• Korean Journal of Materials Research
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• v.18 no.6
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• pp.339-346
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• 2008

Single-crystal $ZnIn_2S_4$ layers were grown on a thoroughly etched semi-insulating GaAs (100) substrate at $450^{\circ}C$ with a hot wall epitaxy (HWE) system by evaporating a $ZnIn_2S_4$ source at $610^{\circ}C$. The crystalline structures of the single-crystal thin films were investigated via the photoluminescence (PL) and Double-crystal X-ray rocking curve (DCRC). The temperature dependence of the energy band gap of the $ZnIn_2S_4$ obtained from the absorption spectra was well described by Varshni's relationship, $E_g(T)=2.9514\;eV-(7.24{\times}10^{-4}\;eV/K)T2/(T＋489K)$. After the as-grown $ZnIn_2S_4$ single-crystal thin films was annealed in Zn-, S-, and In-atmospheres, the origin-of-point defects of the $ZnIn_2S_4$ single-crystal thin films were investigated via the photoluminescence (PL) at 10 K. The native defects of $V_{Zn}$, $V_S$, $Zn_{int}$, and $S_{int}$ obtained from the PL measurements were classified as donor or acceptor types. Additionally, it was concluded that a heat treatment in an S-atmosphere converted $ZnIn_2S_4$ single crystal thin films into optical p-type films. Moreover, it was confirmed that In in $ZnIn_2S_4$/GaAs did not form a native defects, as In in $ZnIn_2S_4$ single-crystal thin films existed in the form of stable bonds.

• Applied Biological Chemistry
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• v.29 no.3
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• pp.279-287
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• 1986

The changes in peroxidase activity and its isozyme pattern in the different parts of mung bean sprout were investigated; The enzyme activity in cotyledon and root showed a tendency to increase at an early stage and then decreased gradually as germination continued. However, the crude homogenate of epicotyl and hypocotyl showed a continuous decline in the enzyme activity. In particular, the enzyme activity of the root was $1.5{\sim}3.5$ times higher than that of other parts. Gel electrophoresis of the crude homogenate revealed that the number of isozyme in every part of the mung bean sprout increase during germination up to 6th days. Two isozymes from root were partially purified by ammonium sulfate fractionation, gel filtration by Sephadex G-75 and DEAE cellulose column chromatography. One of the isozymes (A) was purified 16-fold by the present procedure, but the purity of the other isosyme (B) was not increased , significantly. Isozyme A was the most active at $65^{\circ}C$ and isozyme B at $70^{\circ}C$, while both isozyme (A, B) have a optimal pH of 5.6. The Km values of isozyme A and B for 0-dianisidine as a hydrogen donor determined to be 0.071 mM and 0.052mM, respectively, and those for isozyme A and B using $H_2O_2$ as a hydrogen acceptor were 0.28mM and 0.23mM, respectively.

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1707-1714
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• 2012

Grb2 is an adapter protein involved in the signal transduction and cell communication. The Grb2 is responsible for initiation of kinase signaling by Ras activation which leads to the modification in transcription. Ligand based pharmacophore approach was applied to built the suitable pharmacophore model for Grb2. The best pharmacophore model was selected based on the statistical values and then validated by Fischer's randomization method and test set. Hypo1 was selected as a best pharmacophore model based on its statistical values like high cost difference (182.22), lowest RMSD (1.273), and total cost (80.68). It contains four chemical features, one hydrogen bond acceptor (HBA), two hydrophobic (HY), and one ring aromatic (RA). Fischer's randomization results also shows that Hypo1 have a 95% significant level. The correlation coefficient of test set was 0.97 which was close to the training set value (0.94). Thus Hypo1 was used for virtual screening to find the potent inhibitors from various chemical databases. The screened compounds were filtered by Lipinski's rule of five, ADMET and subjected to molecular docking studies. Totally, 11 compounds were selected as a best potent leads from docking studies based on the consensus scoring function and critical interactions with the amino acids in Grb2 active site.

• Journal of the Mineralogical Society of Korea
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• v.15 no.3
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• pp.231-240
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• 2002

Microbial metal reduction influences the biogeochemical cycles of carbon and metals as well as plays an important role in the bioremediation of metals, radionuclides, and organic contaminants. The use of bacteria to facilitate the production of magnetite nanoparticles and the formation of carbonate minerals may provide new biotechnological processes for material synthesis and carbon sequestration. Metal-reducing bacteria were isolated from a variety of extreme environments, such as deep terrestrial subsurface, deep marine sediments, water near Hydrothemal vents, and alkaline ponds. Metal-reducing bacteria isolated from diverse extreme environments were able to reduce Fe(III), Mn(IV), Cr(VI), Co(III), and U(VI) using short chain fatty acids and/or hydrogen as the electron donors. These bacteria exhibited diverse mineral precipitation capabilities including the formation of magnetite ($Fe_3$$O_4$), siderite ($FeCO_3$), calcite ($CaCO_3$), rhodochrosite ($MnCO_3$), vivianite [$Fe_3$($PO_4$)$_2$ .$8H_2$O], and uraninite ($UO_2$). Geochemical and environmental factors such as atmospheres, chemical milieu, and species of bacteria affected the extent of Fe(III)-reduction as well as the mineralogy and morphology of the crystalline iron mineral phases. Thermophilic bacteria use amorphous Fe(III)-oxyhydroxide plus metals (Co, Cr, Ni) as an electron acceptor and organic carbon as an electron donor to synthesize metal-substituted magnetite. Metal reducing bacteria were capable of $CO_2$conversion Into sparingly soluble carbonate minerals, such as siderite and calcite using amorphous Fe(III)-oxyhydroxide or metal-rich fly ash. These results indicate that microbial Fe(III)-reduction may not only play important roles in iron and carbon biogeochemistry in natural environments, but also be potentially useful f3r the synthesis of submicron-sized ferromagnetic materials.

