• Applied Microscopy
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• 제47권3호
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• pp.105-109
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• 2017

The effect of temperature and vanadium metal concentration on the electronic and thermoelectric properties of Si in the diamond cubic structure has been investigated using a combination of density functional theory simulations and the semi classical Boltzmann's theory. The BotzTrap code within the constant relaxation time approximation has been used to obtain the Seebeck coefficient and other transport properties of interest for alloys of the structure $Si_{1-x}V_x$, where x is 0, 0.125, 0.25, 0.375, and 0.5. The thermoelectric properties have been extracted for a temperature range of 300 K to 1,000 K. The general trend with V atom substitution for Si causes the Seeback coefficient to increase and the thermal conductivity to decrease for the various alloys. The optimum values are for $Si_5V_3$ and $Si_4V_4$ alloys for charge carrier concentrations of $10^{21}cm^{-3}$ in the mid temperature range of 500~800 K. This is a very desirable effect for a promising thermoelectric and the figure of merit ZT approaches 0.2 at 600 K for the p-type $Si_5V_3$ alloy.

• 한국자기공명학회논문지
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• 제10권1호
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• pp.115-125
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• 2006

Hippuryl-L-histidyl-L-leucine(HHL) is widely used as a substrate of angiotensin converting enzyme(ACE) cleaving the neurotransmitter angiotensin(I) to the octapeptide angiotensin(II). The structure of the substrate molecules should provide information regarding the geometric requirements of the ACE active site. For the purpose of determination of in vivo reaction, metallo(Cu, Zn)-HHL complexes were synthesized and the degree of complex formation were identified by MALDITOF, ESI mass spectrometric analysis. Tn addition, the pH-dependent species distribution curves were obtained by potentiometric titration. Nitrogen atoms of imidazole ring and oxygen atom of caboxylate groups in the peptide chain were observed to be participated in the metal complex formation. After purification of complexes further structural characterization were made by utilizing UV-Vis, electrochemical methods and NMR. Complete NMR signal assignments were carried out by using 2D-spectrum techniques COSY, TOCSY, NOESY, HETCOR. A complex that two imidazole and carboxylate groups are asymmetrically participating to coordination mode was predicted to the solution-state structure of $Cu(II)-HHL_2$ based on $^{13}C-NMR$ signal assignment and NOE information.

• Journal of Applied Biological Chemistry
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• 제59권1호
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• pp.19-23
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• 2016

A phenol substance was extracted from Pinus koraiensis Siebold et Zucc leaf extracts and its biological efficacy was measured. The highest content of the phenol substance contained in Pinus koraiensis Siebold et Zucc leaves was 13.5 mg/g, which was obtained when it was extracted with 80% ethanol. At a concentration of 200 mg/mL, the phenolic substances extracted with 80% ethanol and water showed antimicrobial activities against Helicobacter pylori, producing clear zones of 10 and 12 mm diameter, respectively. Pinus koraiensis Siebold et Zucc. leaf extracts were separated using a Sephadex LH-20 column and 4 fractions were obtained (fractions A-D). Fractions C and D showed the greatest inhibitory activity against Helicobacter pylori producing 10.1 and 12.3 mm clear zones, respectively. These two fractions were purified using a Sephadex LH-20 and MCI-gel column ($H_2O{\rightarrow}100%$ ethanol). Purified compounds A and B were identified as syringic acid and compound C was identified as p-coumaric acid based on $^1H$-nuclear magnetic resonance (NMR), $^{13}C$-NMR, and fast atom bombardment mass spectrometry spectra. When two or more purified compounds were mixed, a synergistic effect of anti-Helicobacter pylori activity was evident. This result indicates that extracts of Pinus koraiensis Siebold et Zucc leaves could be considered a functional food because of their high antimicrobial properties.

