• 한국물환경학회지
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• 제23권2호
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• pp.184-187
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• 2007

The compositional and morphological analyses have been carried out by employing XRD, EPMA, and SEM for the black-colored precipitate which is formed on the surface of heating appliances by heating tap water. XRD analysis has showed that the precipitate was mainly composed of calcium carbonate with a crystal structure of calcite. Also, small amounts of precipitate by SEM showed that the microscopic shape of the precipitate was usually angular spherical.

• Molecules and Cells
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• 제38권12호
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• pp.1086-1095
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• 2015

The psychrophilic organism Colwellia psychrerythraea strain 34H produces extracellular polysaccharide substances to tolerate cold environments. Sedoheptulose 7-phosphate isomerase (GmhA) is essential for producing $\small{D}$-glycero-$\small{D}$-mannoheptose 7-phosphate, a key mediator in the lipopolysaccharide biosynthetic pathway. We determined the crystal structure of GmhA from C. psychrerythraea strain 34H (CpsGmhA, UniProtKB code: Q47VU0) at a resolution of $2.8{\AA}$. The tetrameric structure is similar to that of homologous GmhA structures. Interestingly, one of the catalytic residues, glutamate, which has been reported to be critical for the activity of other homologous GmhA enzymes, is replaced by a glutamine residue in the CpsGmhA protein. We also found differences in the conformations of several other catalytic residues. Extensive structural and sequence analyses reveal that CpsGmhA shows high similarity to Escherichia coli DnaA initiatorassociating protein A (DiaA). Therefore, the CpsGmhA structure reported here may provide insight into the structural and functional correlations between GmhA and DiaA among specific microorganisms.

• 대한화학회지
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• 제29권2호
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• pp.104-110
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• 1985

Empirical force-field 방법을 중성자 회절 방법으로 분자구조가 밝혀진 D-sorbitol, CH_2OH\;(CHOH)_4\;CH_2OH$에 적용하여 비교 연구하였다. C-C결합 길이는 계산값과 실험값이 0.009${\AA}$ 내에서 C-O 결합 길이는 0. 023${\AA}$내에서 일치하는 좋은 결과를 얻었다. C-C-C 와 C-C-O 결합 각도는 각각 $2.3^{\circ}$와 $1.9^{\circ}$이내에서 일치하였으나 crystal packing force의 영향을 많이 받고 있는 torsion angle은 상당한 차이가 있었다. C(1)-C(2)-C(3)-C(4) torsion angle을 규칙적으로 변화시키면서 steric 에너지를 연구한 결과 분자의 최저 에너지는 ${\phi}$=+$90^{\circ}$부근에서 나타나 회절법에 의한 결정 구조와는 다른 결과를 얻었다. 그러나 C-O, O-H, O-lone-pair dipole들 간의 상호작용을 무시하면 ${\phi}$=-$60^{\circ}$부근에서 최저에너지를 나타내어 결정구조와 일치 하였다. Empirical force-field 방법의 dipole 상호작용에 관한 에너지항을 개선하면 더 좋은 결과를 얻을 수 있을 것으로 예측 한다.

• Bulletin of the Korean Chemical Society
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• 제27권11호
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• pp.1747-1751
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• 2006

The dinuclear tetraazadiphenol macrocyclic nickel(II) complexes [$Ni_2$([20]-DCHDC)]$Cl_2$ (I), [$Ni_2$([20]-DCHDC)]$(ClO_4)_2{\cdot}2CH_3CN $ (II(b)) and [$Ni_2$([20]-DCHDC)$(NCS)_2$] (III) {$H_2$[20]-DCHDC = 14,29-dimethyl-3,10,18,25-tetraazapentacyclo-[25,3,1,$0^{4,9}$,$1^{12,16}$,$0^{19,24}$]ditriacontane-2,10,12,14,16(32),17,27(31), 28,30-decane-31,32-diol} have been synthesized by self-assembly and characterized by elemental analyses, conductances, FT-IR and FAB-MS spectra, and single crystal X-ray diffraction. The crystal structure of II(b) is determined. It crystallizes in the monoclinic space group P2(1)/c. The coordination geometries around Ni(II) ions in I and II(b) are identical and square planes. In complex III each Ni(II) ion is coordinated to $N_2O_2$ plane from the macrocycle and N atoms of NCS- ions occupying the axial positions, forming a square pyramidal geometry. The nonbonded Ni…Ni intermetallic separation in the complex II(b) is 2.8078(10) $\AA$. The FAB mass spectra of I, II and III display major fragments at m/z 635.1, 699.4 and 662.4 corresponding to [$Ni_2$([20]-DCHDC)(Cl + 2H)]$^+$, [$Ni_2$([20]-DCHDC)$(ClO_4\;+\;2H)]^+$ and [$Ni_2$([20]-DCHDC)(NCS) + 6H]$^+$, respectively.

