• Bulletin of the Korean Chemical Society
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• v.35 no.6
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• pp.1769-1776
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• 2014

Binding modes of a series of catechol derivatives such as protein tyrosine phosphatase 1B (PTP1B) inhibitors were identified by molecular modeling techniques. Docking, molecular dynamics simulations and free energy calculations were employed to determine the modes of these new inhibitors. Binding free energies were calculated by involving different energy components using the Molecular Mechanics-Poisson-Boltzmann Surface Area and Generalized Born Surface Area methods. Relatively larger binding energies were obtained for the catechol derivatives compared to one of the PTP1B inhibitors already in use. The Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) free energy decomposition analysis indicated that the hydroxyl functional groups and biphenyl ring system had favorable interactions with Met258, Tyr46, Gln262 and Phe182 residues of PTP1B. The results of hydrogen bound analysis indicated that catechol derivatives, in addition to hydrogen bonding interactions, Val49, Ile219, Gln266, Asp181 and amino acid residues of PTP1B are responsible for governing the inhibitor potency of the compounds. The information generated from the present study should be useful for the design of more potent PTP1B inhibitors as anti-diabetic agents.

• Proceedings of the Korean Geotechical Society Conference
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• 2010.03a
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• pp.448-456
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• 2010

The mechanical behavior of granular soils is affected by particle bonding including natural cementation. This study addresses a simple model of small strain stiffness and salt concentration based on wave measurements of salt-cemented particulate media. Published models of artificially cemented soils with different curing methods and several types of cementation agents are reviewed. Glass beads with the median diameter of D50 = 0.5mm are prepared in rectangular cells using the water-pluviated method in salt water with different concentrations. Piezo disk elements and bender elements embedded in the cell are used for the measurements of compressional and shear waves. The relationships between elastic wave velocities and salt concentration show an exponential function. The measured small strain stiffness matches well the predicted small strain stiffness based on micromechanics for simple cubic monosized sphere particles. This study demonstrates that the salt concentration in salt-cemented specimen may be evaluated by using elastic wave velocities.

• The Journal of Korean Academy of Prosthodontics
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• v.38 no.2
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• pp.255-263
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• 2000

The purpose of this study was to compare the microleakage of the composite resin cores according to surface treatment, dentin bonding agents, and thermocycling. For this study, 120 extracted premolar teeth were used. Flat occlusal surfaces were prepared with diamond disk, and treated with air-abrasion, acid-etching, combination. The composite resin core was built with Z-100 after application of Scotchbond Multi-Purpose and All-Bond 2. Prepared specimens were thermocycled for 2,000 cycles. Specimens were immersed in 1% methylene blue solution for 24hours at $37^{\circ}C$. The microleakage was measured with a inverted metallurgical microscope(BHS313, Olympus, Japan). The following conclusions were drawn from this study: 1. The microleakages in the groups treated with air-abrasion and with acid etching were greater than that of the groups treated with combination method before thermocycling(p<0.05), the microleakages of the groups treated with air-abrasion were greater than that of the groups treated with acid-etching and combination method after thermocycling(p<0.05) 2. There were no significant difference between groups using Scotchbond Multi-Purpose and the groups using All-Bond 2. 3. Thermocycling didn't affect the change of microleakage in all cases.

• Carbon letters
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• v.11 no.2
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• pp.107-111
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• 2010

We prepared the amine epoxy adducts (AEA)/thin multiwalled carbon nanotubes (TWCNTs) composite particles using nonsolvent based methods including dry mechano-chemical bonding(MCB) process and supercritical fluid (SCF) process. The resulting TWCNTs/AEA composite particles have been used as curing agents for urethane modified bispheol A type epoxy resin. The thermal, thermomechanical properties of the epoxy resins cured with TWCNTs/AEA composite particles were measured by DMA and the dispersion of CNT was characterized by SEM. Because of high degree of CNT dispersion, thermal and mechanical properties of the epoxy resin cured with TWCNTs/AEA composite particles prepared by SCF process are better than those cured with mechano-chemically prepared TWCNTs/AEA composite particles.

• Asian Pacific Journal of Cancer Prevention
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• v.17 no.3
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• pp.1571-1576
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• 2016

Alteration of the acetylation status of chromatin and other non-histone proteins by HDAC inhibitors has evolved as an excellent epigenetic strategy in treatment of cancers. The present study was sought to identify compounds with positive pharmacological profiles targeting HDAC1. Analogues of Vorinostat synthesized by Cai et al, 2015 formed the test compounds for the present pharmacological evaluation. Hydroxamte analogue 6H showed superior pharmacological profile in comparison to all the compounds in the analogue dataset owing to its better electrostatic interactions and hydrogen bonding patterns. In order to identify compounds with even better high affinity and pharmacological profile than 6H and Vorinostat, virtual screening was performed. A total of 83 compounds similar to Vorinostat and 154 compounds akin to analogue 6H were retrieved. SCHEMBL15675695 (PubCid: 15739209) and AKOS019005527 (PubCid: 80442147) similar to Vorinostat and 6H, were the best docked compounds among the virtually screened compounds. However, in spite of having good affinity, none of the virtually screened compounds had better affinity than that of 6H. In addition SCHEMBL15675695 was predicted to be a carcinogen while AKOS019005527 is Ames toxic. From, our extensive analysis involving binding affinity analysis, ADMET properties predictions and pharmacophoric mappings, we report Vorinostat hydroxamate analogue 6H to be a potential candidate for HDAC inhibition in treatment of cancers through an epigenetic strategy.

