• Bulletin of the Korean Chemical Society
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• 제31권9호
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• pp.2581-2587
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• 2010

Nitration of tyrosine and tryptophan residues is common in cells under nitrative stress. However, physiological consequences of protein nitration are not well characterized on a molecular level due to limited availability of the 3D structures of nitrated proteins. Molecular dynamics (MD) simulation can be an alternative tool to probe the structural perturbations induced by nitration. In this study we developed molecular mechanics parameters for 3-nitrotyrosine (NIY) and 6-nitrotryptophan (NIW) that are compatible with the AMBER-99 force field. Partial atomic charges were derived by using a multi-conformational restrained electrostatic potential (RESP) methodology that included the geometry optimized structures of both $\alpha$- and $\beta$-conformers of a capped tripeptide ACE-NIY-NME or ACE-NIW-NME. Force constants for bonds and angles were adopted from the generalized AMBER force field. Torsional force constants for the proper dihedral C-C-N-O and improper dihedral C-O-N-O of the nitro group in NIY were determined by fitting the torsional energy profiles obtained from quantum mechanical (QM) geometry optimization with those from molecular mechanical (MM) energy minimization. Force field parameters obtained for NIY were transferable to NIW so that they reproduced the QM torsional energy profiles of ACE-NIW-NME accurately. Moreover, the QM optimized structures of the tripeptides containing NIY and NIW were almost identical to the corresponding structures obtained from MM energy minimization, attesting the validity of the current parameter set. Molecular dynamics simulations of thioredoxin nitrated at the single tyrosine and tryptophan yielded well-behaved trajectories suggesting that the parameters are suitable for molecular dynamics simulations of a nitrated protein.

• Earthquakes and Structures
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• 제17권1호
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• pp.115-129
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• 2019

The effectiveness of an innovative method for the earthquake-resistant rehabilitation of existing poorly detailed reinforced concrete (RC) structures is experimentally investigated herein. Eight column subassemblages were subjected to earthquake-type loading and their hysteretic behaviour was evaluated. Four of the specimens were identical and representative of columns found in RC structures designed in the 1950s-70s period for gravity load only. These original specimens were subjected to cyclic lateral deformations and developed brittle failure mechanisms. Three of the damaged specimens were subsequently retrofitted with innovative high-strength steel fiber-reinforced concrete (HSSFC) jackets. The main variables examined were the jacket width and the contribution of mesh steel reinforcement in the seismic performance of the enhanced columns. The influence of steel fiber volume fraction was also examined using test results of a previous work of Tsonos et al. (2017). The fourth earthquake damaged subassemblage was strengthened with a conventional RC jacket and was subjected to the same lateral displacement history as the other three retrofitted columns. The seismic behaviour of the subassemblages strengthened according to the proposed retrofit scheme was evaluated with respect to that of the original specimens and that of the column strengthened with the conventional RC jacket. Test results clearly demonstrated that the HSSFC jackets effectively prevented the development of shear failure mechanisms, while ensuring a ductile seismic response similar to that of the subassemblage retrofitted with the conventional RC jacket. Ultimately, an indisputable superiority in the overall seismic performance of the strengthened columns was achieved with respect to the original specimens.

• 한국재료학회지
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• 제14권8호
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• pp.587-594
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• 2004

Three-dimensionally ordered macroporous (3DOM) structures of the $LiCoO_2$ electrode materials for Li secondary batteries were fabricated by using the close-packed arrays of PMMA spheres served as templates. In order to successfully fabricate the cathode materials with highly ordered array form, the metal citrates were applied to new precursors. The precursor/template composites were prepared by the infiltration with metal citrate precursors into the voids of template. By removing the PMMA templates, then, the inverse opal structures with the uniform pores of narrow size distribution were resulted. It was confirmed that the 3DOM $LiCoO_2$ material is to take a single phase of rocksalt (R3m) structure. In addition, 3DOM $LiNiO_2$ and $LiMn_{2}O_4$ cathode materials were fabricated using an identical preparation procedure. Also, the morphology of the 3DOM cathode materials calcined at $500^{\circ}C\;to\;700^{\circ}C$ was observed by scanning electron microscope.

• Journal of electromagnetic engineering and science
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• 제9권3호
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• pp.164-173
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• 2009

In this paper, two new circuit structures for European and U.S. ultra-wide band(UWB) bandpass filters(BPFs) with sharp roll-off characteristics are introduced. We show first that the ultra-wide bandpass property is obtained from a $\lambda$/4 open T resonator with a capacitively coupled $\lambda$/4 short-circuited line, which provides two attenuation poles at lower and upper cutoff frequencies. Then, two identical capacitively coupled input/output lines, which can be $\lambda$/4-length open ends or $\lambda$/2-length short ends, with the T-resonator, are adopted to suppress lower and higher frequency components outside of the pass band. There is coupling between the input and output lines providing two additional transmission zeros in the lower and upper transition bands of the filter. Since the coupling between the T-resonator with the $\lambda$/4 short-circuited line and the input/output lines limits the bandwidth of the filter to the European UWB band, both the $\lambda$/4 short-circuited line and the input/output lines are inserted between the two stacked T-resonators for the U.S. UWB band. The filter structures are simulated with ADS and HFSS and realized with low-temperature co-fired ceramic(LTCC) green tape which has the dielectric constant of 7.8. Measurement results agree well with HFSS simulation results.

