• Title/Summary/Keyword: Solution state structure

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X-ray Scattering Studies for Phase Separated Composite Organic Films

  • Choi, H.;Eom, K.E.;Wang, Q.;Kumar, S.;Kim, J.H.;Shin, S.T.
    • 한국정보디스플레이학회:학술대회논문집
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    • 2004.08a
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    • pp.1229-1232
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    • 2004
  • The ratio of optimized concentration on optical characteristics for phase-separated composite organic films (PSCOF) liquid crystal display is 30% of pre-polymer (NOA65) and 70% of ferroelectric liquid crystal (Felix). The layer structure in ferroelectric liquid crystal cell made by 30% NOA65 and 70% Felix materials is tilt-bookshelf layer structure. The angle of tilt-bookshelf structure are 17$^{\circ}$, 12$^{\circ}$ which are almost same of tilt angle of ferroelectric liquid crystal in Sm $C^{\ast}$ phase. We know that this result is from compensating the layer buckling. In this paper, we will discuss the effect of layer structure in PSCOF cell on ratio of concentration between pre-polymer and liquid crystal by x-ray measurements. We believe that technology of PSCOF is a good solution to solve the problems of align-defect and mechanical shock for future TV application and plastic LCD.

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Solution State Structure of P1, the Mimetic Peptide Derived from IgM Antigen Apo B-100 by NMR

  • Kim, Gilhoon;Lee, Hyuk;Oh, Hyewon;Won, Hoshik
    • Journal of the Korean Magnetic Resonance Society
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    • v.20 no.3
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    • pp.95-101
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    • 2016
  • Apolipoprotein B-100 (Apo-B100) is a major component of low density lipoprotein (LDL). Apo B-100 protein has 4,536 amino acid sequence and these amino acids are classified into peptide groups A to G with subsequent 20 amino acids (P1-P302). The peptide groups were act as immunoglobulin (Ig) antigens which oxidized via malondialdehyde (MDA). The mimetic peptide P1 (EEEMLENVSLVCPKDAT RFK) out of D-group peptides carrying the highest value of IgG antigens were selected for structural studies that may provide antigen specificity. Circular Dichroism (CD) spectra were measured for peptide secondary structure in the range of 190-250 nm. Experimental results show that P1 exhibit partial of ${\beta}-sheet$ and random coil structure. Homonuclear (COSY, TOCSY, NOESY) 2D-NMR experiments were carried out for NMR signal assignments and structure determination for P1. On the basis of these completely assigned NMR spectra and distance data, distance geometry (DG) and Molecular dynamics (MD) were carried out to determine the structures of P1. The proposed structure was selected by comparisons between experimental NOE spectra and back calculated 2D NOE results from determined structure showing acceptable agreement. The total Root-Mean-Square-Deviation (RMSD) value of P1 obtained upon superposition of all atoms was in the range $0.33{\AA}$. The solution state P1 has mixed structure of ${\beta}-sheet$ (Glu[1] to Cys[12]) and random coil (Pro[13] to Lys[20]). These NMR results are well consistent with secondary structure from experimental results of circular dichroism. Structural studies based on NMR may contribute to the studies of atherosclerosis and observed conformational characteristics of apo B-100 in LDL using monoclonal antibodies.

An Ant Colony Optimization Approach for the Two Disjoint Paths Problem with Dual Link Cost Structure

  • Jeong, Ji-Bok;Seo, Yong-Won
    • Proceedings of the Korean Operations and Management Science Society Conference
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    • 2008.10a
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    • pp.308-311
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    • 2008
  • The ant colony optimization (ACO) is a metaheuristic inspired by the behavior of real ants. Recently, ACO has been widely used to solve the difficult combinatorial optimization problems. In this paper, we propose an ACO algorithm to solve the two disjoint paths problem with dual link cost structure (TDPDCP). We propose a dual pheromone structure and a procedure for solution construction which is appropriate for the TDPDCP. Computational comparisons with the state-of-the-arts algorithms are also provided.

