• Journal of Life Science
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• v.28 no.10
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• pp.1140-1146
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• 2018

Dual-specificity phosphatases (DUSPs) play a role in cell growth and differentiation by modulating mitogen-activated protein kinases. DUSPs are considered targets for drugs against cancers, diabetes, immune diseases, and neuronal diseases. Part of the DUSP family, DUSP19 modulates c-Jun N-terminal kinase activity and is involved in osteoarthritis pathogenesis. Here, we report screening of cavity-creating mutants and the crystal structure of a cavity-creating L75A mutant of DUSP19 which has significantly enhanced enzyme activity in comparison to the wild-type protein. The crystal structure reveals a well-formed cavity due to the absent Leu75 side chain and a rotation of the active site-bound sulfate ion. Despite the cavity creation, residues surrounding the cavity did not rearrange significantly. Instead, a tightened hydrophobic interaction by a remote tryptophan residue was observed, indicating that the protein folding of the L75A mutant is stabilized by global folding energy minimization, not by local rearrangements in the cavity region. Conformation of the rotated active site sulfate ion resembles that of the phosphor-tyrosine substrate, indicating that cavity creation induces an optimal active site conformation. The activity enhancement by an internal cavity and its structural information provide insight on allosteric modulation of DUSP19 activity and development of therapeutics.

• The Korean Journal of Pesticide Science
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• v.11 no.2
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• pp.72-81
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• 2007

Quantitative structure-activity relationships (QSARs) on the pre-emergency herbicidal activity and reactivity of a series of new O,O-dialkyl-1-phenoxyacetoxy-1-methylphosphonates (S) analogues against seed of cucumber (Cucumus Sativa) were discussed quantitatively using 2D-QSAR and HQSAR methods. The statistical values of HQSAR model were better than that of 2D-QSAR model. From the frontier molecular orbital (FMO) interaction between substrate molecule (S) and $BH^+$ ion (I) in PDH enzyme, the electrophilic reaction was superior in reactivity. From the effect of substituents, $R_2$-groups in substrate molecule (S) contributed to electrophilic reaction with carbonyl oxygen atom while X, Y-groups contributed to nucleophilic reaction with carbonyl carbon atom. And the influence of X,Y-groups was more effective than that of $R_2$-groups. As a results of 2D-QSAR model (I & II) and atomic contribution maps with HQSAR model, the more length of X, Y-groups is longer, the more herbicidal activity tends to increased. And also, the optimal ${\epsilon}LUMO$ energy, $({\epsilon}LUMO)_{opt.}$=-0.479 (e.v.) of substrate molecule is important factor in determining the herbicidal activity. It is predicted that the herbicidal activity proceeds through a nucleophilic reaction. From the analytical results of 2D-QSAR and HQSAR model, it is suggested that the structural distinctions and descriptors that contribute to herbicidal activities will be able to applied new herbicide design.

• Journal of the Earthquake Engineering Society of Korea
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• v.6 no.2
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• pp.63-71
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• 2002

This paper examines the ASCE first generation benchmark problem for a seismically excited cable-stayed bridge, and proposes a new semi-active control strategy focusing on inclusion of effects of control-structure interaction. This benchmark problem focuses on a cable-stayed bridge in Cope Girardeau, Missouri, USA, for which construction is expected to be completed in 2003. Seismic considerations were strongly considered in the design of this bridge due to the location of the bridge in the New Madrid seismic zone and its critical role as a principal crossing of the Mississippi River. In this paper, magnetorheological(MR) fluid dampers are proposed as the supplemental damping devices, and a clipped-optimal control algorithm is employed. Several types of dynamic models for MR fluid dampers, such as a Bingham model, a Bouc-Wen model, and a modified Bouc-Wen model, are considered, which are obtained from data based on experimental results for full-scale dampers. Because the MR fluid damper is a controllable energy-dissipation device that cannot add mechanical energy to the structural system, the proposed control strategy is fail-safe in that bounded-input, bounded-output stability of the controlled structure is guaranteed. Numerical simulation results show that the performance of the proposed semi-active control strategy using MR fluid dampers is quite effective.

