• Title/Summary/Keyword: (L, N)-structure

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Synthesis and Characterization of New Tetraaza Macrocycles Bearing Two or Four N-Methoxyethyl Pendant Arms and Their Copper(II) and/or Nickel(II) Complexes

  • Kang, Shin-Geol;Kim, Hyun-Ja;Kwak, Chee-Hun
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2701-2704
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    • 2010
  • This work shows that both L2 and L3 bearing two and four N-$(CH_2)_2OCH_3$ groups, respectively, can be prepared selectively by the reaction of $L^1$ with 1-bromo-2-methoxyethane. The di-N-substituted macrocycle $L^2$ readily forms its copper(II) and nickel(II) complexes. The N-$(CH_2)_2OCH_3$ groups in $[CuL^2]^{2+}$ are coordinated to the metal ion, whereas those in $[NiL^2]^{2+}$ are not involved in coordination. Interestingly, $L^3$ reacts with $Cu^{2+}$ ion to form $[Cu(HL^3)]^{3+}$, in which one tertiary amino group is not involved in coordination.

Design of an Efficient Parallel High-Dimensional Index Structure (효율적인 병렬 고차원 색인구조 설계)

  • Park, Chun-Seo;Song, Seok-Il;Sin, Jae-Ryong;Yu, Jae-Su
    • Journal of KIISE:Databases
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    • v.29 no.1
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    • pp.58-71
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    • 2002
  • Generally, multi-dimensional data such as image and spatial data require large amount of storage space. There is a limit to store and manage those large amount of data in single workstation. If we manage the data on parallel computing environment which is being actively researched these days, we can get highly improved performance. In this paper, we propose a parallel high-dimensional index structure that exploits the parallelism of the parallel computing environment. The proposed index structure is nP(processor)-n$\times$mD(disk) architecture which is the hybrid type of nP-nD and lP-nD. Its node structure increases fan-out and reduces the height of a index tree. Also, A range search algorithm that maximizes I/O parallelism is devised, and it is applied to K-nearest neighbor queries. Through various experiments, it is shown that the proposed method outperforms other parallel index structures.

Chiral Recognition in Gas chromatographic Resolution of Amino -$^1H\;and^{13}C$ Nuclear magnetic resonance studies of hydrogen bonding in dinmide chiral stationary phases-

  • Park, Man-Ki;Yang, Jeong-Sun;Sohn, Dong-Hwan;Lee, Mi-Young
    • Archives of Pharmacal Research
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    • v.12 no.1
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    • pp.58-61
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    • 1989
  • Studies of selectivity of hydrogen bond formation in chiral solute-solvent systems have been performed by $^1H\;and\;^{13}C$ nuclear magnetic resonance techniques. These data are correlated with the results of gas chromatographic investigations of the same systems. Interactions between the optically active solvent(N-(N-benzoyl-L-amino acid)-anilide) and optically active solute (N-trifluoroacetyl -L-alanyl isopropyl ester) were examined. NMR evidence indicated that hydrogen bonding interaction occurred between two N-H portion and on peptidyl carbonyl portion in stationary phase and solute molecule on three points. The association constants of solvent-solute interaction were calculated and the structure of the diastereomeric association complex between N-(N-benzoyl-L-valyl)-anilide and N-TFA-L-alanyl isopropyl ester was proposed.

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The Crystal and Molecular Structure of N-Acetyl-L-cysteine (N-Acetyl-L-cysteine의 결정 및 분자구조)

  • Young Ja Lee;Il-Hwan Suh
    • Journal of the Korean Chemical Society
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    • v.24 no.3
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    • pp.193-200
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    • 1980
  • The crystal structure of N-acetyl-L-cysteine, $C_5H_9NO_3S,$ has been determined from three dimensional photographic intensity data $(CuK{\alpha}$ radiation) by single crystal X-ray diffraction analysis. There is one formula unit in the triclinic unit cell with a = 7.04(3), b = 5.14(2), c = 8.25(3) ${\AA}$, ${\alpha}$ = 106(2), ${\beta}$ = 51(1), ${\gamma}$ = 124(2)$^{\circ}$ and space group P$_1$, The structure was solved by the direct method and refined by the full matrix least-squares method. The final R value is 12.3% for 629 observed reflections. The C-carboxyl group and the N-acetyl group are very neary planar. The molecule appears to form with neighboring molecules a hydrogen bond, $O-H{\cdot}{\cdot}{\cdot}O(3)$ of length 2.59${\AA}$.

