• Title/Summary/Keyword: Chemical-structural properties

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Surface Characterization of the Activated Carbon Fibers After Plasma Polymerization of Allylamine

  • Lu, Na;Tang, Shen;Ryu, Seung-Kon;Choi, Ho-Suk
    • Carbon letters
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    • v.6 no.4
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    • pp.243-247
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    • 2005
  • Plasma polymerization of allylamine subsequently after plasma pre-treatment was conducted on the activated carbon fibers (ACFs) for the immobilization of amine groups in the surface of ACFs. The change of structural properties of ACFs with respect to different polymerization conditions was investigated through BET method. The change of surface morphologies of ACFs with respect to different plasma polymerization power was also studied through AFM. It was found that the structural properties such as specific surface area and micropore volume could be optimized under certain plasma deposition conditions. It was reckoned that treatment and deposition showed adverse effect on plasma polymerization, in which the former developed the micro-structures of the ACFs and the latter tended to block the micro pores. The Fourier transform infrared spectroscopy (FTIR) revealed that the poly(allylamine) was successfully immobilized on the surface of ACFs and the amount of the deposited polymer layer was related to the plasma polymerization power. SEM results showed that the plasma deposited polymer layer were small and homogenously distributed. The size and the distribution of particles deposited were closely related to the plasma polymerization power, too.

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Selective Coordination of Silver Ions to Poly(styrene-b-(ethylene-co-butylene)-b-styrene) and its Influence on Morphology and Facilitated Olefin Transport

  • Lee, Dong-Hoon;Kang, Yong-Soo;Kim, Jong-Hak;Kang, Sang-Wook
    • Macromolecular Research
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    • v.16 no.8
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    • pp.676-681
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    • 2008
  • The $\pi$-complex membranes of poly(styrene-b-(ethylene-co-butylene)-b-styrene) (SEBS) of two silver salts of $AgBF_4$ and $AgCF_3SO_3$ were prepared and tested for the separation of the propylene/propane mixtures. The Fourier-transform infrared (FT-IR) spectra of these complexes showed that the silver salts were dissolved in SEBS up to a silver mole fraction of 0.14, due to $\pi$-complexation between the aromatic C=C bonds of styrene blocks and silver ions. Above this solubility limit, ion pairs and high-order ionic aggregates began to form, so that silver salts were distributed unselectively in both the EB and PS blocks. The domain size of the PS blocks was enlarged up to this critical concentration with increasing silver concentration without structural transitions, as confirmed by small angle x-ray scattering (SAXS). These structural properties of the SEBS/silver salt complexes may explain the lower separation properties for propylene/propane mixtures compared to poly(styrene-b-butadiene-b-styrene)(SBS)/silver salt complex membranes.

Structural Bioinformatics Analysis of Disease-related Mutations

  • Park, Seong-Jin;Oh, Sang-Ho;Park, Dae-Ui;Bhak, Jong
    • Genomics & Informatics
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    • v.6 no.3
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    • pp.142-146
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    • 2008
  • In order to understand the protein functions that are related to disease, it is important to detect the correlation between amino acid mutations and disease. Many mutation studies about disease-related proteins have been carried out through molecular biology techniques, such as vector design, protein engineering, and protein crystallization. However, experimental protein mutation studies are time-consuming, be it in vivo or in vitro. We therefore performed a bioinformatic analysis of known disease-related mutations and their protein structure changes in order to analyze the correlation between mutation and disease. For this study, we selected 111 diseases that were related to 175 proteins from the PDB database and 710 mutations that were found in the protein structures. The mutations were acquired from the Human Gene Mutation Database (HGMD). We selected point mutations, excluding only insertions or deletions, for detecting structural changes. To detect a structural change by mutation, we analyzed not only the structural properties (distance of pocket and mutation, pocket size, surface size, and stability), but also the physico-chemical properties (weight, instability, isoelectric point (IEP), and GRAVY score) for the 710 mutations. We detected that the distance between the pocket and disease-related mutation lay within $20\;{\AA}$ (98.5%, 700 proteins). We found that there was no significant correlation between structural stability and disease-causing mutations or between hydrophobicity changes and critical mutations. For large-scale mutational analysis of disease-causing mutations, our bioinformatics approach, using 710 structural mutations, called "Structural Mutatomics," can help researchers to detect disease-specific mutations and to understand the biological functions of disease-related proteins.

