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Crystal Structure of Nalidixic Acid (Nalidixic Acid의 결정구조)

  • 김문집;신준철
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.98-102
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    • 1995
  • The crystal structure of -Ethyl-1,4-dihydro-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid [Nalicixic Acid] has been determined from single crystal X-ray diffraction study; C12H12N2O3, monoclinic, P21/c, a=8.910(2)Å, b=13.145(3)Å, c=9.370(3)Å, β =100.06(2)°, V=1080.6Å, T=293K, Z=4, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=0.055 for 1555 unique observed [F0>4σ(F0)] reflections and 166 parameters. The conformation of the molecule is stabilized by an intramolecular O(17)-H(17)…O(14) hydrogen bond [2.525(2)Å, 144.3(10)°].

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Crystal Structure of a Cyclopropane Sorption Complex of Dehydrated Fully $Ca^{2+}$-Exchanged Zeolite X

  • 최은영;김양;송성환
    • Bulletin of the Korean Chemical Society
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    • v.20 no.7
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    • pp.791-795
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    • 1999
  • The crystal structure of a cyclopropane sorption complex of dehydrated fully Ca (2+) -exchanged zeolite X, Ca46Si100Al92O384· 30C3H6 (a = 24.988(4) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)℃. The crystal was prepared by ion exchange in a flowing stream of 0.05M aqueous Ca(NO3)2 for four days, followed by dehydration at 460℃ and 2×10 (-6) Torr for two days, and exposure to 100 Torr of cyclopropane gas at 21(1)℃. The structure was determined in this atmosphere and refined to the final error indices R1 = 0.068 and R2 = 0.082, with 373 reflections for which I > 3σ (I). In this structure, Ca 2+ ions are located at two crystallographic sites. Sixteen Ca 2+ ions fill the octahedral sites I at the centers of the hexagonal prisms (Ca-O = 2.412(9)Å). The remaining 30 Ca 2+ ions are at sites Ⅱ; each extends 0.46Å into the supercage (an increase of 0.16Å upon C3H6 sorption) where it coordinates to three trigonally arranged framework oxygens at 2.311(8)Å. Each of the 30 cyclopropane molecules was found to complex to Ca 2+ ions at site II by the induced dipole interaction (Ca-C = 2.99(4)Å). All carbon atoms in each cyclopropane molecule are equivalent and equidistant from Ca 2+ ions at site II with which they are associated.

Effect of $CaTiO_3$Additions on Microwave Dielectric Properties in $BaWO_4$-$Mg_2$$SiO_4$Ceramics ($BaWO_4$-$Mg_2$$SiO_4$세라믹스의 $CaTiO_3$첨가에 따른 고주파 유전특성)

  • 박일환;김경용;김병호
    • Journal of the Korean Ceramic Society
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    • v.38 no.3
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    • pp.280-286
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    • 2001
  • 10 이하의 저유전율을 갖는 (1-x)BaWO$_4$-xMg$_2$SiO$_4$(x=0.1~0.9) 세라믹스의 미세구조와 고주파 유전특성을 조사하였다. (1-x)BaWO$_4$-xMg$_2$SiO$_4$(x=0.1~0.9) 세라믹스는 정방정(tetragonal) 구조를 가진다. 0.1BaWO$_4$-0.9Mg$_2$SiO$_4$세라믹스는 BaWO$_4$$Mg_2$SiO$_4$의 상들이 공존하는 혼합상을 보였으며, $Mg_2$SiO$_4$가 이차사으로 형성된 것이 관찰되었다. 120$0^{\circ}C$~140$0^{\circ}C$에서 2시간 동안 소결된 (1-x)BaWO$_4$-xMg$_2$SiO$_4$(x=0.1~0.9) 세라믹스는 $\varepsilon$$_{r}$=6.37~8.21, Q.f=15000~99422 그리고 $ au$$_{f}$=73.9~48.9 ppm/$^{\circ}C$의 고주파 유전특성을 가졌다. $\tau$$_{f}$를 보정하기 위해, CaTiO$_3$(1,5 wt%)가 (1-x)BaWO$_4$-xMg$_2$SiO$_4$(x$\geq$0.9) 세라믹스에 첨가되었다. 135$0^{\circ}C$에서 2시간 동안 소결된 0.1BaWO$_4$-0.9Mg$_2$SiO$_4$+CaTiO$_3$(5 wt%) 세라믹스는 $\varepsilon$$_{r}$=7.3, Q.f=30532 그리고 $\tau$$_{f}$=-30 ppm/$^{\circ}C$의 고주파 유전특성을 얻었다. 얻었다.