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Structure and Dynamics of Dilute Two-Dimensional Ring Polymer Solutions

  • Oh, Young-Hoon;Cho, Hyun-Woo;Kim, Jeong-Min;Park, Chang-Hyun;Sung, Bong-June
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.975-979
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    • 2012
  • Structure and Dynamics of dilute two-dimensional (2D) ring polymer solutions are investigated by using discontinuous molecular dynamics simulations. A ring polymer and solvent molecules are modeled as a tangent-hard disc chain and hard discs, respectively. Some of solvent molecules are confined inside the 2D ring polymer unlike in 2D linear polymer solutions or three-dimensional polymer solutions. The structure and the dynamics of the 2D ring polymers change significantly with the number ($N_{in}$) of such solvent molecules inside the 2D ring polymers. The mean-squared radius of gyration ($R^2$) increases with $N_{in}$ and scales as $R{\sim}N^{\nu}$ with the scaling exponent $\nu$ that depends on $N_{in}$. When $N_{in}$ is large enough, ${\nu}{\approx}1$, which is consistent with experiments. Meanwhile, for a small $N_{in}{\approx}0.66$ and the 2D ring polymers show unexpected structure. The diffusion coefficient (D) and the rotational relaxation time ($\tau_{rot}$) are also sensitive to $N_{in}$: D decreases and $\tau$ increases sharply with $N_{in}$. D of 2D ring polymers shows a strong size-dependency, i.e., D ~ ln(L), where L is the simulation cell dimension. But the rotational diffusion and its relaxation time ($\tau_{rot}$) are not-size dependent. More interestingly, the scaling behavior of $\tau_{rot}$ also changes with $N_{in}$; for a large $N_{in}$ $\tau_{rot}{\sim}N^{2.46}$ but for a small $N_{in}$ $\tau_{rot}{\sim}N^{1.43}$.

Characterization of Functional Domains in NME1L Regulation of NF-κB Signaling

  • You, Dong-Joo;Park, Cho Rong;Mander, Sunam;Ahn, Curie;Seong, Jae Young;Hwang, Jong-Ik
    • Molecules and Cells
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    • v.39 no.5
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    • pp.403-409
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    • 2016
  • NME1 is a well-known metastasis suppressor which has been reported to be downregulated in some highly aggressive cancer cells. Although most studies have focused on NME1, the NME1 gene also encodes the protein (NME1L) containing N-terminal 25 extra amino acids by alternative splicing. According to previous studies, NME1L has potent anti-metastatic activity, in comparison with NME1, by interacting with $IKK{\beta}$ and regulating its activity. In the present study, we tried to define the role of the N-terminal 25 amino acids of NME1L in $NF-{\kappa}B$ activation signaling. Unfortunately, the sequence itself did not interact with $IKK{\beta}$, suggesting that it may be not enough to constitute the functional structure. Further construction of NME1L fragments and biochemical analysis revealed that N-terminal 84 residues constitute minimal structure for homodimerization, $IKK{\beta}$ interaction and regulation of $NF-{\kappa}B$ signaling. The inhibitory effect of the fragment on cancer cell migration and $NF-{\kappa}B$-stimulated gene expression was equivalent to that of whole NME1L. The data suggest that the N-terminal 84 residues may be a core region for the anti-metastatic activity of NME1L. Based on this result, further structural analysis of the binding between NME1L and $IKK{\beta}$ may help in understanding the anti-metastatic activity of NME1L and provide direction to NME1L and $IKK{\beta}$-related anti-cancer drug design.

