• YAKHAK HOEJI
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• v.54 no.1
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• pp.62-66
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• 2010

Benzopyrene is known to be one of the most powerful carcinogens which can build intercalated motif between base pairs in damaged DNA. The dimension of benzopyrene itself is much bigger than any of the DNA bases and thus the question whether the lesion of some base pair by insertion of benzopyrene can happen with or without a dramatic distortion of the helical structure is a highly interesting theme. In this work we used a molecular mechanics simulation using AMBER program package to go into the conformational characteristics. The condition of the insertion process of the benzopyrene motif from minor groove of the starting structure between the base pairs in the internal area of double helix was investigated using the molecular dynamics simulation at elevated temperature.

• Journal of the Korean Society of Industry Convergence
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• v.13 no.2
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• pp.93-98
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• 2010

Polypropylene / montmorillonite / wood flour nanocomposites are melt-mixed by using a twin screw extruder. The montmorillonite is intercalated by the wood flour and the basal spacing of montmorillonite is increased with increasing the content of wood flour. The exfoliation constantly occurs by adding more than 10 wt.% of maleic anhydride-grafted polypropylene as the compatibilizer, which is used for improving the interfacial adhesion between matrix and filler. Also, the maleic anhydride-grafted polypropylene enhances the mechanical properties of the nanocomposites.

• Bulletin of the Korean Chemical Society
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• v.10 no.1
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• pp.27-30
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• 1989

Lithium has been intercalated into $FeMoO_4Cl$, and deintercalated from $LixFeMoO_4Cl$ both electrochemically and chemically. The inserted $Li^+$ ions are stabilized in the distorted octahedral field in interlayer space of $FeMoO_4Cl$. The crystal symmetry is reduced from tetragonal to monoclinic due to the reduction of ferric to ferrous ions in $LixFeMoO_4Cl$ upon lithium intercalation. From the magnetic and structural data, it has been concluded that the high-spin electronic configuration of $Fe^{2+}(d_{xz}^2{d_{y2}^1}{d_1}{2d_z^12}{\cdot}_y2)$, corresponding to $^5E_g$, group term in $D_{4h}$ symmetry, can be stabilized by the elongation of $FeO_4Cl_{2-}$octahedra in a weak ligand field.

• Bulletin of the Korean Chemical Society
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• v.21 no.10
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• pp.1049-1051
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• 2000

A chromia-pillared clay has been prepared by ion exchange type intercalation reaction between the sodium ion in montmorillonite and the trimeric chromium oxyformate (TCF) ion, and by subsequent heat-treatment. The structural and thermal properties have been systematically studied by thermal analysis, powder XRD, IR spec-troscopy, and XAS. The gallery height of~6.8 $\AA$ upon intercalation of the TCF ion suggests that the $Cr_3O$ plane is parallel to the aluminosilicate layers. Even though the basal spacing of TCF intercalated clay decreases slightly upon heating, the layer structure was retained up to $550^{\circ}C$ as confirmed by XRD and TG/DTA. Ac-cording to the EXAFS spectroscopic analysis, it is identified that the (Cr-Cr) distance of 3.28 $\AA$ between vertex-linked CrO6 octahedra in TCF splits into 2.64 $\AA$, 2.98 $\AA$, and 3.77 $\AA$ due to the face-, edge-, and corner-shared CrO6 octahedra after heating at $400^{\circ}C$, implying that a nano-sized chromium oxide phase was stabilized within the interlayer space of clay.

• Bulletin of the Korean Chemical Society
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• v.22 no.4
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• pp.367-371
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• 2001

Lithium inserted into artificial carbon has been synthesized as a function of the Li concentration. The characteristics of these prepared compounds were determined from the studies using X-ray diffraction(XRD), solid nuclear magnetic resonance (NM R) spectrophotometric and differential scanning calorimeter(DSC) analysis. X-ray diffraction showed that lower stage intercalation compounds were formed with increasing Li concentration. In the case of the AG3, most compounds formed were of the stage 1 structure. Pure stage 1 structural defects of artificial graphite were not observed. 7Li-NMR data showed that bands are shifted toward higher frequencies with increasing lithium concentration; this is because non-occupied electron shells of Li increased in charge carrier density. Line widths of the Li inserted carbon compounds decreased slowly because of nonhomogeneous local magnetic order and the random electron spin direction for located Li between graphene layers. The enthalpy and entropy changes of the compounds can be obtained from the differential scanning calorimetric analysis results. From these results, it was found that exothermic and endothermic reactions of lithium inserted into artificial carbon are related to the thermal stability of lithium between artificial carbon graphene layers.

• Applied Chemistry for Engineering
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• v.30 no.2
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• pp.133-140
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• 2019

Two-dimensional (2D) ultrathin molybdenum dichalcogenides $MoS_2$ has gained a great deal of attention in energy conversion and storage applications because of its unique morphology and property. The 2D $MoS_2$ nanosheets provide a high specific surface area, 2D charge channel, sub-nanometer thickness, and high conductivity, which lead to high electrochemical performances for energy storage devices. In this paper, an overview of properties and synthetic methods of $MoS_2$ nanosheets for applications of supercapacitors and rechargeable batteries is introduced. Different phases triangle prismatic 2H and metallic octahedral 1T structured $MoS_2$ were characterized using various analytical techniques. Preparation methods were focused on top-down and bottom-up approaches, including mechanical exfoliation, chemical intercalation and exfoliation, liquid phase exfoliation by the direct sonication, electrochemical intercalation exfoliation, microwave-assisted exfoliation, mechanical ball-milling, and hydrothermal synthesis. In addition, recent applications of supercapacitors and rechargeable batteries using $MoS_2$ electrode materials are discussed.

• Bulletin of the Korean Chemical Society
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• v.16 no.4
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• pp.299-304
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• 1995

In order to find out the relationship between electronic structures of metal oxychlorides (MOCl) and their physicochemical properties, we have carried out the tight-binding band electronic structure calculations with Extended Huckel (EH) method for TiOCl, VOCl and FeOCl. The relative contribution of metal atom to DOS at Fermi level increases in the order of Ti, V and Fe, which is parallel to the reactivities of MOCl toward guest species. The M2+ ion plays a crucial role in the electric conductivity of MOCl and its intercalation compounds. Hopping conduction theory is applied to explain the increase of conductivity after intercalation.

• Bulletin of the Korean Chemical Society
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• v.16 no.4
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• pp.344-348
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• 1995

As an effort to elucidate the chiral recognition mechanisms exerted by the (S)-naproxen-derived CSP bearing both π-acidic and π-basic sites, a homologues series of π-basic N-acyl-α-(1-naphthyl)alkylamines and π-acidic N-(3,5-dinitrobenzoyl)-α-amino esters were prepared and resolved. Based on the chromatographic resolution trends of the homologues series of analytes on the (S)-naproxen-derived chiral stationary phase, we proposed chiral recognition mechanisms which demonstrate that the intercalation of the substituent in the analyte molecule between the strands of bonded phase does significantly influence the enantioselectivity for resolving N-acyl-α-(1-naphthyl)alkylamines but the intercalation process is not involved in resolving N-(3,5-dinitrobenzoyl)-α-amino esters.

• Proceedings of the Materials Research Society of Korea Conference
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• 1999.11a
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• pp.155-155
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• 1999

• 한국전기화학회:학술대회논문집
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• 1999.10a
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• pp.64-64
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• 1999