• Bulletin of the Korean Chemical Society
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• v.31 no.9
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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.

• Journal of Radiation Protection and Research
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• v.20 no.4
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• pp.227-236
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• 1995

Using beam data and accurate 3D dose model, a study of the spatial dose distribution for various arcs was carried out. The dose dirstibution generated by the accurate dose model could be represented by a simple approximate analytic form which is convenient and very efficient for calculating dose distribution iteratively in the optimization procedure. We developed an empirical cylindrical dose model to compute dose for one full rotational arc or partial rotational arc. After a tedious search for fits to a collection of 200 points of accurate dose data, we found simple formular with 7 parameters search. As a consequence, the programs required approximately less than 1 second to compute dose for one single arc on a 20 by 20 matrix (400 points) using fast approximate dose model. In conclusion the fast approximate dose model give dose distributions similar to the accurate dose model, which makes this fast dose model an attractive alternative to the accurate 3D dose model.

• Journal of the Korea institute for structural maintenance and inspection
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• v.16 no.6
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• pp.56-62
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• 2012

The results presented in this paper form part of an investigation into the optimization of a ternary blended cementitious system based on ordinary Portland cement (OPC)/blast furnace slag(BFS)/fly ash(FA) for the development of ultra high strength concrete. Concrete covering a wide range of BFS/FA blending proportions were investigated. Compressive strength at the ages of 3, 7 and 28 days for concrete specimens containing 0%, 10%, 20% and 30%FA along with 0%, 30%, 40% and 50%BFS as partial cement replacement at a water-binder ratio of 0.18 were investigated. Tests on porosity and pore size distribution were conducted using mercury intrusion porosimetry. The results show that the combination of FA10 and BFS30 can improve both short- and long-term properties of concrete as results of reducing of pores larger than 50nm.

• Archives of Plastic Surgery
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• v.47 no.3
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• pp.209-216
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• 2020

Background Perforator flaps have led to a revolution in reconstructive surgery by reducing donor site morbidity. However, many surgeons have witnessed partial flap necrosis. Experimental methods to increase inflow have relied on adding a separate pedicle to the flap. The aim of our study was to experimentally determine whether increasing blood flow in the perforator pedicle itself could benefit flap survival. Methods In 30 male Lewis rats, an extended posterior thigh perforator flap was elevated and the pedicle was dissected to its origin from the femoral vessels. The rats were assigned to three groups: control (group I), acute inflow (group II) and arterial preconditioning (group III) depending on the timing of ligation of the femoral artery distal to the site of pedicle emergence. Digital planimetry was performed on postoperative day (POD) 7 and all flaps were monitored using laser Doppler flowmetry perioperatively and postoperatively in three regions (P1-proximal flap, P2-middle of the flap, P3-distal flap). Results Digital planimetry showed the highest area of survival in group II (78.12%±8.38%), followed by groups III and I. The laser Doppler results showed statistically significant higher values in group II on POD 7 for P2 and P3. At P3, only group II recorded an increase in the flow on POD 7 in comparison to POD 1. Conclusions Optimization of arterial inflow, regardless if performed acutely or as preconditioning, led to increased flap survival in a rat perforator flap model.

• Applied Chemistry for Engineering
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• v.23 no.4
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• pp.394-398
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• 2012

Astragalin (AS), kaempferol monoglycoside, is classified as a polyphenol, and a minute quantity of AS is known to be present in several plants. Recently, it was reported that AS can be prepared by the partial hydrolysis of camelliaside A (CamA) and camelliaside B (CamB) in the tea seed extract (TSE) in the presence of a commercial enzyme complex such as Mash. In this paper, the effects of reaction temperature, amount of enzyme, and the substrate concentration on the reactivity were investigated. As the reaction temperature or the amount of enzyme increased, the reaction rate to produce AS increased, however, the hydrolysis of AS into KR was also enhanced. As a conclusion, the reaction, when 2 mL of Mash to 1 g of TSE was applied with a substrate concentration of 15% at $50^{\circ}C$, was found to be optimum, based on the reaction rate and the selectivity to AS.

• The Journal of Korean Institute of Communications and Information Sciences
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• v.33 no.11C
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• pp.925-931
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• 2008

In video coding standard H.264/AVC, variable block size mode algorithm improves compression efficiency but has need of a large amount of computation for various block modes and mode decision. Meanwhile, decided inter block modes depend on the complexity of a block image, and then the more complex a macroblock is, the smaller its block size is. This paper proposes fast inter block mode decision algorithm. It limits valid block modes to the block modes with a great chance for decision using the image complexity and carries out motion estimation rate-distortion optimization with only the valid block modes. In addition to that, it applies fast motion estimation PDE to the valid block modes with only the $16{\times}16$ block mode. The reference software JM 9.5 was executed to estimate the proposed algorithm's performance. The simulation results showed that the proposed algorithm could save about 24.12% of the averaged motion estimation time while keeping the image quality and the bit rate to be -0.02dB and -0.12% on the average, respectively.