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Total Body Fat Estimation by Means of Densitometry and Skinfold Thickness in Middle-Aged Men (밀도법 및 피부두겹법에 의한 중년 남자의 총지방량 측정)

  • Nam, Kwang-Hyun;Shin, Dong-Hoon
    • The Korean Journal of Physiology
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    • v.8 no.1
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    • pp.31-37
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    • 1974
  • Formulas for the prediction of total body fat from skinfold thickness in middle aged men were presented. Hydrostatic weighing was made on 35 middle-aged men $(age:\;40{\sim}50\;years)$ sad corrected for residual volume in lung. Skinfold thickness at four sites, namely, arm, back, waist and abdomen were compared with total fat calculated from the formula given by Keys and Brozek and regression equations were derived. In middle-aged men the observed values were: Body density, 1.07478 ; total body fat, 10.51% body weight; lean body mass, 89.49% body weight; arm skinfold thickness, 4.85mm; back, 10.4 ; waist, 7.72; abdomen, 7.62 and mean skinfold thickness of the four sites, 7.59 mm. The correlations between skinfold thickness and body density were high. The correlations between skinfold thickness and total body fat were also high. The coefficient of correlation between total body fat and arm skinfold, mean skinfold thickness were r=0.839 and r=0.862, respectively. Arm and mean skinfold thicknesses (x, mm) could be used as the representative value for the prediction of total body fat (y, % body weight). The regression equations were: On arm y=2.00x+0.99, With mean skinfold y=1.20x+1.41 The coefficient of correlation between body weight (kg) and mean skinfold thickness was r=0.733. The ratio of mean skinfold thickness (mm) to body weight (kg) in middle-aged men was 0.132.

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Prediction of rice growth parameters by X-band automatic scatterometer system (X-band 자동관측시스템을 이용한 벼 생육인자 추정)

  • Kim, Yi-Hyun;Hong, S.Young;Choe, Eun-Young;Lee, Hoon-Yol
    • Proceedings of the KSRS Conference
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    • 2009.03a
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    • pp.40-45
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    • 2009
  • 본 연구에서는 기후 등의 영향을 받지 않고 레이더 산란 측정을 할 수 있는 X-band antenna 기반의 자동관측 시스템을 이용하여 벼 생육시기에 따른 후방산란계수와 벼 생육인자와의 관계를 분석하여 후방산란계수를 이용한 벼 생육인자를 추정한 것을 목적으로 하였다. 2008년도 국립농업과학원 시험포장 ($37^{\circ}$15'28.0"N, $126^{\circ}$59'21.5"E)에서 추청벼를 대상으로 생육시기별 후방산란계수를 관측하였는데 모든 편파별 후방산란계수가 벼 유수형성기 (7월 말경)까지 증가하다가 그 후 감소하다가 수확기가 가까워지는 9월 중순이후 다시 증가하는 dual-peak 현상을 보였고 특히 W-편파의 경우 9월 초순부터 후방산란계수 증가가 다른 polarization에 비해 크게 나타났다. 후방산란계수와 작물생육인자와의 관계를 분석한 결과 고주파수인 X-band는 상대적으로 바이오메스, 엽 면적지수와의 상관이 낮게 나타났지만 이삭 건물중은 VV-편파 후방산란계수와 상관관계를 보였다. 이삭 건물중과 상관관계가 높게 나타난 X-band의 W-편파 후방산란계수를 이용하여 수확기 이삭 건물중을 추정하였는데 VV-편파 후방산란계수와 이삭 건물중과는 결정계수 $(R^2)$가 0.85이었고, 이삭 건물중 실측값과 추정값을 비교해 본 결과 1:1 line에 근접하게 분포하였다 ($R^2$=0.85).

