• Bulletin of the Korean Chemical Society
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• v.30 no.9
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• pp.2083-2086
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• 2009

Human vascular endothelial growth factor receptor 2 (hVEGFR2) is an important signaling protein involved in angiogenesis and attractive drug target in cancer therapy. It has been reported that flavonols, a class of flavonoids, have anti-angiogenic activity in various cancer cell lines. We performed receptor-oriented pharmacophore based in silico screening for identification of hVEGFR2 inhibitors from flavonol database. By comparing with three X-ray complex structures of hVEGFR2 and its inhibitors, we evaluated the specific interactions between inhibitors and receptors and determined a single pharmacophore map. This map consisted of four features, a hydrogen bonding acceptor (HBA) on Cys917, two hydrogen bonding donors on Glu917 (HBD1) and Glu883 (HBD2), and one hydrophobic interaction (Lipo) with Val846, Ala864, Val897, Val914 and Phe1045 of hVEGFR2. Using this map, we searched a flavonol database including 9 typical flavonols and proposed that five flavonols, kaempferol, quercetin, fisetin, morin, and rhamnetin can be potent inhibitors of hVEGFR2. 3-OH of C-ring and 4’-OH of B-ring of flavonols are the essential features for hVEGFR2 inhibition. This study will be helpful for understanding the mechanism of inhibition of hVEGFR2 by natural products.

• Journal of the Korean Geophysical Society
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• v.6 no.4
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• pp.245-259
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• 2003

Two multichannel analysis of surface wave (MASW) surveys were conducted over a soil site in Tacoma Water's Green River Facility, Washington, where construction of a chemical treatment facility had been planned. The purpose of the surveys was to compare soil stiffness characterized by shear-velocity (Vs) distribution before and after Deep Dynamic Compaction (DDC) operation that was designed to improve the soil stiffness. Site soil consisted of very heterogeneous gravel and cobbles in a sand-and-silt matrix. Results from each survey are represented by two 2-D Vs maps delineating Vs variation of soil below the surveyed lines. One map was constructed from those dispersion curves that were analyzed with a significant amount of subjective judgment involved, whereas the other map was constructed from those dispersion curves analyzed with as much objective information as possible. Comparison of 2-D Vs maps indicates that Vs actually decreased after the DDC operations, possibly due to the loss (or reduction) of cohesive bonding between soil particles caused by the compaction operations.

• Journal of the Korean Society for Precision Engineering
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• v.23 no.8 s.185
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• pp.127-136
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• 2006

Metallic sandwich plates with inner dimpled shell subject to 3-point bending have been analyzed and then optimized for minimum weight. Inner dimpled shells can be easily fabricated by press or roll with high precision and bonded with same material skin sheets by resistance welding or adhesive bonding. Metallic sandwich plates with inner dimpled shell structure can be optimally designed for minimum weight subject to prescribed combination of bending and transverse shear loads. Fundamental findings for lightweight design are presented through constrained optimization. Failure responses of sandwich plates are predicted and formulated with an assumption of narrow sandwich beam theory. Failure is attributed to four kinds of mechanisms: face yielding, face buckling, dimple buckling and dimple collapse. Optimized shape of inner dimpled shell structure is a hemispherical shell to minimize weight without failure. It is demonstrated that bending stiffness of sandwich plate is 2 or 3 times larger than solid plates with the same strength. Failure mode boundaries and iso-strength lines dependent upon the geometry and yield strain of the material are plotted with respect to geometric parameters on the failure map. Because optimal parameters of maximum strength for given material weight can be selected from the map, analytic solutions for maximum strength are expressed as a function of only material property and proposed strength. These optimal parameters match well with numerical optimal parameters.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.402.1-402.1
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• 2014