• Bulletin of the Korean Chemical Society
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• 제28권12호
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• pp.2271-2278
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• 2007

Electron transfer of a redox protein at a bare gold electrode is too slow to observe the redox peaks. A novel Nafion-riboflavin functional membrane was constructed during this study and electron transfer of cytochrome c, superoxide dismutase, and hemoglobin were carried out on the functional membrane-modified gold electrode with good stability and repeatability. The immobilized protein-modified electrodes showed quasireversible electrochemical redox behaviors with formal potentials of 0.150, 0.175, and 0.202 V versus Ag/AgCl for the cytochrome c, superoxide dismutase and hemoglobin, respectively. Whole experiment was carried out in the 50 mM MOPS buffer solution with pH 6.0 at 25 oC. For the immobilized protein, the cathodic transfer coefficients were 0.67, 0.68 and 0.67 and electron transfer-rate constants were evaluated to be 2.25, 2.23 and 2.5 s?1, respectively. Hydrogen peroxide concentration was measured by the peroxidase activity of hemoglobin and our experiment revealed that the enzyme was fully functional while immobilized on the Nafion-riboflavin membrane.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3738-3742
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• 2013

The reaction mechanism of $SiF_2$ radical with HNCO has been investigated by the B3LYP method of density functional theory(DFT), while the geometries and harmonic vibration frequencies of reactants, intermediates, transition states and products have been calculated at the B3LYP/$6-311++G^{**}$ level. To obtain more precise energy result, stationary point energies were calculated at the CCSD(T)/$6-311++G^{**}$//B3LYP/$6-311++G^{**}$ level. $SiF_2+HNCO{\rightarrow}IM3{\rightarrow}TS5{\rightarrow}IM4{\rightarrow}TS6{\rightarrow}OSiF_2CNH(P3)$ was the main channel with low potential energy, $OSiF_2CNH$ was the main product. The analyses for the combining interaction between $SiF_2$ radical and HNCO with the atom-in-molecules theory (AIM) have been performed.

• 한국결정학회지
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• 제11권1호
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• pp.28-33
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• 2000

The slow of 2,3-bis(2-pyridyl)pyarzine(bpp) with Ag(CF₃CO₂) produces crystalline product suitable for X-ray crystallography. Crystallographic characterization of the crystal (C/sub 32/H/sub 20/-F/sub 6/N/sub 8/O₄Ag₂: triclinic P1, a=8.518(5)Å, b=9.546(2)Å, c=10.632(1)Å, α=81.11(1)°, β=87.61(3)°, γ=75.66(3)°, V=827.5(5)ų, Z=1, R=0.0431) has provided that the complex is a cyclic dimer [Ag(bpp)(CF₃CO₂)]₂. Each bpp ligand connects two tetrahedral silver(I) ions in a tridentate mode (Ag-N, 2.26()-2.43(2)Å), and the trifluoroacetato anion is bonded to each silver(I) atom in a monodentate fashion (Ag-O, 2.38(1); 2.39(2) Å). The skeletal cyclic dimer is stable up to 212℃, and drastically decomposes around this temperature.

• 한국결정성장학회지
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• 제5권4호
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• pp.370-377
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• 1995

우주 항공 기술의 첨단인 Space Shuttle Orbiter(SSO)의 두 coating material 인 Reaction Cured Glass(RCG)와 Spinel(C742)을 제조하여, 표면 위에 부딪히는 원자들의 재결합 가능성 $\gamma$를 확산반응기에서 측정하였다. SSO의 재진입 온도인 약 1000K에서 C742의 산소 원자들의 재결합 가능성 $\gamma$는 $3 {\times} 10^{-2}$으로 RCG에서의 $4 {\times} 10^{-4}$ 보다는 더 큰 값을 갖는다. C742에서 $\gamma$값이 더 높다는 것은 RCG에서 보다 더 많은 활성점을 갖고 있다는 것을 의미한다. 낮은 온도에서 활성점에 있는 원자의 탈착을 유도함으로써 보다 활성이 낮은 표면 코팅 재료를 개발할 수 있다.

