• Bulletin of the Korean Chemical Society
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• 제10권5호
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• pp.443-447
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• 1989

The mechanism on the oxidative addition reaction of $(TBA)_2\;Pt(CN)_4$ with $Cl_2$ has been studied by means of extended Huckel calculations. Among two possible mechanisms, computational calculations demonstrated that the linear approach of $Cl_2$ to a $Pt(CN)_4$ moiety is more favourable than three-centered transition state. From our calculations, the most stable process is that a $Pt(CN)_4$ moiety interacts with $Cl_2$ in the linear transition state and the cleavage of Cl-Cl bond in a coordinated halogen occurred spontaneously, giving rise to a trans product by back-attacking a $Pt(CN)_4Cl$ moiety by Cl. The process consists of the comparison in the stability of each intermediate with use of bonding and potential energy.

• 한국표면공학회지
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• 제54권6호
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• pp.307-314
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• 2021

Diamond-like carbon (DLC) is difficult to achieve sufficient adhesion because of weak bonding between DLC film and the substrate. The purpose of this study is to improve the adhesion between substrate and DLC film. DLC film was deposited on AISI H13 using linear ion source. To improve adhesion, the substrate was treated by dual post plasma nitriding. In order to define the mechanism of the improvement in adhesive strength, the gradient layer between substrate and DLC film was analyzed by Glow Discharge Spectrometer (GDS) and Scanning Electron Microscope (SEM). The microstructure of the DLC film was analyzed using a micro Raman spectrometer. Mechanical properties were measured by nano-indentation, micro vickers hardness tester and tribology tester. The characteristic of adhesion was observed by scratch test. The adhesion of the DLC film was enhanced by active screen plasma nitriding layer.

• 한국염색가공학회지
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• 제31권2호
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• pp.107-117
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• 2019

In case of pure rubber materials, the initial quality of the rubber materials would be excellent, however, the durability against external impact might be poor. In order to overcome the relatively low durability, textile cord could be employed with silicone rubber. We have studied the improvement of heat-resistant adhesion properties of silicone adhesives between silicone rubber and PET fibers by applying various conditions including dip solution recipe. The silicone rubber used was a platinum catalyst curing type and platinum catalyst type silicone adhesive was used as an adhesive to obtain an optimum adhesive force. Furthermore, the bonding mechanism between silicone and PET fiber was established.

• 한국염색가공학회지
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• 제17권2호
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• pp.10-18
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• 2005

Silk fabrics mordanted with $Fe^{2+},\;Ni^{2+},\;and\;Cu^{2+}$ were dyed with the aqueous extract of Cassia tora L. seed which was known to include water soluble colorant kaempferol, one of flavonol compounds. Kaempferol can react with free radicals and chelate transition metal ions, which is thought to catalyze processes leading to the appearance of free radicals and have antioxidant activity. In relation to the coordinating and chelating mechanism of the ions with the silk protein and kaempferol, reasonable conclusions should be made on the colorant uptake and the water fastness of the fabric. The amount of the colorant on the fabric was in the order of $Fe^{2+}>Ni^{2+}>Cu^{2+}$. In case of dyeing through coordinaiton bonds between transition metal ions and silk protein and colorants, it was thought that the ions with the smaller secondary hydration shell, the higher preference to the atoms of the ligand coordinated, and the suitable bonding stability for the substitution of primarily hydrated water molecules for colorants led to the higher colorant uptake. The water fastnsess of the fabric was in the order of $Fe^{2+}>Cu^{2+}>Ni^{2+}$. It should be reasonable to choose transition metal ions with weak and strong tendency to the ionic and the coordination bond, respectively, to the carboxylate anion of the silk protein. Although further research needs to be done, the conclusions above may be generally applied to the natural dyeing through the coordination bond mechanism between transition metal ions and colorants and substrates.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2017년도 제48회 춘계학술대회논문집
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• pp.168-171
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• 2017

X-ray photoelectron spectroscopy(XPS) 분석법을 이용하여 FKM O-ring의 대기중에서의 노화 메카니즘을 관찰하였다. FKM O-ring은 선경 3.53mm, 내경 91.67mm인 오링을 시편으로 사용하였다. 노화 후 FKM O-ring의 oxygen 원소의 농도가 20.39%로 증가하였으며, fluorine 원소는 각각 8.29%로 감소하는 경향을 나타내었다. 이를 통하여 산소에 의한 산화 반응이 FKM O-ring의 주요 노화 반응으로 나타났다. C1s와 F1s 피크 분석 결과, FKM O-ring의 주쇄중 C-F 결합에서 산화 반응이 주로 진행되는 것으로 나타났다. 또한 O1s 피크 분석 결과, 산화 반응을 통하여 C-OH, C=O, 그리고 O=C-O 구조를 형성하며, 주로 카르복실기가 생성되는 것으로 나타났다.

