• Title/Summary/Keyword: Chemical structure analysis

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Synthesis and Characterization of the Layered Type $(C_nH_{2n+1}NH_3)_2PbCl_4$ System

  • Lee, Su Jong;Kim, Gye Ya;O, Eun Ju;Kim, Gyu Hong;Yeo, Cheol Hyeon
    • Bulletin of the Korean Chemical Society
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    • v.21 no.3
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    • pp.317-320
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    • 2000
  • Layered $K_2NiF_4$type ($C_nH_{2n+1}NH_3)_2PbCl_4$(n=6, 8 and 10) system, or alkylammonium tetrachloroplumbate compound, has been synthesized from $PbCl_2$ and $C_nH_{2n+1}NH_3Cl$ solutions under argon ambient pressure for 12hrs at $90^{\circ}C$. The crystal structure of the compound has been analyzed using X-ray powder diffaction in the range of $5^{\circ}{\leq}2{\theta}{\leq}55^{\circ}$, and all samples assigned to an orthorhombic system. Local distances of the Pb-Cl bond have been determined by Pb $L_{III}$-edge extended X-ray absorption fine structure (EXAFS) spectroscopy. The vibration modes of alkylammonium chains and the absorpton peaks of an excition have been examined by FT-IR and UV-Vis. reflectance spectra, respectively. The phase transition temperatures of the compounds have been studied by using DSC. According to the thermal analysis, two phase transition temperatures have been observed in the compositons of n=8 and 10.

Analysis of Thermo-Viscoelastic Residual Stresses and Thermal Buckling of Composite Cylinders (복합재 원통구조물의 열-점탄성적 잔류음력 및 열좌굴 해석)

  • Kim, Cheol;Kim, Yeong-Kook;Choi, Woong
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.26 no.8
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    • pp.1653-1665
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    • 2002
  • One of the most significant problems in the processing of composite materials is residual stresses. The residual stresses may be high enough to cause cracking in the matrix even before external loads are applied and can degrade the integrity of composite structures. In this study, thermo-viscoelastic residual stresses occurred in the polymeric composite cylinder are investigated. This type of structure is used for the launch vehicle fuselage. The time and degree of cure dependent thermo-viscoelastic constitutive equations are developed and coupled with a thermo-chemical process model. These equations are solved with the finite element method to predict the residual stresses in the composite structures during cure. A launch vehicle experiences high thermal loads during flight and re-entry due to aerodynamic heating or propulsion heat, and the thermal loads may cause thermal buckling on the structure. In this study the thermal buckling analysis of composite cylinders are performed. Two boundary conditions such as all clamped and all simply supported are used for the analysis. The effects of laminates stacking sequences, shapes and residual stresses on the critical buckling temperatures of composite cylinders are investigated. The thermal buckling analysis is performed using ABAQUS.

FIB Machining Characteristic Analysis according to $Ga^+$ Ion Beam Current (집속이온빔의 전류변화에 따른 미세가공 특성분석)

  • Kang, Eun-Goo;Choi, Byeong-Yeol;Hong, Won-Pyo;Lee, Seok-Woo;Choi, Hon-Zong
    • Transactions of the Korean Society of Machine Tool Engineers
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    • v.15 no.6
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    • pp.58-63
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    • 2006
  • FIB equipment can perform sputtering and chemical vapor deposition simultaneously. It is very advantageously used to fabricate a micro structure part having 3D shape because the minimum beam size of ${\Phi}10nm$ and smaller is available. Since general FIB uses very short wavelength and extremely high energy, it can directly make a micro structure less than $1{\mu}m$. As a result, FIB has been probability in manufacturing high performance micro devices and high precision micro structures. Until now, FIB has been commonly used as a very powerful tool in the semiconductor industry. It is mainly used for mask repair, device correction, failure analysis, IC error correction, etc. In this paper FIB-Sputtering and FIB-CVD characteristic analysis were carried out according to $Ga^+$ ion beam current that is very important parameter for minimizing the pattern size and maximizing the yield. Also, for FIB-Sputtering burr caused by redeposition of the substrate characteristic analysis was carried out.