• Journal of the Earthquake Engineering Society of Korea
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• v.11 no.5
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• pp.61-69
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• 2007

The main purpose of this study is to provide a basic information for the seismic capacity evaluation and the seismic design of low-rise reinforced concrete (RC) shear wall buildings, which are comprised of a pilotis in the first story. In this study, relationships between strengths and ductilities of each story of RC buildings with pilotis are investigated based on the nonlinear seismic response analysis. The characteristics of low-rise RC buildings with pilotis are assumed as the double degree of freedom structural systems. In order to simulate these systems, the pilotis is idealized as a degrading trilinear hysteretic model that fails in flexure and the upper story of shear wall system is idealized as a origin-oriented hysteretic model that fails in shear, respectively. Stiffness properties of both models are varied in terms of story shear coefficients and structures are subjected to various ground motion components. By analyzing these systems, interaction curves of required strengths for various levels of ductility factors are finally derived for practical purposes. The result indicates that the required strength levels derived can be used as a basic information for seismic evaluation and design criteria of low-rise reinforced concrete shear wall buildings having pilotis structure.

• Journal of the Korean Society of Marine Environment & Safety
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• v.23 no.1
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• pp.40-46
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• 2017

Shipping activities have become possible in the Arctic Ocean due to melting ice by global warming. An increasing number of vessels are passing through the Arctic Ocean consequently bringing concerns of ship-iceberg collisions. Thus, most classification societies have implemented regulations to determine requirements for ice strengthening in ship structures. This paper presents the simulation results of an ice-strengthened polar class ship after an iceberg collision. The ice-strengthened polar class ship was created in accordance with the Unified Requirements for a Polar-Ship (IACS URI). An elastic-perfect plastic ice model was adopted for this simulation with a spherical shape. A Tsai-Wu yield surface was also used for the ice model. Collision simulations were conducted under the commercial code LS-DYNA 971. Hull deformations on the ice-strengthened foreship structure and collision interaction forces have been analysed in this paper. A normal-strength ship structure in an iceberg collision was also simulated to present comparison results. Distinct differences in structural strength against ice impact forces were shown between the ice-strengthened and normal-strength ship structures in the simulation results. About 1.8 m depth of hull deformation was found on the normal ship, whereas 1.0 m depth of hull deformation was left on the ice-strengthened polar class ship.

• Journal of Advanced Marine Engineering and Technology
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• v.39 no.4
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• pp.489-494
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• 2015

This research focused on minimizing the response of fixed cylindrical offshore structures to a ship impact considering the seawater fluid part. A collision between a ship and offshore structure is generally a complex problem and it is often impractical to perform rigorous finite element analyses to include all the effects and sequences during the collision. The structural behavior of a fixed cylindrical type offshore substructure with a seawater fluid part has a simpler response and small deformation due to the dissipation of impact energy. Upon applying the impact force of a ship to the cylindrical structure, the maximum acceleration, internal energy, and plastic strain are calculated for each load cases using Ls-dyna finite element software. In the maximum cases 2.0 m/s velocity, the response result for the structure was carried out to compare between having a fluid region and no fluid region. Fluid-structure interaction analysis was performed using the ALE method, which make it possible to apply a fluid region on the impact problem. The case of a fixed cylindrical type offshore structure without a seawater fluid part can be a more conservative design.

• Journal of Convergence for Information Technology
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• v.8 no.2
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• pp.219-225
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• 2018

The objectives of this study is to analyze the impact of open information innovation which consisted of external technology acquisition and external technology exploitation on export performance by integrating with strategic alliance factors. This study empirically analyzed six hypotheses in 201 sample using the PLS (Partial Least Square) of the structural equation model to verify the moderating effects of organizational culture on the relationship among open information innovation, strategic alliance and export performance. As a result, external technology acquisition dose not affect strategic alliances. On the other hand, external technology exploitation has a positive impact on strategic alliances. Strategic alliances also have a positive impact on export performance. As a result of the moderating effect analysis, the interaction between organizational culture and external technology acquisition has positively influenced strategic alliances. In addition, the moderating effect of organizational culture and external technology exploitation has a significant effect on strategic alliances. However, moderating effect of organizational culture and strategic alliance dose not affect export performance. This study has a contribution to the analysis of the moderating effects of organizational culture. In the future, integrated analysis of open information innovation and external factors is needed.