• BMB Reports
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• v.38 no.5
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• pp.609-618
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• 2005

$\gamma$-Glutamyl transpeptidase (GGT, EC 2.3.2.2.) catalyzes the transfer of the $\gamma$-glutamyl moiety from $\gamma$-glutamyl containing ompounds, notably glutathione (GSH), to acceptor amino acids and peptides. A second gene (GGTII) encoding GGT was previously isolated and characterized from the fission yeast Schizosaccharomyces pombe. In the present work, the GGTII-lacZ fusion gene was constructed and used to study the transcriptional regulation of the S. pombe GGTII gene. The synthesis of $\beta$-galactosidase from the GGTII-lacZ fusion gene was significantly enhanced by NO-generating SNP and hydrogen peroxide in the wild type yeast cells. The GGTII mRNA level was increased in the wild-type S. pombe cells treated with SNP. However, the induction by SNP was abolished in the Pap1-negative S. pombe cells, implying that the induction by SNP of GGTII is mediated by Pap1. Fermentable carbon sources, such as glucose (at low concentrations), lactose and sucrose, as a sole carbon source, enhanced the synthesis of $\beta$-galactosidase from the GGTII-lacZ fusion gene in wild type KP1 cells but not in Pap1-negative cells. Glycerol, a non-fermentable carbon source, was also able to induce the synthesis of $\beta$-galactosidase from the fusion gene, but other non-fermentable carbon sources such as acetate and ethanol were not. Transcriptional induction of the GGTII gene by fermentable carbon sources was also confirmed by increased GGTII mRNA levels in the yeast cells grown with them. Nitrogen starvation was also able to induce the synthesis of $\beta$-galactosidase from the GGTII-lacZ fusion gene in a Pap1-dependent manner. On the basis of the results, it is concluded that the S. pombe GGTII gene is regulated by oxidative and metabolic stress.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.143-144
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• 2010

3-5족 화합물 반도체를 이용한 집광형 삼중 접합 태양전지는 40% 이상의 광변환 효율로 많은 주목을 받고 있다[1]. 삼중 접합 태양전지의 하부 셀은 기계적 강도가 높고 장파장을 흡수할 수 있는 Ge이 사용된다. Ge위에 성장될 III-V족 단결정막으로서 Ge과 격자상수가 일치하는 GaInP나 GaAs가 적합하고, 성장 중 V족 원소의 열확산으로 인해 Ge과 pn접합을 형성하게 된다. 이때 GaInP의 P의 경우 GaAs의 As보다 확산계수가 낮아 태양전지 변환효율향상에 유리한 얇은 접합 형성이 가능하고, 표면 에칭효과가 적기 때문에 GaInP를 단결정막으로 선택하여 p-type Ge기판 위 성장으로 단일접합 Ge구조 제작이 가능하다. 하지만 이종접합 구조 성장으로 인해 발생한 계면사이의 전위나 미세결함들이 결정막내부에 존재하게 되며 이러한 결함들은 광학소자 응용 시 비발광 센터로 작용할 뿐 아니라 소자의 누설전류를 증가시키는 원인으로 작용하여 태양전지 변환효율을 감소시키게 된다. 이에 결함감소를 통해 소자의 전기적 특성을 향상시키고자 수소 열처리나 플라즈마 공정을 통해 수소 원자를 박막내부로 확산시키고, 계면이나 박막 내 결함들과 결합시킴으로서 결함들의 비활성화를 유도하는 연구가 많이 진행되어 왔다 [2][3]. 하지만, 격자불일치를 갖는 GaInP/Ge 구조에 대한 수소 열처리 및 불순물 준위의 거동에 대한 연구는 많이 진행되어 있지 않다. 따라서 본 연구에서는 Ga0.45In0.55P/Ge구조에 수소 열처리 공정을 적용을 통하여 단결정막 내부 및 계면에서의 결함밀도를 제어하고 이를 통해 태양 전지의 변환효율을 향상시키고자 한다. <111> 방향으로 $6^{\circ}C$기울어진 p-type Ge(100) 기판 위에 유기금속화학증착법 (MOCVD)을 통해 Si이 도핑된 200 nm의 n-type GaInP층을 성장하여 Ge과 단일접합 n-p 구조를 제작하였다. 제작된 GaInP/Ge구조를 furnace에서 250도에서 90~150분간 시간변화를 주어 수소열처리 공정을 진행하였다. 저온 photoluminescence를 통해 GaInP층의 광학적 특성 변화를 관찰한 결과, 1.872 eV에서 free-exciton peak과 1.761 eV에서 Si 도펀트 saturation에 의해 발생된 D-A (Donor to Acceptor)천이로 판단되는 peak을 검출할 수 있었다. 수소 열처리 시간이 증가함에 따라 free-exciton peak 세기 증가와 반가폭 감소를 확인하였고, D-A peak이 사라지는 것을 관찰할 수 있었다. 이러한 결과는 수소 열처리에 따른 단결정막 내부의 수소원자들이 얕은 불순물(shallow impurity) 들로 작용하는 도펀트들이나, 깊은 준위결함(deep level defect)으로 작용하는 계면근처의 전위, 미세결함들과의 결합으로 결함 비활성화를 야기해 발광세기와 결정질 향상효과를 보인 것으로 판단된다. 본 발표에서는 상술한 결과를 바탕으로 한 수소 열처리를 통한 박막 및 계면에서의 결함준위의 거동에 대한 광분석 결과가 논의될 것이다.

