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X-Ray Crystal Structure Determination of Diazatricyclodione (디아자트리사이클로디온의 X선 결정구조 결정)

  • Kim, Sang-Su;An, Jong-Il;Han, Bo-Seop
    • Korean Journal of Crystallography
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    • v.1 no.2
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    • pp.84-90
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    • 1990
  • 1,3-Diazatricyclo (5.2.1.Os .to) decane-2,11-dione , C8H10N2O2. MW=166.15, Monoclinic, P2/n a= 6.585(7) , b=9.089(4), c=12.937(10)A, β=95.72(5)˚, V=770.4A3, Z=4, Dc=1.43(4) g/cm3, λ (Mo Ka)=0.7093A, r=1.Ocm-1, T=295˚K, final R=0.037 for 698 unique observed reflections. The compound is the product of the intramolecular (2+2) photocycloaddition of Nl-(w-butenyl)uracil and belongs to a (5.2.1.O5.10) tricyclic system. A pair of molecules related by the inversion symmetry are held together by the strong hydrogen bonding interactions between 02 and H3 of the uracil moiety.

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Synthesis and In Vitro Evaluation of Some Novel Benzofuran Derivatives as Potential Anti-HIV-1, Anticancer, and Antimicrobial Agents

  • Rida, Samia M.;EI-Hawash, Soad A.M.;Fahmy, Hesham T.Y.;Hazza, Aly A.;EI-Meligy, Mostafa M.M.
    • Archives of Pharmacal Research
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    • v.29 no.1
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    • pp.16-25
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    • 2006
  • A novel series of 1-(1-benzofuran-2-yl-ethylidene)-4-substituted thiosemicarbazides (2a-d) along with some derived ring systems: substituted-2,3-dihydro-thiazoles(3a-c, 4a-f) and thiazolidin-4-ones(5a-d and 6a-d), were synthesized. In addition, cyanoacetic acid-(1-benzofuran-2-yl-ethylidene) hydrazide(7) was used to prepare another new series of compounds consisting of substituted pyridin-2(1H)-ones(8a-c); 2-thioxo-2,3-dihydro-thiazoles(9a-d) and 2-thioxo-2,3-dihydro-6H-thiazolo[4,5-d]pyrimidin-7-ones (10a-c, 11a-c). The absolute configuration of compound 5c was determined by X-ray crystallography. The compounds prepared were evaluated for their in vitro anti-HIV, anticancer, antibacterial, and antifungal activities. Among the tested compounds, compounds 5c and 9a produced a significant reduction ㅐ ㄹ the viral cytopathic effect (93.19% and 59.55%) at concentrations $>2.0{\times}10^{-4}\;M\;and\;2.5{\times}10^{-5}\;M$respectively. Compound 9a was confirmed to have moderate anti-HIV activity. Compounds 2a, 2d, and 5c showed mild antifungal activity. However, none of the tested compounds showed any significant anticancer activity.

Does $N_2O$ react over oxygen vacancy on $TiO_2$(110)?

  • Kim, Bo-Seong;Kim, Yu-Gwon;Li, Z.;Dohnalek, Z.;Kay, B.D.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.196-196
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    • 2011
  • Molecular $N_2O$ has bee known to react over oxygen vacancy on a reduced rutile $TiO_2$(110)-1${\times}$1 surface to desorb as molecular $N_2$ leaving oxygen atom behind. In the present study, we investigated the reaction of $N_2O$ on rutile $TiO_2$(110) using temperature-programmed desorption (TPD). Our results indicate that $N_2O$ does not react over the oxygen vacancy under a typical UHV experimental condition. On a rutile $TiO_2$(110)-1${\times}$1 with a well-defined oxygen vacancy concentration of 5% ($2.6{\times}10^{13}/cm^2$), $N_2O$ desorption features show a monolayer peak maximum at 135 K followed by a small peak maximum at 170 K. When the oxygen vacancy is blocked with $H_2O$, the $N_2O$ peak at 170 K disappears completely, indicating that the peak is due to molecular $N_2O$ interacting with oxygen vacancy. The integrated amount of desorbed $N_2O$ plotted against the amount of adsorbed $N_2O$ however shows a straight line with no offset indicating no loss of $N_2O$ during our cycles of TPD measurements. In addition, our $N_2O$ uptake measurements at 70~100 K showed no $N_2$ (as a reaction product) desorption except contaminant $N_2$. Also, $H_2O$ TPD taken after $N_2O$ scattering up to 350 K indicates no change in the vacancy-related $H_2O$ desorption peak at 500 K showing no change in the oxygen vacancy concentration after the interaction with $N_2O$.