A Study on the Fabrication and Structural Properties of BaTiO$_3$ Thin Film by RF Sputtering (RF Sputtering법에 의한 BaTiO$_3$ 박막의 제조 및 구조적 특성에 관한 연구)

  • 이문기;류기원;배선기;이영희
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1996.05a
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    • pp.193-197
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    • 1996
  • BaTiO$_3$films in pure Ar atmosphere were prepared by RF sputtering method at low substrate temperature(100$^{\circ}C$). The structural and crystallographic properties were studied with deposition conditions and annealing methodes. Deposition rates and structural properties of BaTiO$_3$ thin filles were investigated by the SEM and X-ray diffraction. The chemical composition of BaTiO$_3$ thin films grown on Si(100) wafer was studied by tole EDS and EPHA. The optimised Ar pressure and RF power were 8[mtorr] and 180[W], respectively. The thickness of BaTiO$_3$ thin films deposited at optimised conditions was ∼3400[${\AA}$], and the dielectric constant of the thin films heat-treated at 750[$^{\circ}C$] for 1[hr] was 259.

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Encapsulation of 2,4-Dihydroxybenzophenone into Dodecylbenzenesulfonate Modified Layered Double Hydroxide for UV Absorption Properties

  • Li, Shifeng;Shen, Yanming;Liu, Dongbin;Fan, Lihui;Wu, Keke
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.392-396
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    • 2014
  • New organic-inorganic composite of 2,4-dihydroxybenzophenone (BP-1) encapsulation into dodecylbenzenesulfonate (DBS) modified layered double hydroxide (LDH) was successfully prepared. The surface, structural, thermal and absorption properties of the BP-1/DBS-LDH nanohybrid was characterized by BET analysis, scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TG) and diffuse reflectance UV-Vis absorbance spectra (DRUV-vis). The interlayer configuration of composite and the adsorption mechanism of BP-1 on MgAl-DBS-LDH were discussed. It was suspected that DBS anions located in the form of monolayer arrangement with a $75^{\circ}$ anti parallel angle between dodecylbenzenesulfonate chain axis. The diffuse reflectance UV-Vis absorbance results revealed that the UV absorbing wavelength of BP-1/DBS-LDH evidently extends to about 400 nm, which shows that the BP-1/DBS-LDH has the potential application as a UV absorber.

Effects of Halothane on Dimyristoylphosphatidylcholine Lipid Bilayer Structure: A Molecular Dynamics Simulation Study

  • Oh, Kwang-Jin;Klein, Michael L.
    • Bulletin of the Korean Chemical Society
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    • v.30 no.9
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    • pp.2087-2092
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    • 2009
  • We performed molecular dynamics simulations on dimyristoylphosphatidylcholine lipid bilayer with 50 mol% halothane. The structural properties, electron density profile, segmental order parameter of acyl chains, headgroup orientation distribution, water dipole orientation distribution, have been examined. Overall the effects of the halothane molecules on structural properties of DMPC lipid bilayer were found to be small. The electron density profiles, the segmental order parameter, the headgroup orientation, the water dipole orientation were not affected significantly by the halothane molecules. Pressure tensor calculations shows that the lateral pressure increases at the hydrocarbon tail region and the headgroup region, and decreases at the water-headgroup interfacial region.

Characterization of Diamond-like Carbon Films Prepared by Magnetron Plasma Chemical Vapor Deposition

  • Soung Young Kim;Jai Sung Lee;Jin Seok Park
    • The Korean Journal of Ceramics
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    • v.4 no.1
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    • pp.20-24
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    • 1998
  • Thin films of diamond-like carbon(DLC) can be successfully deposited by using a magnetron plasma chemical vapor deposition (CVD) method with an rf(13.56 MHz) plasma of $C_dH_8$. Plasma characteristics are analyzed as a function of the magnetic field. As the magnetic field increases, both electron temperature ($T_e$) and density ($n_e$)increase, but the negative dc self-bias voltage (-$V_{ab}$) decreases, irrespective of gas pressures in the range of 1~7 mTorr. High deposition rates have been obtained even at low gas pressures, which may be attributed to the increased mean free path of electrons in the magentron plasma. Effects of rf power and additive gas on the structural properties of DLC films aer also examined by using various technique namely, TED(transmissio electron diffraction) microanalysis, FTIR, and Raman spectroscopies.

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ReaxFF and Density Functional Theory Studies of Structural and Electronic Properties of Copper Oxide Clusters

  • Baek, Joo-Hyeon;Bae, Gyun-Tack
    • Journal of the Korean Chemical Society
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    • v.64 no.2
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    • pp.61-66
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    • 2020
  • In this study, we investigate the structural and electronic properties of copper oxide clusters, CunOn (n = 9 - 15). To find the lowest energy structures of copper oxide clusters, we use ReaxFF and density functional theory calculations. We calculate many initial copper oxide clusters using ReaxFF quickly. Then we calculate the lowest energy structures of copper oxide clusters using B3LYP/LANL2DZ model chemistry. We examine the atomization energies per atom, average bond angles, Bader charges, ionization potentials, and electronic affinities of copper oxide clusters. In addition, the second difference in energies is investigated for relative energies of copper oxide clusters.