Photonic force microscopy (PFM) is an optical tweezers-based scanning probe microscopy, which measures the forces in the range of fN to pN. The low stiffness leads proper to measure single molecular interaction. We introduce a novel photonic force microscopy to stably map various chemical properties as well as topographic information, utilizing weak molecular bond between probe and object's surface. First, we installed stable optical tweezers instrument, where an IR laser with 1064 nm wavelength was used as trapping source to reduce damage to biological sample. To manipulate trapped material, electric driven two-axis mirrors were used for x, y directional probe scanning and a piezo stage for z directional probe scanning. For resolution test, probe scans with vertical direction repeatedly at the same lateral position, where the vertical resolution is ~25 nm. To obtain the topography of surface which is etched glass, trapped bead scans 3-dimensionally and measures the contact position in each cycle. To acquire the chemical mapping, we design the DNA oligonucleotide pairs combining as a zipping structure, where one is attached at the surface of bead and other is arranged on surface. We measured the rupture force of molecular bonding to investigate chemical properties on the surface with various loading rate. We expect this system can realize a high-resolution multi-functional imaging technique able to acquire topographic map of objects and to distinguish difference of chemical properties between these objects simultaneously.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.32 no.1
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• pp.7-11
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• 2022

Recently, Hanmi Gemological Institute & Laboratory (HGI) had an opportunity to examine 5 transparent synthetic moissanite. The round brilliants ranged from 0.93 to 0.96 ct and had a colorless, pink, yellow, blue, and red color. Advanced testing results, including Fourier-transform infrared (FTIR) and Raman spectroscopy, identified all the specimens as synthetic moissanite. Under the microscope, all samples except the colorless were confirmed to be a synthetic moissanite coated with a colored film. EDXRF chemical analysis detected very weak X-ray fluorescence peak characteristics of Ca, Ti, and Co in the colored samples. These features were not detected in the colorless sample. Raman spectroscopy investigation was unable to detect the 1332 cm^-1 (produced by sp³ bonding of carbon atoms) or the ~1550 cm^-1 (produced by graphite-related sp² bonding) peak in the colorless sample. The SEM image of the colorless sample showed no indication of a coating. The TEM image of the colorless sample revealed the presence of a 3~8 nm thick layer on the moissanite. Moreover, from the corresponding STEM Z-contrast image combined with the energy-dispersive X-ray spectroscopy (EDX) line profiles and EDX elemental maps, this layer was estimated to be carbon, silicon and oxygen.

• Child Studies in Asia-Pacific Contexts
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• v.2 no.1
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• pp.29-43
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• 2012

The purpose of the study was to generate the candidate items for the Adolescent Friendship Social Capital Scale. Both inductive and deductive approaches were used to generate the scale items. Halpern's conceptual map of social capital served as the theoretical basis of this scale, and guided the development of items. Semi-structured interviews with adolescents in Sydney, Melbourne and Beijing generated the initial pool of scale items. Twenty-six items were generated for the Adolescent Friendship Social Capital Scale. The items are organised in four theoretical constructs: Bonding Networks, Bridging Norms, Bridging Sanctions, and Linking Networks. Each item is a short statement followed by a five-point Likert scale anchored by 1= "Strongly disagree" and 5= "Strongly agree". The scale has several advantages over previous measures of adolescent friendship networks and friendship social capital. The scale has a strong and clear theoretical structure, the scale items demonstrate initial construct and content validity, and the format of the scale enables the collection of continuous data. However, in order to ensure the validity and reliability of the scale, another two stages of research need to be conducted in the future: scale development and scale evaluation.

• Bulletin of the Korean Chemical Society
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• v.29 no.9
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• pp.1717-1722
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• 2008