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Synthesis, X-Ray Crystal Structure and Coupling Reactions of 4,5-($1^{\prime},2^{\prime}$-diphenylethylenedithio)-1,3-dithiole-2-thione (dPhEDT-DTT)

  • 이하진;노동윤
    • Bulletin of the Korean Chemical Society
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    • v.19 no.3
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    • pp.340-344
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    • 1998
  • A facile synthesis of 4,5-(1',2'-diphenylethylenedithio)-1,3-dithiole-2-thione (dPhEDT-DTT) is carried out via a Diels-Alder type [2+4] cycloaddition reaction of 1,3-dithiol-2,4,5-trithione oligomer and t-stilbene. Molecular structure of dPhEDT-DTT is determined by x-ray crystallography: space group P1, a=11.694(3) Å, b=12.117(3) Å, c=14.688(3) Å, α=113.12(2)°, β=102.23(2)°, γ=107.02(2)°, V= 1699.1(7) Å3, Z=2. It turns out that dPhEDT-DTT crystallizes as a racemic compound consisting of (R,R) and (S,S) enantiomers. Coupling reaction of dPhEDT-DTO undergone in neat P(OEt)3 yields TTF(SEt)4 instead of ET derivative. When PR3 (R=OEt, OPh, Ph) is used in benzene, toluene or xylene, however, dPhEDT-DTO is decomposed.

Regulation of CYP 1A1 gene expression by retinoic acid receptor, retinoid X receptor and constitutive androstane receptor in rainbow trout hepatoma cells(RTH 149)

  • Kim, Ji-Sun;Yang, So-Yeun;Seo, Mi-Jung;Sheen, Yhun-Yhong
    • Proceedings of the PSK Conference
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    • 2003.10b
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    • pp.119.2-119.2
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    • 2003
  • Exposure of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) causes a variety of biological and toxicology effects, most of which are mediated by aryl hydrocarbon receptor (AhR). The ligand-bound AhR as a heterodimer with AhR nuclear translocator (ARNT) binds to its specific DNA recognition site, the dioxin-responsive element (DRE), and it results in increased transcription of CYP1A1 gene. Retinoic acid (RA) regulates the transcription of various genes for several essential functions through binding to two classes of nuclear receptors, the retinoic acid receptor (RAR) and retinoid X receptor (RXR). (omitted)

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Kinetic Study on Aminolysis of 4-Pyridyl X-Substituted Benzoates: Effect of Substituent X on Reactivity and Reaction Mechanism

  • Lee, Jong-Pal;Bae, Ae-Ri;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1907-1911
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    • 2011
  • A kinetic study is reported for nucleophilic substitution reactions of 4-pyridyl X-substituted benzoates 7a-e with a series of alicyclic secondary amines in H2O. The Br${\o}$nsted-type plot for the reactions of 4-pyridyl benzoate 7c is linear with ${\beta}_{nuc}$ = 0.71. The corresponding reactions of 2-pyridyl benzoate 6, which is less reactive than 7c, resulted in also a linear Br${\o}$nsted-type plot with ${\beta}_{nuc}$ = 0.77. The fact that the more reactive 7c results in a smaller ${\beta}_{nuc}$ value appears to be in accord with the reactivity-selectivity principle. The aminolysis of 7c has been suggested to proceed through a stepwise mechanism in which breakdown of the intermediate is the rate-determining step (RDS). The Hammett plot for the reactions of 7a-e with piperidine consists of two intersecting straight lines, i.e., ${\rho}_X$ = 1.47 for substrates possessing an electron-donating group (EDG) and ${\rho}_X$ = 0.91 for those possessing an electron-withdrawing group (EWG). In contrast, the corresponding Yukawa-Tsuno plot exhibits excellent linear correlation with ${\rho}_X$ = 0.79 and r = 0.56. Thus, it has been concluded that the nonlinear Hammett plot is not due to a change in the RDS but is caused by stabilization of the ground state of the substrates possessing an EDG through resonance interaction between the EDG and the C=O bond of the substrates.