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Effect of metal ions on the secondary structure and activity of calf intestine phosphatase

  • Chen, Fengjuan;Liu, Guoqi;Xu, Zhihong;Zeng, Zhengzhi
    • BMB Reports
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    • v.41 no.4
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    • pp.305-309
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    • 2008
  • Cobalt is an essential microelements in many biological processes involving enzymatic activity. We found that $Zn^{2+}$ and $Mg^{2+}$, which are in the active site of native calf intestine alkaline phosphatase (CIP), can be replaced by $Co^{2+}$ directly in solution. The effect of $Co^{2+}$ concentration on the substitution reaction was examined at ratios of [$Co^{2+}$]/[CIP] from 0:1 to 8:1. The quantity of $Zn^{2+}$ in CIP decreased progressively as the ratio was increased, but the amount of $Mg^{2+}$ changed in irrregular fashion. A series of active site models of the reaction mechanism of CIP are proposed. Low pH was found to promote the replacement of $Mg^{2+}$ by $Co^{2+}$. To understand how the substitution affects the enzyme, we also solved the secondary structure of CIP after reaction with $Co^{2+}$ in different conditions.

Direct kinematic method for exactly constructing influence lines of forces of statically indeterminate structures

  • Yang, Dixiong;Chen, Guohai;Du, Zongliang
    • Structural Engineering and Mechanics
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    • v.54 no.4
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    • pp.793-807
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    • 2015
  • Constructing the influence lines of forces of statically indeterminate structures is a traditional issue in structural engineering and mechanics. However, the existing kinematic method for establishing these force influence lines is an indirect or mixed approach by combining the force method with the theorem of reciprocal displacements, which is yet inconsistent with the kinematic method for statically determinate structure. This paper proposes the direct kinematic method in conjunction with the load-displacement differential relation for exactly constructing influence lines of reaction and internal forces of indeterminate structures. Firstly, through applying the principle of virtual displacement, the formula for influence lines of reaction and internal forces of indeterminate structure via direct kinematic method is derived based on the released structure. Then, a computational approach with a clear concept and unified procedure as well as wide applicability based on the load-displacement differential relation of beam is suggested to achieve conveniently the closed-form expression of force influence lines, and exactly draw them. Finally, three representative examples for constructing force influence lines of statically indeterminate beams and frame illustrate the superiority of the proposed method.

STABILITY AND BIFURCATION IN A DIFFUSIVE PREY-PREDATOR SYSTEM : NON-LINEAR BIFURCATION ANALYSIS

  • Bhattacharya, Rakhi;Bandyopadhyay, Malay;Banerjee, Sandip
    • Journal of applied mathematics & informatics
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    • v.10 no.1_2
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    • pp.17-26
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    • 2002
  • A stability analysis of a non-linear prey-predator system under the influence of one dimensional diffusion has been investigated to determine the nature of the bifurcation point of the system. The non-linear bifurcation analysis determining the steady state solution beyond the critical point enables us to determine characteristic features of the spatial inhomogeneous pattern arising out of the bifurcation of the state of the system.

Estimation of Ground and Excited State Dipole Moments of Coumarin 450 by Solvatochromic Shift Method

  • Naik, L.R.;Math, N.N.
    • Journal of Photoscience
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    • v.12 no.2
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    • pp.57-61
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    • 2005
  • The ground and excited state dipole moments of Coumarin 450 (C 450) laser dye were measured at room temperature in several solvents of varying dipole moments. The ground state dipole moment (${\mu}_g$) is estimated by using the modified Onsagar model and the excited state dipole moments (${\mu}_e$) were estimated by the method of solvatochromism as well as by utilizing the microscopic solvent polarity parameter ($E^N_T$). Further, the deviation of some of the points from the linearity of the $E^N_T$ versus Stokes shift indicates the existence of specific type of solute-solvent interaction. The excited state dipole moment of C 450 were found to be higher than those of the ground state and is interpreted in terms of the resonance structure of the molecule. A reasonable agreement has been observed between the values obtained by the method of solvatochromism and modified Onsagar model. It is observed that, corresponding to cyclohexane solution, the fluorescence maxima shift towards the red region with increasing the polarity of the solvents, hence the transition involved are of ${\pi}-{\pi}^*$ type.