• The Korean Journal of Pesticide Science
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• v.11 no.1
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• pp.8-17
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• 2007

Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the fungicidal activity against damping-off (Pythium ultimum) with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-34) were studied quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indeces analysis) methodologies. On the whole, the statistical qualities of CoMSIA models with field fit alignment (FF1-FF5) were slightly higher than that of atom based fit alignment (AF1-AF5) but, the deviations of statistical quality between two alignments in case of CoMFA models were slightly lower. The statistical results of CoMFA and CoMSIA model showed that the optimized CoMSIA model (FF1: $r_{cv.}^2\;(q^2)=0.674$ & $r_{ncv.}^2=0.964$) for damping-off is better predictability and fitness for fungicidal activities than CoMFA model (AF5: $r_{cv.}^2\;(q^2)=0.616$ & $r_{ncv.}^2=0.930$). The fungicidal activities according to the information of the CoMSIA (FF1) model were dependence upon the electrostatic and hydrophobic field of the N-phenylbenzene sulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with CoMSIA (FF3) model, it is expected that the characters of R4-substituent on the N-phenyl ring as hydrophobic and hydrogen bond acceptor will be contributed to the fungicidal activity against damping-off.

• Bulletin of the Korean Chemical Society
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• v.31 no.1
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• pp.52-58
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• 2010

Human histamine H1 receptor (HHR1) is a G protein-coupled receptor and a primary target for antiallergic therapy. Here, the ligand-based three-dimensional pharmacophore models were built from a set of known HHR1 inverse agonists using HypoGen module of CATALYST software. All ten generated pharmacophore models consist of five essential features: hydrogen bond acceptor, ring aromatic, positive ionizable and two hydrophobic functions. Best model had a correlation coefficient of 0.854 for training set compounds and it was validated with an external test set with a high correlation value of 0.925. Using this model Maybridge database containing 60,000 compounds was screened for potential leads. A rigorous screening for drug-like compounds unveiled RH01692 and SPB00834, two novel molecules for HHR1 with good CATALYST fit and estimated activity values. The new lead molecules were docked into the active site of constructed HHR1 homology model based on recently crystallized squid rhodopsin as template. Both the hit compounds were found to have critical interactions with Glu177, Phe432 and other important amino acids. The interpretations of this study may effectively be deployed in designing of novel HHR1 inverse agonists.

• The Korean Journal of Pesticide Science
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• v.6 no.3
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• pp.209-217
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• 2002

Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.

• Applied Biological Chemistry
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• v.47 no.4
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• pp.414-421
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• 2004

3D QSAR studies for protox inhibition activities against root and shoot of the rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli) by a series of new 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene derivatives were conducted based on the results (Sung, N. D. et al.'s, (2004) J. Korean Soc. Appl. Biol. Chem. 47(3), 351-356) using comparative molecular similarity indices analysis (CoMSIA) methodology. Four CoMSIA models, without hydrogen bond donor field for the protox inhibition activities against root and shoot of the two plants, were derived from the combination of several fields using steric field, hydrophobic field, hydrogen bond acceptor field, LUMO molecular orbital field, dipole moment (DM) and molar refractivity (MR) as additional descriptors. The predictabilities and fitness of CoMSIA models for protox inhibition activities against barnyard-grass were higher than that of rice plant. The statistical results of these models showed the best predictability of the protox inhibition activities against barnyard-grass based on the cross-validated value $r^2\;_{cv}\;(q^2=0.635{\sim}0.924)$, non cross-validated, conventional coefficient $r^2\;_{ncv.}$ value $(r^2=0.928{\sim}0.977)$ and PRESS value $(0.255{\sim}0.273)$. The protox inhibition activities exhibited a strong correlation with the steric $(5.4{\sim}15.7%)$ and hydrophobic $(68.0{\sim}84.3%)$ factors of the molecules. Particularly, the CoMSIA models indicated that the groups of increasing steric bulk at ortho-position on the C-phenyl ring will enhance the protox inhibition activities against barnyard-grass and subsequently increase the selectivity.