• 한국태양에너지학회:학술대회논문집
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• 한국태양에너지학회 2012년도 춘계학술발표대회 논문집
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• pp.406-409
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• 2012

Recently, enormous research efforts have been focused on the development of non-precious catalysts to replace Pt for electrocatalytic oxygen reduction reaction (ORR), and to reduce the cost of proton exchange membrane fuel cells (PEMFCs). In recent years, heteroatom (N, B, and P) doped carbon nanostructures have been received enormous importance as a non-precious electrode materials for oxygen reduction. Doping of foreign atom into carbon is able to modify electronic properties of carbon materials. In this study, nitrogen and boron doped carbon nanostructures were synthesized by using a facile and cost-effective thermal annealing route and prepared nanostructures were used as a non-precious electrocatalysts for the ORR in alkaline electrolyte. The nitrogen doped carbon nanocapsules (NCNCs) exhibited higher activity than that of a commercial Pt/C catalyst, excellent stability and resistance to methanol oxidation. The boron-doped carbon nanostructure (BC) prepared at $900^{\circ}C$ showed higher ORR activity than BCs prepared lower temperature (800, $700^{\circ}C$). The heteroatom doped carbon nanomaterials could be promising candidates as a metal-free catalysts for ORR in the PEMFCs.

• Bulletin of the Korean Chemical Society
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• 제23권3호
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• pp.395-399
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• 2002

The voltammetric behavior of spontaneously adsorbing Mo layers on Pt(111) and Pt(100) electrodes has been studied to estimate the number of electrons involved in the electrochemical processes of spontaneously adsorbed Mo and the number of the bloc ked Pt sites for hydrogen adsorption. On Pt(111) and Pt(100) surfaces, the spontaneously adsorbed Mo layers showed redox peaks at 0.10 V and 0.15 V, respectively, and continuous current-potential waves in the conventional hydrogen region. Since the potential range of the Mo redox processes on both surfaces overlapped partially with the potential range of hydrogen adsorption, the variation in the ratio of the total charge of Mo and H ($Q_H$ +$Q_{MO}$) to the hydrogen charge of clean Pt electrode ($Q_H^0$) was analyzed. From the analysis, six electrons were estimated to be involved in the electrochemical processes of the spontaneously adsorbed Mo, and four Pt sites for hydrogen adsorption were calculated to be blocked by one adsorbed Mo atom. Based on these figures and the pH dependence of the Mo redox processes, we have proposed an electrochemical equation for the spontaneously adsorbed Mo. This electrochemical equation led us to conclude that the saturation coverage of the spontaneously adsorbed Mo is 0.25. The coverage of Mo less than 0.25, however, could not be determined voltammetrically due to the convolution of the charges of Mo and H.

• 자원환경지질
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• 제29권1호
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• pp.1-11
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• 1996

Magnetite ores of the Janggun mine are embedded in dolomitic limestone of the Janggun Limestone Formation contacting with Chunyang granite, and are closely associated with skarn minerals. Mineralization of magnetite deposits can be divided into two stages as deep-seated skarn stage and shallow hydrothermal replacement stage. Mineralogies of skarn stage consist of magnetite, pyrrhotite and base-metal sulfides, and those of hydrothermal stage is base-metal sulfides, native bismuth, bismuthinite, tetrahedrite, boulangerite, bournonite and stannite. The FeS mole % in sphalerite and As atom % in arsenopyrite range from 22.47 to 26.30 and from 31.39 to 31.66 in skarn stage, and are from 17.54 to 32.54 and 28.87 to 30.70 in hydrothermal stage, respectively. Based on mineralization characteristics, mineral assemblages, chemical compositions and thermodynamic considerations, formation temperatures, sulfur fugacities ($-logf_2$), pH and oxygen fugacity ($-logfo_2$) estimated to be from 345 to $382^{\circ}C$, from 8.1 to 9.7atm, from 6.5 to 7.2 and from 30.5 to 31.2atm in the skarn stage, respectively, and temperature and $-logfs_2$ are from 245 to $315^{\circ}C$ and from 10.4 to 13.2atm in the hydrothermal stage.