• The Korean Journal of Mycology
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• v.39 no.2
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• pp.117-121
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• 2011

To produce the functional food materials, 50 kinds of the mycelial extracts from edible mushroom were examined for anticoagulant activity and Phellinus linteus showed the highest activity through the activated partial thromboplastin test (aPTT). The maximum production of anticoagulant activity and the mycelial growth was observed in culture medium containing soluble starch 3.0%, peptone 0.1%, $MgSO_4{\cdot}7H_2O^{\circ}C$ 0.1%, $K_2HPO_4$ 0.1% and in the culture conditions controlled at initial pH 7.0, $30^{\circ}C$ and 150 rpm by the rotary shaker. In addition, the maximum production of mycelial dry weight was 7.5 mg/mL after 10 days under the optimal conditions, and anticoagulant activity was reached to 390 sec in 5 L-jar fermentor.

• Journal of Welding and Joining
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• v.35 no.2
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• pp.43-51
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• 2017

The automatic welding systems, have received much attention in recent years, because they are highly suitable not only to increase the quality and productivity, but also to decrease manufacturing time and cost for a given product. Automatic welding work in semiconductor or space industry to be carried out in pipe line and butt joint mostly and plasma arc welding(PAW) is actively applied. To get the desired quality welds in automated welding system is challenging, a mathematical model is needed that has complete control over the relevant process parameters in order to obtain the required mechanical properties. However, In various industries the welding process mathematical model is not fully formulated for the process parameter and on the welding conditions, therefore only partial variables can be predicted. Therefore, this paper investigates the interaction between the welding parameters and mechanical properties for predicting the weld bead geometry by analyzing the S/N ratio.

• Journal of Ginseng Research
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• v.24 no.2
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• pp.58-63
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• 2000

To develop the production of ginseng root using plant tissue culture technology, submerged culture conditions were optimized by means of the fractional factorial design with 4 factors and 3 levels by a RSM computer program. The ginseng (Panax ginseng C. A. Meyer) roots induced by plant growth regulators were cultured on SH medium and the effects of various pH of medium, sucrose concentration, nitrogen concentration and phosphate concentration on fresh weight of the ginseng root were investigated. The fresh weight of ginseng root increased with a decrease in nitrogen concentration and fresh weight of ginseng root varied from 1.00 to 2.33g under various conditions. The optimum pH of medium and sucrose concentration determined by a partial differentiation of the model equation, nitrogen and phosphate concentration were pH 5.6, sucrose 3.8%, nitrogen 50 mg/L and phosphate 80.7 mg/L, respectively. Under these conditions, the predicted growth of ginseng root was estimated to be 2.36g.

• Journal of applied mathematics & informatics
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• v.11 no.1_2
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• pp.305-316
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• 2003

Recently, an iterative algorithm for finding the interior eigenvalues of a definite matrix by CG-type method has been proposed. This method compares to the inverse power method. The given matrices A, and B are assumed to be large and sparse, and SPD( Symmetric Positive Definite) The CG scheme for the optimization of the Rayleigh quotient has been proven a very attractive and promising technique for large sparse eigenproblems for smallest eigenvalue. Also, it is very amenable to parallel computations, like the CG method for the linear systems. A proper choice of the preconditioner significantly improves the convergence of the CG scheme. But for parallel computations we need to find an efficient parallel preconditioner. Our candidates we ILU(0) in the wave-front order, ILU(0) in the multi-coloring order, Point-SSOR(Symmetric Successive Overrelaxation), and Multi-Color Block SSOR preconditioner. Wavefront order is a simple way to increase parallelism in the natural order, and Multi-coloring realizes a parallelism of order(N), where N is the order of the matrix. Another choice is the Multi-Color Block SSOR(Symmetric Successive OverRelaxation) preconditioning. Block SSOR is a symmetric preconditioner which is expected to minimize the interprocessor communication due to the blocking. We implemented the results on the CRAY-T3E with 128 nodes. The MPI (Message Passing Interface) library was adopted for the interprocessor communications. The test problem was drawn from the discretizations of partial differential equations by finite difference methods. The results show that for small number of processors Multi-Color ILU(0) has the best performance, while for large number of processors Multi-Color Block SSOR performs the best.