Gopal, Velmani;AL Rashid, Mohammad Harun;Majumder, Sayani;Maiti, Partha Pratim;Mandal, Subhash C
Journal of Pharmacopuncture
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v.18
no.2
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pp.7-18
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2015
Objectives: Lawsone (1,4 naphthoquinone) is a non redox cycling compound that can be catalyzed by DT diaphorase (DTD) into 1,2,4-trihydroxynaphthalene (THN), which can generate reactive oxygen species by auto oxidation. The purpose of this study was to evaluate the toxicity of the phytomarker 1,4 naphthoquinone and its metabolite THN by using the molecular docking program AutoDock 4. Methods: The 3D structure of ligands such as hydrogen peroxide ($H_2O_2$), nitric oxide synthase (NOS), catalase (CAT), glutathione (GSH), glutathione reductase (GR), glucose 6-phosphate dehydrogenase (G6PDH) and nicotinamide adenine dinucleotide phosphate hydrogen (NADPH) were drawn using hyperchem drawing tools and minimizing the energy of all pdb files with the help of hyperchem by $MM^+$ followed by a semi-empirical (PM3) method. The docking process was studied with ligand molecules to identify suitable dockings at protein binding sites through annealing and genetic simulation algorithms. The program auto dock tools (ADT) was released as an extension suite to the python molecular viewer used to prepare proteins and ligands. Grids centered on active sites were obtained with spacings of $54{\times}55{\times}56$, and a grid spacing of 0.503 was calculated. Comparisons of Global and Local Search Methods in Drug Docking were adopted to determine parameters; a maximum number of 250,000 energy evaluations, a maximum number of generations of 27,000, and mutation and crossover rates of 0.02 and 0.8 were used. The number of docking runs was set to 10. Results: Lawsone and THN can be considered to efficiently bind with NOS, CAT, GSH, GR, G6PDH and NADPH, which has been confirmed through hydrogen bond affinity with the respective amino acids. Conclusion: Naphthoquinone derivatives of lawsone, which can be metabolized into THN by a catalyst DTD, were examined. Lawsone and THN were found to be identically potent molecules for their affinities for selected proteins.
Journal of the Korea Academia-Industrial cooperation Society
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v.12
no.12
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pp.5622-5632
/
2011
This paper presents the simulation design and analysis of Integrated Logistics System(ILS) which is operated by using the AGV(Automated Guided Vehicle). To maximize the operation performances of ILS with AGV, many parameters should be considered such as the number, velocity, and dispatching rule of AGV, part types, scheduling, and buffer sizes. We established the design of experiment in a way of Orthogonal Array in order to consider (1)maximizing the throughput; (2)maximizing the vehicle utilization; (3)minimizing the congestion; and (4)maximizing the Automated Storage and Retrieval System(AS/RS) utilization among various critical factors. Furthermore, we performed the optimization by using the simulation-based analysis and Evolution Strategy(ES). As a result, Orthogonal Array which is conducted far fewer than ES significantly saved not only the time but the same outcome when compared after validation test on the result from the two methods. Therefore, this approach ensures the confidence and provides better process for quick analysis by specifying exact experiment outcome even though it provides small number of experiment.
Clustering is a useful technique for grouping data points such that points within a single group/cluster have similar characteristics. Many clustering algorithms have been developed and used in engineering applications including pattern recognition and image processing etc. Recently, it has drawn increasing attention as one of important techniques in data mining. However, clustering algorithms such as K-means and Fuzzy C-means suffer from difficulties. Those are the needs to determine the number of clusters apriori and the clustering results depending on the initial set of clusters which fails to gain desirable results. In this paper, we propose a new clustering algorithm, which solves mentioned problems. In our method we use evolutionary algorithm to solve the local optima problem that clustering converges to an undesirable state starting with an inappropriate set of clusters. We also adopt a new measure that represents how well data are clustered. The measure is determined in terms of both intra-cluster dispersion and inter-cluster separability. Using the measure, in our method the number of clusters is automatically determined as the result of optimization process. And also, we combine heuristic that is problem-specific knowledge with a evolutionary algorithm to speed evolutionary algorithm search. We have experimented our algorithm with several sets of multi-dimensional data and it has been shown that one algorithm outperforms the existing algorithms.