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Crystal Structure of an Acetylene Sorption Complex of Vacuum Dehydrated Fully Cadmiumfiil-Exchanged Zeolite A (완전히 카드뮴 이온으로 교환된 제올라이트 A를 진공 탈수한 후 아세틸렌 기체로 흡착한 결정구조)

  • Koh, Kwang-Nak;Han, Young-Wook;Kim, Yang
    • Korean Journal of Crystallography
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    • v.2 no.1
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    • pp.17-22
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    • 1991
  • The crystal structure of an acetylene sorption complex of vacuum dehydrated fully Cda+ _exchanged zeolite A has been determined from three-dimensional X-ray diffraction data gathered by counter method. The structure was solved and refined in the cubic space group Pm3m at 294(1) K, a=12.202(3) A and Z=1. We crystal was prepared by dehydration at 723 K and 2.67×104 Pa for 2 days, followed by exposure to 1.60×104 Pa of acetylene gas at 298(1) K. All six Cd2+ions per unit cell are associated with 6-oxgen rings of the aluminosilicate framework. They are distributed over two distinguished threefold axes of unit cell; two of these Cd2+ ions are recessed 0.694 into the sodalite unit from (111) plane of three 0(3)'s and each approaches three framework oxides; the other four Cd2+ ions extend approximately 0.586A into the large cavity. The four Cd2+ ions are in a near tetrahedral environment, 2.220(9)A from·three framework oxide ions and 2.74(7) A from each carbon atom of an acetylene molecule(which is here counted as a monodentate ligand). Full matrix least squares refinement converged to the final error indices R1=0.093 and R2=0.105 using the 292 independent reflections for which I>3σ(I).

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Oxidation of trans-[FeH(NCS(Me)-S)(dppe)2]I to trans trans-[FeNCS)2(Ph2P(O)CH2CH2P(O)Ph2)2][I3](dppe=PPh2CH2CH2PPh2) (trans-[FeH(NCS(Me)-S)(dppe)2]I 화합물의 trans-[FeNCS)2(Ph2P(O)CH2CH2P(O)Ph2)2][I3]로 산화)

  • Lee, Ji Hwa;Lee, Soon W.
    • Journal of the Korean Chemical Society
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    • v.44 no.4
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    • pp.311-315
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    • 2000
  • The Fe(II)-isothiocyanato complex $trans-[FeH(NCS)(dppe)_2]$ (1) eactedwith iodomethane(Mel) to give methyl isothiocyanide-Fe(n) complex, $trans-FeH(NCS(Me)-S)(dppe)_2]I(2)$. Compound 2 was oxidized to $trans-[Fe(NCS)_2(Ph_2P(O)CH_2CH_2P(O)Ph_2)_2][I_3]$ (3), which was structurally characterized by X-ray diffraction. The molecular structure of 3 showed a bent Fe-NCS group, Crystallographic data for 3: triclinic space group P1,a=11.071(2) A,b=12.054(2)A,c=12.121(1)A, $\alpha=101.02(1){\circ}C{\beta}=95.887(9){\circ}Cr=110.34(1){\circ}C$, $Z=1R(wR_2)=0.0567(0.1294)$.

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Crystallization from The Melt of 6Bi2O3.GeO2 Composition (6Bi2O3.GeO2 조성 융액의 결정화)

  • 김호건;김명섭
    • Journal of the Korean Ceramic Society
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    • v.26 no.4
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    • pp.479-486
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    • 1989
  • According to the phase diagram, 6Bi2O3.GeO2 composition melts congruently at 93$0^{\circ}C$ and forms a stable ${\gamma}$-6Bi2O3.GeO2 crystal phase below the melting point. But when the melt of this composition was cooled at a rate 1-15$0^{\circ}C$/min without tapping by a glass rod or impurity addition, a metastable $\delta$-6Bi2O3.GeO2 crystal phase was formed. It is due to that as the nucleation energy barrier of $\delta$-6Bi2O3.GeO2 crystals, which have more open and defective structure, is lower than that of ${\gamma}$-6Bi2O3.GeO2 crystals. When impurities or ${\gamma}$-6Bi2O3.GeO2 crystals existed in the melt, stable ${\gamma}$-6Bi2O3.GeO2 crystal phase was formed at various cooling rate. It is because of that the impurities or the ${\gamma}$-6Bi2O3.GeO2 crystals role as a seed crystal and as a result the nucleation energy barrier of ${\gamma}$-6Bi2O3.GeO2 crystals is lowered.

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Color evaluation of low viscosity bulk-fill resin with composite resin capping layer (저점도 벌크필레진과 복합레진 적층수복물의 색조 평가)

  • Yun, Jonghyeon;Jung, Ji-Hye;Chang, Hoon-Sang
    • Journal of Dental Rehabilitation and Applied Science
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    • v.31 no.4
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    • pp.294-300
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    • 2015
  • Purpose: The purpose of this study was to measure the color of low viscosity bulk-fill resin with a capping layer and to compare it with the color of microhybrid composite resin. Materials and Methods: A low viscosity bulk-fill resin (SDR) and microhybrid composite resin of shade A2 (A2) or A3 (A3) were fabricated to 4 mm thickness and light cured for 20 seconds. CIE $L^*a^*b^*$ values of the resin specimens were measured with a colorimeter. Then shade A2 and A3 microhybrid composite resin was capped over low viscosity bulk-fill resins in 2 mm thickness (SA2, SA3). The resin specimens were light cured for 20 seconds and the color was measured and analyzed (n = 10). Color differences (${\Delta}E$) between SA2 and A2, SA3 and A3 were also calculated. Results: $L^*$ value was highest in SDR followed by SA2 and SA3. $L^*$ value of A2 and A3 was the lowest. $a^*$ value was lowest in SDR followed by SA2 and SA3, and A2 and A3 was the highest. $b^*$ value was lowest in SDR followed by A2 and SA2, and A3 and SA3 was the highest. ${\Delta}E$ between A2 and SA2 (${\Delta}E=3.4$), and that between A3 and SA3 (${\Delta}E=3.1$) was lower than the perceptible color difference threshold of ${\Delta}E=3.7$. Conclusion: ${\Delta}E$ between low viscosity bulk-fill resin with a capping layer and microhybrid resin was lower than the perceptible color difference threshold.