• KSBB Journal
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• 제27권4호
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• pp.232-236
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• 2012

Comparative liquid chromatographic enantiomer separation of ${\alpha}$-amino acids, their esters and primary amino compounds was performed using two chiral stationary phases (CSPs) prepared by covalently bonding (+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid (18-C-6-TA) of the same chiral selector. In general, the separation factors and resolution factors for these analytes on CSP 1 were greater than on CSP 2, while these capacity factors on CSP 2 were quite greater than on CSP 1. Except for leucine methyl ester and phenylalanine methyl ester, the elution orders of all analytes including ${\alpha}$-amino ${\alpha}$-alkyl acids and phenylglycine alkyl esters on CSP 1 are identical to those on CSP 2. This study showed that different connecting structures for these two CSPs might influence their ability to resolve the analytes depending on their structures related to the chiral recognition mechanism.

• 대한기계학회논문집A
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• 제20권6호
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• pp.1773-1783
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• 1996

Finite element method(FEM) is one of the most popularly used method analyzing the dynamic behaviors of structures. But unless number of finite elements is large enough, the results from FEM some what different from exact analytical solutions, especially at high frequency range. On the other hand, as the spectral analysis method(SAM) deals directly with the governing equations of a structure, the results from this melthod cannot but be exact regardless of any frequency range. However, the SAM can be applied only to the case where a structure is subjected to the concentrated loads, despite a structure could be unddergone distributed loads more generally. In this paper, therefore, new spectral analysis algorithm is introduced through the spectral element method(SEM), so that it can be applied to anlystructures whether they are subjected to the concentrated loads or to the distributed loads. The results from this new SEM are compared with both the results from FEM and the exact analytical solutions. As expected, the results from new SEM algorithm are found to be almost identical to the exact analytical solutions while those from FEM are not agreed well with the exact analytical solutions as the mode number increases.

• Wind and Structures
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• 제19권3호
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• pp.233-247
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• 2014

Vortex-induced oscillation is a type of aeroelastic phenomenon, to which extended structures such as long-span bridges are most susceptible. The vortex-induced vibration (VIV) behaviors of a concerned bridge were investigated conventionally in virtue of wind tunnel tests on string-mounted sectional models. This necessitates the building of a linkage between the response of the sectional model and that of the prototype structure. Although many released literatures have related to this issue and provided suggestions, there is a lack of consistency among them. In this study, some theoretical models describing the vortex-induced structural motion, including the linear empirical model, the nonlinear empirical model and the modified (or generalized) nonlinear empirical model, are firstly reviewed. Then, the concept of equivalent mass density is introduced based on the principle that an equal input of energy should result in identical structural amplitudes. Based on these, the theoretical linkages between the amplitude of a section model and that corresponding to the prototype bridge are discussed with different analytical models. Theoretical derivation indicates that such connections are dependent mainly on two factors, one is the presupposed shape of deformation, and the other is the theoretical VIV model employed. The theoretical analysis in this study shows that, in comparison to the nonlinear empirical models, the linear one can result in obvious larger estimations of the full bridges' responses, especially in cases of cable-stayed bridges.

• Wind and Structures
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• 제11권5호
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• pp.345-359
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• 2008

An experimental investigation of the flow over the rectangular body located in close proximity to a ground board was reported using the particle image velocimetry (PIV) technique. The present experiments were conducted in a closed-loop open surface water channel with the Reynolds number, $Re_H=1.2{\times}10^4$ based on the model height. In addition to the PIV measurements, flow visualization studies were also carried out. The PIV technique provided instantaneous and time-averaged velocity vectors map, vorticity contours, streamline topology and turbulent quantities at various locations in the near wake. In the vertical symmetry plane, the upperbody flow is separated from the sharp top leading edge of the model and formed a large reverse flow region on the upper surface of the model. The flow structure downstream of the model has asymmetric double vortices. In the horizontal symmetry plane, identical separated flow regions occur on both vertical side walls and a pair of primary recirculatory bubbles dominates the wake region.

• International Journal of Concrete Structures and Materials
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• 제6권1호
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• pp.19-29
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• 2012

In this study, three isolated interior flat slab-column connections that include three types of shear reinforcement details; stirrup, shear stud and shear band were tested under reversed cyclic lateral loading to observe the capacity of slab-column connections. These reinforced joints are 2/3 scale miniatures designed to have identical punching capacities. These experiments showed that the flexural failure mode appears in most specimens while the maximum unbalanced moment and energy absorbing capacity increases effectively, with the exception of an unreinforced standard specimen. Finally, the results of the experiments, as wel l as those of experiments previously carried out by researchers, are applied to the eccentricity shear stress model presented in ACI 318-08. The failure mode is therefore defined in this study by considering the upper limits for punching shear and unbalanced moment. In addition, an intensity factor is proposed for effective widths of slabs that carry an unbalanced moment delivered by bending.

• 한국공간구조학회논문집
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• 제14권3호
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• pp.93-100
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• 2014

Ethylene Tetrafluoroethylene (ETFE) has been widely used in long-span buildings because of its light weight and high transparency. This paper studies the short and long term creep behaviour of ETFE foil. A series of short-term creep and recovery tests were performed, in which the residual strain was observed. A long-term creep test of the ETFE foil was also performed over 110 days. A viscoelastic-plastic model was then established to describe the short-term creep and recovery behaviour. The model contains a traditional multi-Kelvin part and an added steady-flow component to represent the viscoelastic and viscoplastic behaviour, respectively. The model successfully fit the data for three stresses and six temperatures. Additionally, time-temperature equivalency was adopted to predict the long-term creep behaviour of ETFE foil. Horizontal shifting factors were determined from the process of shifting creep-curves at six temperatures. The long-term creep behaviours at three temperatures were predicted. Finally, the long-term creep test showed that the short-term creep test at identical temperatures insufficiently predicted additional creep behaviour, and the long-term test verified the horizontal shifting factors derived from the time-temperature equivalency.