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Rheological Behavior of Lyotropilc Solutions of Cellulose in the $NH_3/NH_4SCN$ Solvent System

  • Jo, Jae-Jeong;Cuculo, J.A.;Theil, M.H.
    • Proceedings of the Korean Fiber Society Conference
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    • 1990.06b
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    • pp.36-37
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    • 1990
  • In the past, facile dissolution of cellulose has been hampered by the lack of suitable nondegrading solvents. Recently, this problem has been solved in our laboratory by the discovery of an inexpensive, convenient solvent system, that is the mixture of $NH_3\;and\;NH_4SCN$, for cellulose. Also, the $cellulose/NH_3/NH_4SCN$ solution system has been found to form the anisotropic, i.e., liquid crystalline phase. It is believed that both the cholesterio and the nematic phase occur. This finding has prompted extensive on-going researoh on the formation of the liquid crystalline phase from an inexpensive natural source such as cellulose since the nematic phase is envisioned as an excellent precursor sources for products with desirable properties, for example, high modulus and high strength. This interest naturally leads to a desire to understand the theological properties of the nematic phase so that the transformation of the nematic phase to the solid state with desirable properties can be efficiently accomplished, ;From this point of view, the theological behavior of the $cellulose/NH3_/NH_4SCN$ system has been studied as a function of shear rate and shear stress over a wide range of solvent compositions, cellulose concentration, centrifugation and urea contents, Results indicate that the viscosity decreases with increasing shear rate. A marked shear thinning behavior and a quasi-Newtonian behavior were observed in the low shear rate region and in the high shear rate region, respectively for all solvent compositions. The $cellulose/NH_3/NH_4SCN$ solution system only exhibited the viscosity increase with increasing cellulose concentration and failed to show the viscosity drop generally observed at the point of incipience of liquid crystal formation, This may be due to the gel-like nature of the solution by the association of the rodlike molecules into bundles which may serve as crosslinking points giving the cellulose solution a network structure. Also, simply hydrogen bonding may be so restrictive of molecular mobility that a viscosity drop is blocked. In addition to the above results, yield stress and thixotropy were also observed in the $cellulose/NH_3/NB_4SCN$ solution system which are characteristics of liquid crystal and gel, The results of the effect of centrifugation on viscosity show that viscosity decreases by the application of centrifugation. This may be explained by the change of the piled polydomain structure to the dispersed polydomain structure due to the pressure gradient generated during centrifugation.ation.

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Inclusion Complex of $Permethylated-{\bata}-Cyclodextrin$ with Benzaldehyde

  • Choi Hee-Sook
    • Bulletin of the Korean Chemical Society
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    • v.13 no.2
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    • pp.179-183
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    • 1992
  • A stable solid new inclusion complex with benzaldehyde and $permethyl-\beta-cyclodextrin$ was obtained by recrystallization method. The structure of the $benzaldehyde-permethyl-\beta-cyclodextrin$ inclusion complex in the solid and solution state have been studied by UV, IR, $^1H-NMR$, $^{13}C-NMR$ and FAB-mass spectroscopy.

Transient State Theory of Significant Liquid Structure Applied to A Binary Mixture of Benzene and Carbon Tetrachloride (이성분 액체 혼합물 ($C_6H_6-CCl_4$)의 통계열역학적 연구)

  • Choi, Dong-Sik;Ahn, Woon-Sun;Kim, Kak-Choong;Chang, Sei-Hun
    • Journal of the Korean Chemical Society
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    • v.11 no.4
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    • pp.143-149
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    • 1967
  • The Transient State Theory of Significant Liquid Structure is applied to a binary liquid solution of benzene and carbon tetrachloride, which gives slightly positive deviation from Raoults law. The partition function for the solution is derived according to the proposed theory. The various thermodynamic properties such as total and partial vapor pressures, molar volumes, entropies of mixing, and compressibilities are calculated at three different temperatures, 298.15^{\circ}K$, 313.15^{\circ}K$ and 343.1515^{\circ}K$. The calculated values agree satisfactorily with experimental data.

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