Variation of Nuclear DNA Content in Interspecific Allium cepa L.×A. fistulosum L. hybrids and Their Successive Backcross Lines (양파와 파간의 종간잡종 F1과 여교잡계통의 핵 DNA 함량)

  • Kim, Cheol-Woo;Kim, Hwa-Young;Lee, Eul-Tai;Choi, In-Hu;Bang, Jin-Ki
    • Korean Journal of Breeding Science
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    • v.41 no.4
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    • pp.463-467
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    • 2009
  • Interspecific hybrid plants between Allium cepa L. (2n=2X=16) and A. fistulosum L. (2n=2X=16)and their backcross lines were developed by artificial pollination in order to introduce new desirable characters of A, cepa to A. fistulosum. The 2C nuclear DNA content has been estimated by flow cytometry in 5 Allium fistulosum inbreed lines, 2 interspecific hybrid lines of A. cepa${\times}$A. fistulosum and 34 their backcross lines $BC_1F_1$ to $BC_2F_2$, using propidium iodide (PI) as a fluorescence dye. Estimated 2C DNA values ranged from 22.2 pg to 23.7 pg in 5 A. fistulosum inbreed lines, 37.9 pg in F1 hybrid between A. cepa and A. fistulosum, 24.3 pg to 27.3 pg in 7 backcross lines in $BC_1F_1$, 21.9 pg to 24.4 pg in 9 $BC_1F_2$, 22.9 pg to 25.1 pg in 14 $BC_2F_1$, 22.6 pg to 23.4 pg in 4 $BC_2F_2$. This study showed mean 2C nuclear DNA content of $F_1$ hybrid was higher than their backcross progeny lines, while it was lower than female parental line, A. cepa (2C DNA=33.2 pg). Mean 2C DNA content of backcross lines, $BC_1F_1$ to $BC_2F_2$ was not significantly different but their 2C DNA contents in the more progress generation from $BC_1F_1$ to $BC_2F_2$ were reduced.

The Explicit Expression of the Atomic Thermal Parameters (원자의 온도 매개변수의 정확한 표현)

  • William P. Jensen;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.9 no.2
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    • pp.149-152
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    • 1998
  • The accurate expression of the anisotropic thermal parameters is either exp (-2$π^{2}$ < $h^{2}$ $\frac{$u_x^2$}{$a^{2}$}$ + $k^{2}$ $\frac{$u_y^2$}{$b^{2}$}$ + $l^{2}$ $\frac{$u_z^2$}{$c^{2}$}$ + 2hk $\frac{$u_{x}}{a}$ $\frac{$u_{y}}{b}$ 2hl $\frac{$u_{x}}{a}$ $\frac{$u_{z}}{c}$ 2kl $\frac{$u_{y}}{b}$ $\frac{$u_{z}}{c}$ > ) with the small displacements Ux, Uy, uz, in absolute measure or exp (-2$π^{2}$ < $h^{2}$ $u_x^2$ + $k^{2}$ $u_y^{2}$ + $l^{2}$ $u_z^{2}$ + 2hk$u_{x}$ $u_{y}$ + 2hl$u_{x}$$u_{z}$ + 2kl$u_{y}$ $u_{z}$ > ) with the small displacements Ux, Uy, Uz in fractional measure.

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Quicksort Using Range Pivot (범위 피벗 퀵정렬)

  • Lee, Sang-Un
    • Journal of the Korea Society of Computer and Information
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    • v.17 no.4
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    • pp.139-145
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    • 2012
  • Generally, Quicksort selects the pivot from leftmost, rightmost, middle, or random location in the array. This paper suggests Quicksort using middle range pivot $P_0$ and continually divides into 2. This method searches the minimum value $L$ and maximum value $H$ in the length n of list $A$. Then compute the initial pivot key $P_0=(H+L)/2$ and swaps $a[i]{\geq}P_0$,$a[j]<P_0$ until $i$=$j$ or $i$>$j$. After the swap, the length of list $A_0$ separates in two lists $a[1]{\leq}A_1{\leq}a[j]$ and $a[i]{\leq}A_2{\leq}a[n]$ and the pivot values are selected by $P_1=P_0/2$, $P_2=P_0+P_1$. This process repeated until the length of partial list is two. At the length of list is two and $a$[1]>$a$[2], swaps as $a[1]{\leftrightarrow}a[2]$. This method is simpler pivot key process than Quicksort and improved the worst-case computational complexity $O(n^2)$ to $O(n{\log}n)$.