• Journal of Ginseng Research
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• 제47권2호
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• pp.228-236
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• 2023

Background: QiShen YiQi pills (QSYQ) is a Traditional Chinese Medicine (TCM) formula, which has a significant effect on the treatment of patients with myocardial infarction (MI) in clinical practice. However, the molecular mechanism of QSYQ regulation pyroptosis after MI is still not fully known. Hence, this study was designed to reveal the mechanism of the active ingredient in QSYQ. Methods: Integrated approach of network pharmacology and molecular docking, were conducted to screen active components and corresponding common target genes of QSYQ in intervening pyroptosis after MI. Subsequently, STRING and Cytoscape were applied to construct a PPI network, and obtain candidate active compounds. Molecular docking was performed to verify the binding ability of candidate components to pyroptosis proteins and oxygen-glucose deprivation (OGD) induced cardiomyocytes injuries were applied to explore the protective effect and mechanism of the candidate drug. Results: Two drug-likeness compounds were preliminarily selected, and the binding capacity between Ginsenoside Rh2 (Rh2) and key target High Mobility Group Box 1 (HMGB1)was validated in the form of hydrogen bonding. 2 μM Rh2 prevented OGD-induced H9c2 death and reduced IL-18 and IL-1β levels, possibly by decreasing the activation of the NLRP3 inflammasome, inhibiting the expression of p12-caspase1, and attenuating the level of pyroptosis executive protein GSDMD-N. Conclusions: We propose that Rh2 of QSYQ can protect myocardial cells partially by ameliorating pyroptosis, which seems to have a new insight regarding the therapeutic potential for MI.

• Bulletin of the Korean Chemical Society
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• 제30권9호
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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.

• 펄프종이기술
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• 제43권4호
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• pp.49-58
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• 2011

The maximum drying shrinkage velocity was proposed to verify bulk and stiffness improvement mechanism during drying according to papermaking parameters. It was based on the wet-web shrinkage behavior without the restraint of wet-web during drying, so intact drying impact could be measured. Bulking agent reduced the drying shrinkage and the maximum drying shrinkage velocity, so paper bulk increased and paper strength decreased. When adding cationic starch to stock with the bulking agent for strengthening, the bulk was increased further with additional decreasing of the drying shrinkage and the maximum drying shrinkage velocity. Paper strength also increased except tensile stiffness index with decreasing the drying shrinkage and the maximum drying shrinkage velocity. When using additional strength additives for strengthening of fiber interfaces extended by bulking agent and cationic starch, amphoteric strength additive increased paper stiffness without loss of paper bulk. It was considered that the added amphoteric strength additives were cross-linked to the stretched cationic starch and this cross-linking increased elasticity of fiber-polymer-fiber interfaces without changing the drying behavior. Paper bulk could be increased with decreasing the maximum drying shrinkage velocity. The drying shrinkage of paper also could be controlled by fiber-to-fiber bonding interfaces by the bulking agent. In this case, paper strength including stiffness was decreased by reducing fiber-to-fiber bonding but it could be improved by strengthening fiber-to-fiber interfaces with polymer complex without loss of bulk.

• Bulletin of the Korean Chemical Society
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• 제29권9호
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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.

• International Journal of Internet, Broadcasting and Communication
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• 제7권1호
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• pp.75-92
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• 2015

This paper presents the application of the bond valence method to estimate the valence charge distribution in several perovskite systems: $La_{{\tilde{1}}x}Pb_xMnO_3$ (x=0.1-0.5), $La_{0.6}Sr_{0.{\tilde{4}}x}Ti_xMnO_3$ (x=0.0-0.25) and $La_{{\tilde{1}}x}Sr_xCoO_3$ (x=0.1-0.5); the reviewing of their crystal structures is also incorporated. The results showed the failure of the elastic bonding mechanism in all studied systems and revealed the general deficit of the valence charge in their unit cells. This valence deficit was not associated with the structural defects and was not equally localized in all coordination spheres. As the content of substitution increased, the charge deficit declined systematically from balanced level, signifying the transfer of valence charge from the ${\tilde{B}}O_6$ to ${\tilde{A}}O_{12}$ spheres. This transfer depended on the valence deviation of spheres and the average reached near 2 electron per unit cell. The possible impact of the limitted accuracy of the available structural data on the bond valence results has also been considered.