The 70 kDa heat-shock protein (Hsp70) involved in various cellular functions, such as protein folding, translocation and degradation, regulates apoptosis in cancer cells. Recently, it has been reported that the green tea flavonoid (−)-epigallocatechin 3-gallate (EGCG) induces apoptosis in numerous cancer cell lines and could inhibit the anti-apoptotic effect of human Hsp70 ATPase domain (hATPase). In the present study, docking model between EGCG and hATPase was determined using automated docking study. Epi-gallo moiety in EGCG participated in hydrogen bonds with side chain of K71 and T204, and has metal chelating interaction with hATPase. Hydroxyl group of catechin moiety also participated in metal chelating hydrogen bond. Gallate moiety had two hydrogen bondings with side chains of E268 and K271, and hydrophobic interaction with Y15. Based on this docking model, we determined two pharmacophore maps consisted of six or seven features, including three or four hydrogen bonding acceptors, two hydrogen bonding donors, and one lipophilic. We searched a flavonoid database including 23 naturally occurring flavonoids and 10 polyphenolic flavonoids with two maps, and myricetin and GC were hit by map I. Three hydroxyl groups of B-ring in myricetin and gallo moiety of GC formed important hydrogen bonds with hATPase. 7-OH of A-ring in myricetin and OH group of catechin moiety in GC are hydrogen bond donors similar to gallate moiety in EGCG. From these results, it can be proposed that myricetin and GC can be potent inhibitors of hATPase. This study will be helpful to understand the mechanism of inhibition of hATPase by EGCG and give insights to develop potent inhibitors of hATPase.

• Journal of the Korean Chemical Society
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• v.18 no.2
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• pp.97-109
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• 1974

The crystal and molecular structure of sulfaguanidine monohydrate, $C_7H_{10}N_4O_2S{\cdot}H_2O$, was determined from visually estimated intensity data from Weissenberg photographs. The crystal data are monoclinic, space group $P2_1$/c with four molecules in a unit cell of dimensions, ${\alpha}=7.57{\pm}0.03,\;b=5.44{\pm}0.02,\;c=24.76{\pm}0.06{\AA},\;{\beta}=91.0{\pm}0.2^{\circ}$. The structure has been solved by an interpretation of a Patterson map and with a help of a direct procedure on a projection. The parameters were refined isotropically by block-diagonal least-squares methods using 1542 observed independent reflections to give R = 0.14. By hydrogen bonding a guanidyl nitrogen of a sulfaguanidine molecule is linked to the sulfonyl oxygens of the other molecules indirectly through two different water molecules. The role of water molecule is both a donor and an acceptor in hydrogen-bonding formation and these hydrogen bonds are tetrahedrally oriented. The hydrogen-bonding networks form infinite molecular layers parallel to (001) plane.

• Journal of the Korean Chemical Society
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• v.57 no.5
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• pp.554-559
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• 2013

In this study, we have investigated potential energy of ${\beta}$-D-glucopyranose in vacuum and implicit water condition. By Comparing two conditions we find that how solvation energy influence ${\beta}$-D-glucopyranose structure. We use AMBER package program and GLYCAM_06 force field. Solvation model was used for the generalized Born model with Hawkins, Cramer, Truhlar has been proposed. We conclude that difference of contour map of two conditions is caused by solvation effect by reducing hydrogen bonding interaction.

• Bulletin of the Korean Chemical Society
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• v.25 no.9
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• pp.1346-1350
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• 2004

Pseudo-first order rate constants $(k_{obs})$ are reported for the following solvolyses in approximately isodielectric mixtures: 3- and 4-methoxybenzyl chloride, bromo- and chlorodiphenylmethane, and 4-chloro-, 4,4'-dichloro and 4-methyl-chlorodiphenylmethane in 0-80% v/v nitromethane-methanol mixtures; and bromo- and chlorodiphenylmethane and 4-methyl-chlorodiphenylmethane in various acetonitrile-methanol mixtures (in the range 0-50% v/v) at$25^{\circ}C.$ These data, and literature data for t-butyl halides (Cl, Br, and I), and for p-methoxybenzoyl chloride, show rate maxima in solvent compositions of ca. 30% aprotic cosolvent, explained by a stoichiometric solvent effect on electrophilic solvation. Linear relationships are observed between $(k_{obs})/[MeOH]^2$ and [AP]/[MeOH], where [AP] refers to the molar concentration of aprotic cosolvent. The results are consistent with competing third order contributions to $k_{obs}$, $k_{MM}[MeOH]^2$ with hydrogen-bonded methanol as electrophile, and $k_{MAP}[MeOH][AP]$ with hydrogen-bonding disrupted by the aprotic solvent.