Using Harmonic Analysis and Optimization to Study Macromolecular Dynamics

  • Kim Moon-K.;Jang Yun-Ho;Jeong Jay-I.
    • International Journal of Control, Automation, and Systems
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    • v.4 no.3
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    • pp.382-393
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    • 2006
  • Mechanical system dynamics plays an important role in the area of computational structural biology. Elastic network models (ENMs) for macromolecules (e.g., polymers, proteins, and nucleic acids such as DNA and RNA) have been developed to understand the relationship between their structure and biological function. For example. a protein, which is basically a folded polypeptide chain, can be simply modeled as a mass-spring system from the mechanical viewpoint. Since the conformational flexibility of a protein is dominantly subject to its chemical bond interactions (e.g., covalent bonds, salt bridges, and hydrogen bonds), these constraints can be modeled as linear spring connections between spatially proximal representatives in a variety of coarse-grained ENMs. Coarse-graining approaches enable one to simulate harmonic and anharmonic motions of large macromolecules in a PC, while all-atom based molecular dynamics (MD) simulation has been conventionally performed with an aid of supercomputer. A harmonic analysis of a macroscopic mechanical system, called normal mode analysis, has been adopted to analyze thermal fluctuations of a microscopic biological system around its equilibrium state. Furthermore, a structure-based system optimization, called elastic network interpolation, has been developed to predict nonlinear transition (or folding) pathways between two different functional states of a same macromolecule. The good agreement of simulation and experiment allows the employment of coarse-grained ENMs as a versatile tool for the study of macromolecular dynamics.

A Study on the Vibration Reduction by the Position of Borehole using Experimental Waveform and Finite Element Analysis (실측파형과 유한요소해석을 통한 방진구의 위치별 진동 저감 연구)

  • Song, Jeong-Un;Kim, Seung-Kon;Park, Hoon;Hong, Woong-Ki
    • Journal of Environmental Impact Assessment
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    • v.22 no.4
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    • pp.381-387
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    • 2013
  • In order to improve the environmental vibration, it is necessary to method for not only reduce the vibration source, but also control the vibration path. In this study, we used borebole for estimate the vibration reduction. And also, we analyzed displacement and vibration velocity caused by the position of borehole as well as the condition of borehole in ground structure. Visual FEA(Finite Element Analysis) program was used in this numerical analysis. The results are as follows : The displacement magnitude and X, Y direction displacement were represented to different results due to the condition and position of borehole, and were represented to the lowest values when the position of borehole is the most close condition from the vibration source. And also, the vibration velocity was decreased as using borebole in ground structure. The isolation efficiency of the vibration was calculated to maximum 18.40% when borehole was established to the most close position from the vibration source and the receive point.

Nondestructive, Quantitative Synchrotron Grazing Incidence X-ray Scattering Analysis of Cylindrical Nanostructure in Supported Thin Films

  • Yoon, Jin-Hwan;Yang, Seung-Yun;Lee, Byeong-Du;Joo, Won-Chul;Heo, Kyu-Young;Kim, Jin-Kon;Ree, Moon-Hor
    • Proceedings of the Polymer Society of Korea Conference
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    • 2006.10a
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    • pp.300-300
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    • 2006
  • Nondestructive nanostructural analysis is indispensable in the development of nano-materials and nano-fabrication processes for use in nanotechnology applications. In this paper, we demonstrate for the first time a quantitative, nondestructive analysis of nanostructured thin films supported on substrates and their templated nanopores by using grazing incidence X-ray scattering and data analysis with a derived scattering theory. Our analysis disclosed that vertically oriented nanodomain cylinders had formed in 20-100 nm thick films supported on substrates consisting of a mixture of poly(styrene-b-methyl methacrylate) (PS-b-PMMA) and PMMA homopolymer, and that the PMMA nanodomains were selectively etched out by ultraviolet light exposure and a subsequent rinse with acetic acid, resulting in a structure consisting of hexagonally packed cylindrical nanopores.

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Combinatorial Synthesis of Organic Luminescent Materials (유기발광재료의 조합합성)

  • Kim, Chul-Bae;Jo, Hyun-Jong;Park, Kwang-Yong
    • Applied Chemistry for Engineering
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    • v.21 no.4
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    • pp.357-365
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    • 2010
  • Combinatorial synthesis, which has been adopted as an efficient method for deriving a leading compound in pharmaceutical chemistry, is recently being applied in various fields along with the rapid development of analysis and examination technology. It is especially attracting much attention as an efficient strategy to secure various potent compounds rapidly in the areas of developing new materials where the relationship between the chemical structure and the property is not revealed. Several reports and reviews have already been published for the combinatorial chemistry and combinatorial synthesis. This report briefly introduces trends in the combinatorial development of new materials and discusses the cases of developing organic luminescent materials.