Freezing Time Prediction of Foods by Multiple Regression Analysis (다중회귀분석에 의한 식품의 동결시간 예측)

  • Jeong, Jin-Woong;Kim, Jong-Hoon;Park, Noh-Hyun;Lee, Seung-Hyun;Kim, Young-Dong
    • Korean Journal of Food Science and Technology
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    • v.30 no.2
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    • pp.341-347
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    • 1998
  • To develop simple and accurate analytical method for freezing time prediction of beef and tylose under various freezing conditions, freezing time (Y) was regressed against the reciprocal $(X_3)$ of difference of initial freezing point and freezing medium temperature, reciprocal $(X_4)$ of surface heat transfer coefficient, the initial temperature $(X_1)$ and thickness $(X_2)$ of samples which should cover most situations arising in frozen food industry. As results of the multiple regression analysis, equations were obtained as follows. $Y_{tylose}=3.45X_1+7642.84X_2+4642.67X_3+2946.89X_4-431.33\;(R^2=0.9568)$ and $Y_{beef}=0.68X_1+7568.98X_2+2430.78X_3+3293.26X_4-299.00\;(R^2=0.9897)$. These equations offered better results than Plank, Nagaoka and Pham's models, shown in satisfactory agreement with models of Cleland & Earle and Hung & Thompson when were compared to previous models, and the accuracy of its was very high as average absolute difference of about 10% in the difference between the fitted and experimental results. Also, thermal diffusivities of beef and tylose were measured as $4.43{\times}10^{-4}m^2/hr$ and $4.39{\times}10^{-4}m^2/hr$ at $6{\sim}7^{\circ}C$, $2.42{\times}10^{-3}m^2/hr$ and $3.32{\times}10^{-3}m^2/hr$ at $-10{\sim}-12^{\circ}C$. Initial freezing points of beef and tylose were $-1.2^{\circ}C\;and\;-0.6^{\circ}C$, respectively. Surface heat transfer coefficients were estimated $20.57\;W/m^2^{\circ}C$ with no-packing, $16.11\;W/m^2^{\circ}C$ with wrap packing and $13.07\;W/m^2^{\circ}C$ with Al-foil packing, and the cooling rate of immersion freezing method was about 10 times faster than that of air blast freezing method.

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Preparation and crystal structure of azido bridged one-dimensional polymeric cadmium(II) complex, [Cd(N3)2(2-ethylimidazole)2]

  • Suh, Seung Wook;Kim, Inn Hoe;Kim, Chong-Hyeak
    • Analytical Science and Technology
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    • v.18 no.5
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    • pp.391-395
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    • 2005
  • The title complex, $[Cd(N_3)_2(2-ethylimidazole)_2]$, I, has been prepared and characterized by X-ray single crystallography. The complex I crystallizes in the monoclinic system, Cc space group with a = 16.200(3), b = 12.926(3), $c=7.007(1){\AA}$, ${\beta}=102.29(3)^{\circ}$, $V=1433.7(5){\AA}^3$, Z = 4, $R_1=0.0239$ and ${\omega}R_2=0.0604$ for 1874 independent reflections. Cd(II) atom has a slightly distorted octahedral coordination geometry, with four end-on (${\mu}-1$,1) bridging azido ligands and two 2-ethylimidazole ligands bonding through nitrogen atom. The central cadmium(II) atoms are run in parallel to the c-axis and are doubly bridged with neighboring cadmium(II) atoms by the end-on (${\mu}-1$,1) bridging azido ligands. Thus, this complex has a one-dimensional zigzag chain structure in which the 2-ethylimidazole is in the cis conformation.