• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.163.1-163.1
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• 2016

Lead halide perovskites CH3NH3PbX3 (X=Cl, Br, I) have received great interest in the past few years because of their excellent photoelectronic properties as well as their low-cost solution process. Their theoretical efficiency limit of the solar cell devices was predicted around 31% by a detailed balance model for the reason that exceptional light-harvesting and superior carrier transport properties. Additionally, these excellent properties contribute to the applications of optoelectronic devices such as LASERs, LEDs, and photodetectors. Since these devices are mainly using perovskite thin film, one of the most important factor to decide the efficiency of these applications is the quality of the film. Even though, optoelectrical devices are composed of polycrystalline thin film in general, not a single crystalline form which has longer carrier diffusion length and lower trap density. For these reasons, monodomain perovskite thin films have potential to elicit an optimized device efficiency. In this study, we analyzed the crystallography of the in-plane aligned perovskite thin film by X-ray diffraction (XRD) and selected area electron diffraction (SAED). Also the basic optic properties of perovskites were checked using scanning electron microscopy (SEM) and UV-Vis spectrum. From this work, the perovskite which is aligned in all directions both of out-of-plane and in-plane was fabricated and analyzed.

• 미생물학회지
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• 제23권1호
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• pp.25-33
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• 1985

Cellulomonas flavigena KIST 321이 생산하는 균체외 cellulose 분해효소를 gel filtration법과 ion-exchange chromatography법으로 3종의 다른 효소를 분리하여 이들을 A, B, 및 C 효소로 명명하였다. 분리된 각 효소를 결정적 기질에 처리하여 일어나는 기질의 구조변화를 적회전 분광법과 X-ray crystallography법으로 측정하여 다음 결론을 얻었다. B효소는 결정성 cellulosem이 구성단위인 glucopyranose의 불안정화로 그 결정도를 감소시키는 $C_1$형의 효소이며 A 및 C 효소는 $C_x$형의 효소로 B 효소의 반응생성물에 작용하여 glucose를 생산하였다. 이들 각 효소의 작용에서 본균의 cellulase의 작용기작을 고찰하였다.

• 한국결정학회지
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• 제5권1호
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• pp.20-23
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• 1994

대장균의 IciA 단백질은 DnaA 단백질의 작용장소에 결합하여 DNA의 복제가 개시되는 것을 막는다. 따라 서 IciA단백질은 세포주기의 주요 단계에서 결정적인 역할을 한다. 이러한 IciA 단백질의 구조와 기능간의 관 계를 연구하기 위하여 X-선 결정학을 이용하여 삼차원 구조를 결정하고자 한다. 그 첫 단계로 IciA단백질 결정화를 시도하였다. sodium formate를 침전제로 이용하여 결정을 얻을 수 있었다.

• 한국결정학회지
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• 제10권1호
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• pp.88-93
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• 1999

The complex [Ni(L)](ClO4)2 (1) (L=2,13-bis(2-pyridylmethyl)-3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.1807.12]docosane) has been synthesized and characterized by X-ray crystallography. (1) crystallizes in the triclinic, space group P, with a=10.948(2), b=10.948(2), c=14.911(4) , α=93.73(2), β=93.77(2), γ=99.29(2)o, V=1754.8(7) 3, Z=2, R1(wR2) for 5217 observed reflections of [I>2σ(I)] was 0.048(0.099). The coordination environment around nickel(II) ion shows a distorted octahedron with four secondary and tertially amines of the macrocycle and two nitrogen atoms of pyridylmethyl groups.

• 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.

• 한국결정학회지
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• 제12권4호
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• pp.222-226
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• 2001

$Ni(L)_4(NCS)_2$(1) (L=2-ethylimidazole)착물의 합성하고 단결정 구조를 규명하였다. 이 착물은 정방정계, 공간군 P4nc a=10.587(2), $c=12.927(3){\AA}$, $V=1448.9(4){\AA}$, Z=2로 결정화되었으며 676개의독립적인 회절반점에 대한 최종 신뢰도 인자 $R_1$ 및$wR_₂$값은 각각 0.0581 및 0.1675이었다. 이 착물의 결정 구조는 Ni(II) 금속 원자에 4개의 2-ethylimidazole리간드의 질소 원자가 xy 평면에 배위되고 있고. 2개의 isothiocyanate 리간드의 질소원자 z축 방향에서 트란스 형태뢰 배위되어 균일한 팔면체 구조의 단핵 착물을 형성한다.