• Journal of the Korean Magnetics Society
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• v.24 no.3
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• pp.81-85
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• 2014

Nano-sized Ba-ferrite, Ni-Zn ferrite and $BaFe_{12}O_{19}/Ni_{0.5}Zn_{0.5}Fe_2O_4$ nanocomposite ferrite were prepared by sol-gel combustion method. Nanocomposite was calcined at temperature range of $600{\sim}900^{\circ}C$ for 1 h. According to the diffraction patterns, hard/soft nanocomposite was indicated to the coexistence of the magnetoplumbite structural $BaFe_{12}O_{19}$ and spinel $Ni_{0.5}Zn_{0.5}Fe_2O_4$ and agree with the standard data (JCPDS 10-0325). The particle size of nanocomposite turn out to be less than 90 nm. The nanocomposite ferrite shows a single-phase magnetization behavior, implying that the hard magnetic phase and soft magnetic phase were well exchange-coupled. The specific saturation magnetization ($M_s$) of the nanocomposite is located between hard ($BaFe_{12}O_{19}$) and soft ferrite ($Ni_{0.5}Zn_{0.5}Fe_2O_4$). The remanence (Mr) of nanocomposite ferrite is much higher than that for the individual $BaFe_{12}O_{19}$ and $Ni_{0.5}Zn_{0.5}Fe_2O_4$ ferrite. $(BH)_{max}$ is increased, generally.

• Journal of the Korean Chemical Society
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• v.18 no.4
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• pp.223-238
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• 1974

CNDO/2 MO theoretical studies and kinetic studies of halide exchange reactions for alkylchloroformates have been carried out in order to investigate structure-reactivity relationship of alkylchloroformates. From the result of energetics, it was concluded that the most stable configuration of alkylchloroformate is that in which alkyl group and chlorine are trans to each other, and that the hindered rotation about the bond between the carbonyl carbon and alkoxy-oxygen bond is attributed to the ${\pi}-$electron delocalization. It has been found that the large charge separation is due to -M effect of carbonyl and alkoxy oxygens and-I effect of chlorine. The order of rates in solvents studied was $(CH_3)_2 > CO > CH_3CN{\gg}MeOH.$$I^->Br^->Cl^-$ in protic solvent, and of Cl^->Br^- >I^-$ in dipolar aprotic solvents. Alkyl group contribution has the decreasing order of $CH_3-> C_2H-{\gg}i-C_3H_7-.$ The solvent effect has been interpreted on the basis of initial and final state contribution. A transition state model has been suggested, and it has been proposed that the most favorable mechanism is the addition-elimination. From the results of activation parameters and electronic properties, an energy profile has been proposed. Structural factors determining reactivities of alkylchloroformates have been shown to be charge, energy level of ${\alpha}^*LUMO$ to C-Cl bond and ${\alpha}^{\ast} $antibonding strength with respect to C-Cl bond in this MO. Charge and polarizability of nucleophile, and the interaction of these effects with solvent structures are also found to be important.

• Reproductive and Developmental Biology
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• v.30 no.3
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• pp.169-174
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• 2006

To search of a new porcine pheromonal odorants, the comparative molecular similarity indices analysis(CoMSIA) between porcine odorant binding protein(pOBP) as receptor and ligands of green odorants 2-(Cyclohexyloxy)tetrahydrofurane derivatives as substrate molecule were conducted and disscused quantitatively. In the optimized CoMSIA model(I-AI) with chirality($I:\;C_{1'}(R),\;C_2(S)$) in substrate molecules and atom based fit alignment(AE) of the odorants the statistical PLS results showed the best predictability of the binding affinities based on the LOO cross-validated value ${r^2}_{cv.}\;(q^2=0.856)$ and non cross-validated conventional coefficient(${r^2}_{ncv.}=0.964)$). The structural distinctions of the highest active molecules were able to understand from the interaction between pOBP and green odorants in the contour maps with CoMSIA model.