• Molecules and Cells
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• 제44권3호
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• pp.179-185
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• 2021

Vancomycin response regulator (VncR) is a pneumococcal response regulator of the VncRS two-component signal transduction system (TCS) of Streptococcus pneumoniae. VncRS regulates bacterial autolysis and vancomycin resistance. VncR contains two different functional domains, the N-terminal receiver domain and C-terminal effector domain. Here, we investigated VncR C-terminal DNA binding domain (VncRc) structure using a crystallization approach. Crystallization was performed using the micro-batch method. The crystals diffracted to a 1.964 Å resolution and belonged to space group P212121. The crystal unit-cell parameters were a = 25.71 Å, b = 52.97 Å, and c = 60.61 Å. The structure of VncRc had a helix-turn-helix motif highly similar to the response regulator PhoB of Escherichia coli. In isothermal titration calorimetry and size exclusion chromatography results, VncR formed a complex with VncS, a sensor histidine kinase of pneumococcal TCS. Determination of VncR structure will provide insight into the mechanism by how VncR binds to target genes.

• Bulletin of the Korean Chemical Society
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• 제5권1호
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• pp.23-26
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• 1984

The crystal structure of phthalylsulfacetamide, one of the long-acting 'sulfa' drugs, has been determined by the X-ray diffraction methods. The crystal is monoclinic with cell dimensions of a = 7.980(3), b = 12.784(2), c = 18.064(7) ${\AA}$ and ${\beta}$= $112.94(2)^{\circ}$, space group $P2_1$/c and Z = 4. The structure was solved by the direct methods and refined to R = 0.048. The sulfonylacetamide moiety is folded with respect to the central phenyl ring and the benzamide and benzoyl planes are nearly perpendicular to each other. This conformation is consistent with those of the relevant molecules containing the corresponding moieties. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

• 한국결정성장학회지
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• 제15권4호
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• pp.168-174
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• 2005

건조공정 중인 다공성 물질의 물성은 재료의 비균질성 즉 전위, 입자, 입계, 균열, 기공과 같은 미시적인 결함 인자들의 영향을 받는다. 따라서 다공성 물질의 건조공정을 전산 시뮬레이션하기 위해서는 연속체 스케일과 원자 스케일해석 그리고 스케일별 해석 한계 극복이 요구된다. 본 연구에서는 분자동역학 시뮬레이션으로 계산한 나노스케일 물성를 연속체 스케일 해석에 연계하는 계층적 멀티스케일 시스템을 구축하고, 다공성 세라믹 애자의 건조공정을 전산 시뮬레이션 하였다. 해석 결과, 온도, 습도, 변형률 그리고 응력 분포를 기존의 결과들과 비교하여 검증하였다.

• Bulletin of the Korean Chemical Society
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• 제5권4호
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• pp.158-162
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• 1984

The crystal structure of chloramphenicol base, $C_9H_{l2}N_2O_4$, the deacylated base of antibiotic chloramphenicol, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with CuK${\alpha}$ radiation from a crystal with space group symmetry $P2_12_12_1$ and unit cell parameters a = 22.322(6), b = 7.535(6), c = 5.781(5) ${\AA}$. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.051 for the 573 observed reflections. The overall conformation of the base is quite different from those of the chloramphenicol congeners which are similar despite the presence of many rotatable single bonds. The propane chain in the base is bent with respect to the phenyl ring, while it is extended in the chloramphenicol congeners. There is no intramolecular hydrogen bond between the hydroxyl groups of the propanediol moiety. All of the molecules in the crystal lattice are connected by a three-dimensional hydrogen bonding network.

• Applied Microscopy
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• 제21권2호
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• pp.67-75
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• 1991

[ $C_{60}$ ] molecule, the Buckminsterfullerene, has generated great interest because of its unique molecular structure and of superconductivity exhibited in its alkali-doped solids. We have investigated the molecular stacking and crystal structure of $C_{60}$ thin crystals formed on amorphous carbon film. The $C_{60}$ powder which was chromatographically purified was dissolved in benzene. The thin crystals of $C_{60}$ were observed with a 300 keV transmission electron microscope. Electron diffraction analysis and direct imaging of its molecular stacking were carried out. It was found from this work that the molecules of $10.0{\AA}$ diameter are arrayed hexagonally on substrate surface and $8.7{\AA}$ lattice planes are quite often found in several types of ED patterns, which can never be explained with a fcc model. Therefore the structure of $C_{60}$ thin crystals is hcp, although we cannot fully exclude the possibility of co-existence of hcp and fcc.

• The Plant Pathology Journal
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• 제32권2호
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• pp.168-170
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• 2016

We previously found that the antibacterial activity of silver phosphate crystals on Escherichia coli depends on their structure. We here show that the cubic form of silver phosphate crystal (SPC) can also be applied to inhibit the growth of a plant-pathogenic Pseudomonas syringae bacterium. SPC pretreatment resulted in reduced in planta multiplication of P. syringae. Induced expression of a plant defense marker gene PR1 by SPC alone is suggestive of its additional plant immunity-stimulating activity. Since SPC can simultaneously inhibit P. syringae growth and induce plant defense responses, it might be used as a more effective plant disease-controlling agent.

• Archives of Pharmacal Research
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• 제11권1호
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• pp.74-79
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• 1988

Crystals of tolazamide, $C_{14}H_{21}N_3O_3S$, are triclinic space group $P{\bar{1}}$ with cell dimensions of a = 6.355 (2), b = 9.223 (2), c = 13.510 (3) A, ${\alpha}\;=\;101.04\;(8),\;{\beta}=92.80(5),\;{\gamma}\;=\;85.72\;(6)^{\circ}$ and Z = 2. Intensities were collected on an automated four-circle diffractometer using graphite-monochromated Cu K ${\alpha}$ radiations. The structure was solved by direct method and refined by full-matrix least-squares to an R factor of 0.058 for 1184 observed reflections. The molecules are dimerized by the $N-H{\cdots}O$ hydrogen bonds. There are only van der Waals interactions between these molecular dimers.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2002년도 하계학술대회 논문집 C
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• pp.1933-1935
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• 2002

In this paper, we present a study of the structure and electro-optic behavior of hybrid liquid-crystal-silica sphere composite photonic crystals, formed by filling the (26% by volume) void space of fee (face centered cubic) silica opals infiltrated with a nematic liquid crystal. Three dimensional photonic crystals of visible range were fabricated via a self assembly method of silica spheres of submicron diameter. The expected fee structure was confirmed by scanning electron microscopy (SEM) of the dehydrated crystal with glass removed. The photonic crystal exhibited significant electric-field-induced shift of the optical Bragg reflection peak when the liquid crystal has the long molecular axis oriented parallel to the sphere surfaces.

• 통합자연과학논문집
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• 제6권4호
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• pp.197-204
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• 2013

The crystal structure of the potential active 4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo [8.8.0.02,7.013,18] octadeca-2(7),13,15,17-tetraene-3,5,11-trione 2-ethoxyphenyl (2E)-but-2-enoate ($C_{22}H_{18}N_2O_5$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group $P_12_1/c_1$ with unit cell dimension a=15.2039(8), b=12.3888(6) and c= 9.8162(5) [alpha & $gamma=90^{\circ}$ beta=98.113(2)]. In the structure fused pyrone and pyran rings each adopt a sofa/envelop conformation. The crystal structure is stabilized by intramolecular C-H... O hydrogen bond interaction.

• 한국섬유공학회:학술대회논문집
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• 한국섬유공학회 1999년도 가을 한국섬유공학회 학술발표회 논문집(Proceedings of the Korean Textile Conference)
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• pp.307-310
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• 1999