• 한국결정학회지
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• 제12권4호
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• pp.207-211
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• 2001

Cd(SCN)₂{CH/sub 6/H/sub 10/(NH₂)₂}₂(1) 착물을 합성하고 단결성 X-선 회절법으로 구조를 규명하였다. 이 착물은 단사정계, 공간국 P2₁/ space group with a=11.842(2), b=7.926(2), c=11.291(2) Å, β=106.73(3)°V=1014.8(4)Ų, Z=2 로 결정화되었으며, 1775 개의 독립적인 회절반점에 대한 최종 신뢰도 인자 R₁및 ωR₂값은 각각 0.0518 및 0.1315이었다. 착물의 결정 구조는 2개의1,2-Diaminocyclohexane리간드의 질소 원자 xy 평면에서 Cd(II) 금속원자에 chelate 되어 5-membered ring을 형성하며, 2개의 thiocyanate 리간드의 황 원자가 z 축 방향으로 Cd(II) 금속 원자에 트란스 형태로 결합함으로 써 z축 방향으로 약간 늘러진 팔면체 구조의 착물을 형성한다.

• 통합자연과학논문집
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• 제9권4호
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• pp.268-274
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• 2016

Filariasis causing nematode Brugia malayi is shown to harbor wolbachia bacteria as symbionts. The sequenced genome of the wolbachia endosymbiont from B.malayi (wBm) offers an unprecedented opportunity to identify new wolbachia drug targets. Hence the enzyme carbonic anhydrase from wolbachia endosymbiont of Brugia malayi (wBm) which is responsible for the reversible interconversion of carbon dioxide and water to bicarbonate and protons (or vice versa) is chosen as the drug target for filariasis. This enzyme is thought to play critical functions in bacteria by involving in various steps of their life cycle which are important for survival, The 3D structure of wBm carbonic anhydrase is predicted by selecting a suitable template using the similarity search tool, BLAST. The BLAST results shows a hexapeptide transferase family protein from Anaplasma phagocytophilum (PDB ID: 3IXC) having 77% similarity and 54% identity with wBm carbonic anhydrase. Hence the above enzyme is chosen as the template and the 3D structure of carbonic anhydrase is predicted by the tool Modeller9v7. Since the three dimensional structure of carbonic anhydrase from wolbachia endosymbiont of Brugia malayi has not yet solved, attempts were made to predict this protein. The predicted structure is validated and also molecular docking studies are carried out with the suitable inhibitors that have been solved experimentally.

• Bulletin of the Korean Chemical Society
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• 제25권6호
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• pp.796-800
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• 2004

The structure of [Cu(tpen)]$(ClO_4)_2$ (tpen = N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-ethanediamine) has been identified by X-ray crystallography. The copper(II) ion is surrounded by two amine N atoms and three pyridine N atoms of the ligand, making a distorted trigonal-bipyramid. Among the six potential N donor atoms (two amine N and four pyridine N atoms), only one pyridine N atom remains uncoordinated. We examined structural changes on addition of $Cl^-$ to $[Cu(tpen)]^{2+}$(1). The addition of $Cl^-$ in methanol resulted in the formation of a novel dinuclear copper(II) complex $[Cu_2Cl_2(tpen)](ClO_4)_2{\cdot}H_2O$. The structure of the dinuclear complex was verified by X-ray crystallography. Each copper(II) ion in the dinuclear complex showed a distorted square planar geometry with two pyridine N atoms, one amine N atom and one $Cl^-$ ion.

• 한국결정학회지
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• 제13권2호
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• pp.96-100
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• 2002

(H/sub 3/NCH/sub 2/CH/sub 2/NH/sub 3/)HPO/sub 4/ (Ⅰ) 화합물을 수열법으로 최초로 합성하고 단결정 X-선 회절법으로 구조를 규명하였다. 이 화합물은 단사정계 , 공간군 P2/sub 1//c, a＝10.209(1), b＝7.891(1), c＝ 8.039(1) (equation omitted), β＝ 92.138(9)°, V＝: 647.2(2) (equation omitted), Z＝4로 결정화되었으며, 1141 개의 독립적인 회절 반점에 대한 최종 신뢰도 인자 R/sub 1/ 및 ωR/sub 2/값은 각각 0.0295 및 0.0811이었다. 화합물 (Ⅰ)은 수소결합으로 연결된 3차원의 그물 구조를 갖는다.