensor of MOS-FET structure. In this study, in order to repeatedly detect gases, the author had to effectively eliminate gases absorbed in a MWCNT sensor. So as to eliminate gases absorbed in a MWCNT sensor, the sensor was applied heat of 423[K], and in order to observe how the applied heat was diffused within the sensor, the author interpreted the diffusion process of heat, using COMSOL interpretation program. In order to interpret the diffusion process of heat, the author progressed modeling with the structure of MWCNT gas sensor in 2-dimension, and defining heat transfer velocity($u={\Delta}T/{\Delta}x$), accorded to governing equation within the sensor, the author proposed heat transfer mechanism.