Endophytic Diaporthe sp. ED2 Produces a Novel Anti-Candidal Ketone Derivative

  • Yenn, Tong Woei;Ring, Leong Chean;Nee, Tan Wen;Khairuddean, Melati;Zakaria, Latiffah;Ibrahim, Darah
    • Journal of Microbiology and Biotechnology
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    • v.27 no.6
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    • pp.1065-1070
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    • 2017
  • This study aimed to examine the anti-candidal efficacy of a novel ketone derivative isolated from Diaporthe sp. ED2, an endophytic fungus residing in medicinal herb Orthosiphon stamieus Benth. The ethyl acetate extract of the fungal culture was separated by open column and reverse phase high-performance liquid chromatography (HPLC). The eluent at retention time 5.64 min in the HPLC system was the only compound that exhibited anti-candidal activity on Kirby-Bauer assay. The structure of the compound was also elucidated by nuclear magnetic resonance and spectroscopy techniques. The purified anti-candidal compound was obtained as a colorless solid and characterized as 3-hydroxy-5-methoxyhex-5-ene-2,4-dione. On broth microdilution assay, the compound also exhibited fungicidal activity on a clinical strain of Candida albicans at a minimal inhibitory concentration of $3.1{\mu}g/ml$. The killing kinetic analysis also revealed that the compound was fungicidal against C. albicans in a concentration- and time-dependent manner. The compound was heat-stable up to $70^{\circ}C$, but its anti-candidal activity was affected at pH 2.

Low temperature wet-chemical synthesis of spherical hydroxyapatite nanoparticles and their in situ cytotoxicity study

  • Mondal, Sudip;Dey, Apurba;Pal, Umapada
    • Advances in nano research
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    • v.4 no.4
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    • pp.295-307
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    • 2016
  • The present research work reports a low temperature ($40^{\circ}C$) chemical precipitation technique for synthesizing hydroxyapatite (HAp) nanoparticles of spherical morphology through a simple reaction of calcium nitrate tetrahydrate and di-ammonium hydrogen phosphate at pH 11. The crystallinity of the single-phase nanoparticles could be improved by calcinating at $600^{\circ}C$ in air. Thermogravimetric and differential thermal analysis (TG-DTA) revealed the synthesized HAp is stable up to $1200^{\circ}C$. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) studies confirmed the formation of spherical nanoparticles with average size of $23.15{\pm}2.56nm$ and Ca/P ratio of 1.70. Brunauer-Emmett-Teller (BET) isotherm of the nanoparticles revealed their porous structure with average pore size of about 24.47 nm and average surface area of $78.4m2g^{-1}$. Fourier transform infrared spectroscopy (FTIR) was used to confirm the formation of P-O, OH, C-O chemical bonds. Cytotoxicity and MTT assay on MG63 osteogenic cell lines revealed nontoxic bioactive nature of the synthesized HAp nanoparticles.

Morphology Effect on Electrocatalytic Activity of TiO2 Spheres Synthesized by Binary Ionic Liquids in Water Electrolysis

  • Hong, Ki-Won;Pak, Dae-Won;Yoo, Kye-Sang
    • Bulletin of the Korean Chemical Society
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    • v.33 no.6
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    • pp.1829-1833
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    • 2012
  • Titania spheres were synthesized using binary ionic liquids to examine the electrocatalytic activity in acid solution. The morphology of $TiO_2$ particles was significantly different with the composition of ionic liquids. Among the binary ionic liquids, four set of mixtures led to the formation of $TiO_2$ sphere with various sizes. The morphology and structure of $TiO_2$ particles were characterized by XRD, $N_2$ physisoption and SEM analysis. All samples possessed an anatase phase after calcinations at $500^{\circ}C$. The structural properties of the samples were varied significantly with the morphology. In cyclic voltammograms, the morphology of $TiO_2$ spheres affected the electrocatalytic activity in water electrolysis. Among the samples, [Omim][$BF_4$]+[Hmim][$BF_4$] was the most effective ionic liquid to synthesize $TiO_2$ sphere with optimum morphology showing the highest electocatalytic performance.