A syudy on electrochemical charcteristic of $Li_{1-x}Mn_{2}O_{4}$(0$\leq$x$\leq$0.075) ($Li_{1-x}Mn_{2}O_{4}$(0$\leq$x$\leq$0.075)의 전기화학적 특성연구)

  • 박종광;고건문;김민기;이남재;임석진;한병성
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.07a
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    • pp.444-447
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    • 2000
  • The spinel L $i_{1-x}$ M $n_2$ $O_4$has been synthesized by the solid-state reaction. L $i_{l-x}$M $n_2$ $O_4$which includes a mixture of LiOH . $H_2O$ and Mn $O_2$prepared by preliminary heating at 35$0^{\circ}C$ for 12hr. L $i_{l-x}$M $n_2$ $O_4$fired at temperature range from 75$0^{\circ}C$ for 48hr. The structure and the electrochemical characteristics of spinel to L $i_{1-x}$ M $n_2$ $O_4$which is fabricated by changing sintering condition from starting materials are investigated. The cyclic voltammetric measurement was performed using 3 electrode cells. Electrode specific capacity and cycle life behavior were tested in a 3.0~4.2V range at a constant current density of 0.45mA/c $m^2$. To improve the cycle performance of spinel L $i_{l-x}$M $n_2$ $O_4$as the cathode of 4V class lithium secondary batteries, spinel phases L $i_{1-x}$ M $n_2$ $O_4$were Prepared at various lithium. The results showed that discharge capacity of L $i_{l-x}$M $n_2$ $O_4$varied at lithium quantity decrease with increasing lithium add quantity. The discharge capacities of L $i_{0.925}$M $n_2$ $O_4$and LiM $n_2$ $O_4$revealed 108 and 117mAh/g, respectively.spectively.y.

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Some Regular Languages and Prefix Coding (어떤 정규언어와 Prefix Coding)

  • Golin, Mordecai;Na, Hyeon-Suk
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.30 no.2C
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    • pp.1-9
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    • 2005
  • Code is a set of words. If, for any pair of words in the code, one is not prefix of another, the code is called "Prefix(-Free) Code". The prefix coding problem is, given n, to find an optimal code with the minimum-sum of lengths of n words. As a special case of this, we present a method to find, given language L in some specific classes of regular languages, an optimal code among prefix codes in L. We also show how the structure of optimal codes varies as n grows, using trees.

Influence of 3-(N-methyl-N-X(Sub.)Phenylaminooxoacetyl) Group on the Herbicidal Activity of Imazapyr Derivatives (Imazapyr 유도체의 제초활성에 미치는 3-(N-methyl-N(X)-치환-Phenylaminooxoacetyl) Group의 영향)

  • Sung, N.D.;Ryu, T.S.;Chang, H.S.;Kim, D.W.
    • Applied Biological Chemistry
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    • v.37 no.6
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    • pp.516-521
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    • 1994
  • New seventeen imazapyr derivatives, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-(N-methyl-N-X(sub.)-phenylaminooxoacetyl)pyridine, 6 were synthesized and their pre-emergence herbicidal activity$(pI_{50})$ in vivo against Corn (Zea mays L.) and Pigweed (Amaranthus viridis L.) were studied by the pot test under paddly conditions. Quantitative structure activity relationships (QSARs) were analyzed using the physicochemical parameters of substituent(X) on the phenyl ring of 3-(N-methyl-N-X(sub.)-phenylaminooxoacetyl) group and regression analysis. The herbicidal activities were related to the steric effect of X-substituent. The effect was rationalized by paraholic function of MR and $L_1$, where the optimal values were MR=5.56 (Zea mays L.) and $L_1=3.34\;{{\AA}}$ (Amaranthus viridis L.). Among them, 2,5-difluoro substituted compound, 6i showed good herbicidal activity against Pigweed with excellent tolerance to Corn.

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Synthesis and Properties of Copolyterephthalamides Containing Biphenyl-2,2'-diyl Structure (Biphenyl-2,2'-diyl 구조를 함유하는 Copolyterephthalamides의 합성과 성질)

  • Jeong, Hwa-Jin
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.11 no.6
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    • pp.2311-2316
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    • 2010
  • Three series of copolyterephthalamides having biphenyl-2,2'-diyl structure in the main chain, were synthesized from p-phenylene-containing diamines such as p-phenylene diamine, 4,4'-oxydianiline or 1,4-bis(4-aminophenoxy)benzene, with mixed diacids of terephthalic acid and 2,2'-bibenzoic acid by the direct polycondensation method. The resulting copolymers had inherent viscosities ranging from 0.46 to 0.93dL/g, and most of them could be readily dissolved in polar aprotic solvents including N,N-dimethyl acetamide and N-methyl-2-pyrrolidone. These copolymers had glass transition temperatures between 239 and $326^{\circ}C$, and their 10% weight loss temperatures were recorded in the range of $410{\sim}485^{\circ}C$ in nitrogen atmosphere.