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Ni-Co 합금강의 기계적 특성에 대한 탄소함량의 영향
최병기(Byung-Ky Choi),장경천(Kyeung-Cheun Jang),최병희(Byung-Hui Choi),이기안(Kee-Ahn Lee) 한국생산제조학회 2006 한국생산제조학회지 Vol.15 No.5
This study was to evaluate the effect of carbon content on metallic change and fatigue characteristics with Fe-29%Ni-17%Co, low heat expansion alloy, widely using electronic components, precision machines, and sealing with glass and metal etc. The steels were fabricated with variation of carbon content, 0, 0.03, 0.06, 0.1, and 0.20% with VIM and tensile test and fatigue test were performed to achieve the above purpose. The more carbon content, the higher hardness value and yield strength. But elongation of 0.03%C, 0.06%C, and 0.10%C specimen decreased about 2.2%, 1.5% and 0.8% respectively more than that of the base metal. Especially the strength and elongation of 0.20%C specimen increased simultaneously about 14.4% and 7.5%. Fatigue life of 0.03%C specimen decreased but the more carbon content, the higher fatigue life over 0.06% carbon content more than that of base metal.
Investigation of the Protonated State of HIV-1 Protease Active Site
Nam, Ky-Youb,Chang, Byung-Ha,Han, Cheol-Kyu,Ahn, Soon-Kil,No, Kyoung-Tai Korean Chemical Society 2003 Bulletin of the Korean Chemical Society Vol.24 No.6
We have performed ab initio calculation on the active site of HIV-1 protease. The FEP method was used to determine the binding free energy of four different of protonated states of HIV-1 protease with inhibitor. The structure of the active site and hole structure was taken from the X-ray crystallographic coordinates of the C₂ symmetric inhibitor A74704 protease bound. The active site was modeled with the fragment molecules of binding pocket, acetic acid/ acetate anion (Asp25, Asp125), formamide (amide bond of Thr26/Gly27, Thr126/ Gly127), and methanol as inhibitor fragment. All possibly protonated states of the active site were considered, which were diprotonated state (0, 0), monoprotonated (-1, 0),(0, -1) and diunprotonated state (-1, -1). Once the binding energy Debind, of each model was calculated, more probabilistic protonated states can be proposed from binding energy. From ab-initio results, the FEP simulations were performed for the three following mutations: Ⅰ) Asp25 … Asp125 → AspH25 … Asp125, ⅱ) Asp25 … Asp125 → Asp25 … AspH125, ⅲ) AspH25 … Asp125 → AspH25 … AspH125. The free energy difference between the four states gives the information of the more realistic protonated state of active site aspartic acid. These results provide a theoretical prediction of the protonation state of the catalytic aspartic residues for A74707 complex, and may be useful for the evaluation of potential therapeutic targets.