• 한국결정학회지
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• 제13권1호
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• pp.21-24
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• 2002

Cholesterol crotonate(CH₃CH = CHCOOC/sub 27/H/sub 45/)의 분자 및 결정 구조를 X-선 회절법으로 연구하였다. 결정은 P2₁, a = 13.446(4) , b = 11.802(3) , c = 18.782(5) , β = 103.99(2)°, Z = 4이다. 회절 반점들의 세기는 흑연 단색화 장치가 있는 Enraf-Nonius CAD-4 diffractometei로 얻었으며 (2θ/sub max/ = 25°, Mo-Kα X선(λ= 0.7107 )을 사용하였다. 분자 구조는 직접법으로 풀었으며, 최소자승법으로 정밀화하였고, 최종신뢰도 R값은 1604개의 회절 반점에 대하여 0.092이었다. 화합물의 결정 구조는 cholesterol ethylcarbonate, propylcarbonate, crotylcarbonate등의 결정 구조와 isostructure로, 분자들은 monolayer를 이루면서 쌓여 있으며, monolayer 중심부에서는 A 분자의 cholesteryl ring system들끼리, B 분자의 cholesterol ring system과 분자 B의 C(17)-side chain들이 서로 촘촘히 쌓여있다. 층(layer)들 사이에는 crotonate tail들과 분자 A의 C(17)-side chain들이 느슨하게 모여있다. 결정은 cholesteric phase를 갖는 liquid crystalline state을 보여주고 있다.

• 미생물학회지
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• 제55권1호
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• pp.9-16
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• 2019

다양한 미생물은 세포와 주변의 과산화를 방지하고 여분의 에너지를 보관하기 위해 ${\alpha}$-acetolactate decarboxylase(ALDC)를 이용해 아세토인을 생성한다. 아세토인은 안전한 식품 향미 개선제이기 때문에 ALDC를 이용한 아세토인 생합성에 많은 산업체가 관심을 가지고 있다. ALDC는 ${\alpha}$-acetolactate의 탈카르복실화 반응을 통해 아세토인을 생산하는 금속 의존 효소이다. 본 논문에서는 고초균 아종 spizizenii의 ALDC(bssALDC) 결정구조를 $1.7{\AA}$ 해상도에서 보고한다. bssALDC는 두 개의 ${\beta}$-sheet가 중앙부를 형성하는 ${\alpha}/{\beta}$ 구조를 가진다. bssALDC는 중앙부의 소수성 상호작용과 주변부의 친수성 상호작용을 통해 이합체를 형성한다. bssALDC는 세 개의 histidine 잔기와 세 개의 물 분자를 이용해 아연 이온에 배위결합한다. 구조와 서열의 비교 분석에 기초하여 아연 이온과 이 주변부 bssALDC 잔기들이 bssALDC의 효소 활성부위임을 제안한다.

• Journal of Microbiology and Biotechnology
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• 제26권10호
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• pp.1701-1707
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• 2016