• Journal of the Korean Society of Clothing and Textiles
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• v.9 no.3
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• pp.35-44
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• 1985

This research explored the effects of abrasion, laundering, and abrasion/laundering interaction upon wear of 15 durable nonwoven fabrics. Wear was measured in terms of changes in tensile strength and stiffness. The test materials consisted of nine different dry-laid commercial interfacing fabrics of various fiber contents and six spunbonded poyester and polypropylene fabrics. Three fixed levels of abrasion and four fixed levels of laundering made up the 3$\times$4 factorial analysis used for the experiment and the analysis of variance. Findings revealed that abrasion had a greater effect than laundering on strength and stiffness of the tested fabrics. Laundering seemed related to the particular fibers used and to the fixation quality of fiber bonds. Spunbonded webs performed better than dry-laid webs in retaining tensile strength Stiffness change occurred more readily than strength change. Lighter, flexible, stretchable fabrics seemed less easily abraded than heavier, stiff, less stretchable fabrics. The interfacing fabrics of 70/20/$10\%$ nylon/polyester/rayon blends with high crosswise stretchability effectively resisted wear caused by abrasion and laundering. Further research is recommended to study the effects of longer abrasion periods and additional laundering cycles o,1 wear qualities of nonwoven fabrics. Additional factors such as amount and fixation methods of bonding agents, the effect of shear distortion, seam construction, and drycleaning solvents could also be studied.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2003.05a
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• pp.67-71
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• 2003

This study is for the great quantity use of fly-ash. For the producing of high volume concrete from the use of fly-ash, the method of replacement between bonding agents and fine aggregate by fly-ash at the same time was used. It was used that the adiabatic temperature rise of concrete about the mass member which bad been produced by the method that was mentioned before, and the hydration heat of the core test pieces in concrete was measured. Also the core test pieces which were replaced with fly-ash was studied by the compressive streneth's comparison between standard care test pieces and core test pieces. In the case of mass test pieces, hydration heat and the tine to reach the highest temperature were decreased by an increase in replaced fly-ash's amounts of concrete. In addition, among the test pieces having the same amounts of concrete, the test pieces having more replaced amounts of fly-ash's fine aggregate showed higher hydration heat and the increased time to reach the highest temperature. Compressive strength was also increased by hydration heat's decrease according to fly-ash replacement. Replacement of fly-ash was more effective in high temperature environment.

• Elastomers and Composites
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• v.43 no.2
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• pp.72-81
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• 2008

Nowadays, modifying asphalt to improve the resistancy of plastic deformation or rutting on roads has been drawing attention. In this study, asphalts were modified with modifying agents and ground rubber from waste tire (GRT), and the effects of modifier and GRT on the properties of asphalt were analyzed. The Marshall stability of modified asphalt was increased by 98% and the tensile strength increased by 43% compared to straight asphalt. GRT played an important role in enhancing these properties. Viscosity tests, penetration tests and TMA analysis showed the deformation resistancy of modified asphalt. IR and GPC tests indicated that asphalt and modifier have similar chemical structures to each other, and chemical bonding between asphalt and modifier have occurred so that the molecular size lengthened.

• Bulletin of the Korean Chemical Society
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• v.35 no.10
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• pp.2922-2928
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• 2014

To investigate the possible isosteric replacement of imidazolidinone moiety in 4-phenyl-1-arylsulfonylimidazolidinones (2) for broad and potent anti-cancer agents, a series of 5-phenyl-1H-pyrazol-3-yl 1-(acyl)indoline-5-sulfonates (4) and 1-(1-(acyl)indolin-5-ylsulfonyl)-5-phenylpyrazolidin-3-ones (5) were prepared and evaluated for their cytotoxicity against six human cancer cell lines. Although the pyrazoles 4 or pyrazolidinones 5 showed relatively good activity, still they showed lesser activity in comparison to imidazolidinones 2. These activity decreases could be interpreted with the effect of change of the hydrogen bonding characteristics and the substitution pattern on structural variations of five membered rings from imidazolidinones 2 to pyrazoles 4 and pyrazolidinones 5, respectively. Therefore, it can be concluded that 4-phenyl-1-arylsulfonylimidazolidinone is a basic pharmacophore of imidazolidinones 2.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2381-2386
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• 2013

A new series of Mn(II) and Mo(VI) complexes containing the Schiff bases hydrazinecarbothioamide and hydrazinecarboxamide of 5,6-dimethyl-1H-indol-2,3-dione have been synthesized. The nature of bonding and the stereochemistry of the complexes have been deduced from elemental analyses, molecular weight determinations and spectral studies viz. electronic IR, ESR, $^1H$ NMR and $^{13}C$ NMR and X-ray diffraction spectral studies. The magnetic moment values of the manganese(II) complexes are in the range of 5.80-6.15 B.M. suggesting a high spin state of manganese in these complexes. The spectral data are consistent with a tetrahedral geometry around Mn(II) and an octahedral geometry for Mo(VI), in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulfur/oxygen atoms. The ligands and their metal complexes have been tested against a number of pathogenic fungi and bacteria at different concentrations and were found to possess sufficient fungicidal and bactericidal properties. Further, the complexes were also tested for their antifertility activity in male albino rats and the results were indeed positive.