Lipoxygenase (LOX) is an industrial enzyme with wide applications in food and pharmaceutical industries. The available structure information indicates that eukaryotic LOXs consist of N terminus β-barrel and C terminus catalytic domains. However, the latest crystal structure of Pseudomonas aeruginosa LOX shows it is significantly different from those of eukaryotic LOXs, including the N-terminal helix domain. In this paper, the functions of this N-terminal helix domain in the soluble expression and catalysis of P. aeruginosa LOX were analyzed. Genetic truncation of this helix domain resulted in an insoluble P. aeruginosa LOX mutant. The active C-terminal domain was obtained by dispase digestion of the P. aeruginosa LOX derivative containing the genetically introduced dispase recognition sites. This functional C-terminal domain showed raised substrate affinity but reduced catalytic activity and thermostability. Crystal structure analyses demonstrate that the broken polar contacts connecting the two domains and the exposed hydrophobic substrate binding pocket may contribute to the insoluble expression of the C terminus domain and the changes in the enzyme properties. Our data suggest that the N terminus domain of P. aeruginosa LOX is required for its soluble expression in E. coli, which is different from that of the eukaryotic LOXs. Besides this, this N-terminal domain is not necessary for catalysis but shows positive effects on the enzyme properties. The results presented here provide new and valuable information on the functions of the N terminus helix domain of P. aeruginosa LOX and further improvement of its enzyme properties by molecular modification.

• Bulletin of the Korean Chemical Society
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• 제32권7호
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• pp.2249-2252
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• 2011

Two new carborane complexes containing closo- or nido-carborane diphosphine ligands with the formula: complex $[Hg(7,8-(PPh_2)_2-7,8-C_2B_9H_{10})_2]$ $CH_2Cl_2$ (1) and $[Ag_2({\mu}-Cl)_2(1,2-(P^iPr_2)_2-1,2-C_2B_{10}H_{10})_2]$ (2) have been synthesized and characterized by elemental analysis, 1H and 13C NMR spectroscopy and X-ray structure determination. The X-ray structure analyses revealed that the carborane diphosphine ligand was degraded from closo-1,2-$(PPh_2)_2-1,2-C_2B_{10}H_{10}$ to nido-[$7,8-(PPh_2)_2-7,8-C_2B_9H_{10}]^-$ in complex 1, while the closo nature of the starting ligand $1,2-(P^iPr_2)_2-1,2-C_2B_{10}H_{10}$ was retained in complex 2. In either of the two complexes, the carborane diphosphine ligand was coordinated bidentately to the Hg(II) or Ag(I) center through its two phosphorus atoms, therefore forming a five-member cheating ring between the carborane ligand and the metal center. The coordination geometry of the metal atom is distorted tetrahedron formed by $P_4$ unit in complex 1 and $P_2Cl_2$ unit in complex 2, respectively.

• 한국음향학회지
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• 제32권3호
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• pp.199-207
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• 2013

본 논문에서는 압전단결정으로 구성된 $64{\times}8$ 채널 1.75D 초음파 트랜스듀서의 설계, 제작 및 평가를 하였다. 우선, 평면 배열된 독립소자에 전기적 연결이 가능한 트랜스듀서의 구조를 선정하고 구조에 맞게 구성소자를 제작하였다. 그리고 유한요소 해석을 통해 트랜스듀서의 세부 구조를 설계하였다. 트랜스듀서의 주요 성능요소로서, 치폭의 너비와 재료를 조절하여 소자간 상호간섭의 영향을 줄이고, 압전단결정 및 정합층의 최적 두께를 설계함으로써 트랜스듀서의 원하는 대역폭을 구현하였다. 설계에 맞게 트랜스듀서 시편을 제작하고 실험적으로 그 특성을 측정한 후, 그 결과를 유한요소 해석 결과와 비교함으로써 개발된 트랜스듀서의 성능을 평가하였다.

• Journal of Microbiology and Biotechnology
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• 제20권4호
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• pp.782-788
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• 2010

Microbiological calcium carbonate precipitation (MCP) has been investigated for its ability to improve the compressive strength of mortar. However, very few studies have been conducted on the use of calcite-forming bacteria (CFB) to improve compressive strength. In this study, we discovered new bacterial genera that are capable of improving the compressive strength of mortar. We isolated 4 CFB from 7 environmental concrete structures. Using sequence analysis of the 16S rRNA genes, the CFB could be partially identified as Sporosarcina soli KNUC401, Bacillus massiliensis KNUC402, Arthrobacter crystallopoietes KNUC403, and Lysinibacillus fusiformis KNUC404. Crystal aggregates were apparent in the bacterial colonies grown on an agar medium. Stereomicroscopy, scanning electron microscopy, and X-ray diffraction analyses illustrated both the crystal growth and the crystalline structure of the $CaCO_3$ crystals. We used the isolates to improve the compressive strength of cement-sand mortar cubes and found that KNUC403 offered the best improvement in compressive strength.