The recent development of embodiment technology of the medical images makes most medical institutions introduce PACS(Picture Archiving and Communication System) in haste. However lots of PACS solutions, currently developed and distributed, haven't been able to serve the convenience of users and to satisfy user's demand because of economic limitations and administrator-oriented considerations in the process of development. So we have developed MIH(Medical Image History), by which we can search and refer to the patient's medical images and information with few restrictions of time and space for diagnosis and treatment. This program will contribute to the improvement in the medical environment and meet the clients' need. We'll make more effort to develop the application which insures the better quality of medical images. MIH manages the patient's image files and medical records like film chart in connection with time. This trial will contribute to the reduction of the economical loss caused by unnecessary references and improve the quality in the medical services. The demand on the development or the program which refers to the medical +ata quickly and keeps them stable will be continued by the medical institute. This will satisfy the client's demand and improve the service to the patients in that tile program will be modified from the standpoint of the users. MIH is trying to keep user-oriented policy and to apply the benefit of the analog system to the digital environment. It is necessary to lead the public to the better understanding that the systematic management and referring of the medical images is as important as the quality of the images.
Lee, Soo Kyung;Na, Byung Hoon;Choi, Hee Ju;Ju, Gun Wu;Jeon, Jin Myeong;Cho, Yong Chul;Park, Yong Hwa;Park, Chang Young;Lee, Yong Tak
Proceedings of the Korean Vacuum Society Conference
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2013.08a
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pp.220-220
/
2013
Surface-normal transmission electro-absorption modulator (EAM) are attractive for high-definition (HD) three-dimensional (3D) imaging application due to its features such as small system volume and simple epitaxial structure [1,2]. However, EAM in order to be used for HD 3D imaging system requires uniform modulation performance over large area. To achieve highly uniform modulation performance of EAM at the operating wavelength of 850 nm, it is extremely important to remove the GaAs substrate over large area since GaAs material has high absorption coefficient below 870 nm which corresponds to band-edge energy of GaAs (1.424 eV). In this study, we propose and experimentally demonstrate a transmission EAM in which highly selective backside etching methods which include lapping, dry etching and wet etching is carried out to remove the GaAs substrate for achieving highly uniform modulation performance. First, lapping process on GaAs substrate was carried out for different lapping speeds (5 rpm, 7 rpm, 10 rpm) and the thickness was measured over different areas of surface. For a lapping speed of 5 rpm, a highly uniform surface over a large area ($2{\times}1\;mm^2$) was obtained. Second, optimization of inductive coupled plasma-reactive ion etching (ICP-RIE) was carried out to achieve anisotropy and high etch rate. The dry etching carried out using a gas mixture of SiCl4 and Ar, each having a flow rate of 10 sccm and 40 sccm, respectively with an RF power of 50 W, ICP power of 400 W and chamber pressure of 2 mTorr was the optimum etching condition. Last, the rest of GaAs substrate was successfully removed by highly selective backside wet etching with pH adjusted solution of citric acid and hydrogen peroxide. Citric acid/hydrogen peroxide etching solution having a volume ratio of 5:1 was the best etching condition which provides not only high selectivity of 235:1 between GaAs and AlAs but also good etching profile [3]. The fabricated transmission EAM array have an amplitude modulation of more than 50% at the bias voltage of -9 V and maintains high uniformity of >90% over large area ($2{\times}1\;mm^2$). These results show that the fabricated transmission EAM with substrate removed is an excellent candidate to be used as an optical shutter for HD 3D imaging application.
Proceedings of the Korean Vacuum Society Conference
/
2013.08a
/
pp.249-249
/
2013
Surface-enhanced Raman spectroscopy (SERS) is a sensitive approach to detect and to identify a variety of molecules. To enhance the Raman signal, optimization of the gap between nanostructures is quite important. One-dimensional materials such as nanowires, nanotubes, and nanograsses have great potential to be used in SERS due to their unique sizes and shape dependent characteristics. In this study we investigate a simple way to fabricate SERS substrates based on randomly grown copper oxide (CuO) nanowires. CuO nanograss is fabricated on pre-cleaned Cu foils. Cu oxidized in an ammonium ambient solution of 2.5 M NaOH and 0.1 M $(NH_4)_2S_2O_8$ at $4^{\circ}C$ for 10, 30, and 60 minutes. Then, Cu(OH)2 nanostructures are formed and dried at $180^{\circ}C$ for 2 h. With the drying process, the Cu(OH)2 nanostructure is transformed to CuO nanograss by dehydration reaction. CuO nanograss are grown randomly on Cu foil with the average length of 10 ${\mu}m$ and the average diameter of a 100 nm. CuO nanograsses are covered by Ag with various thicknesses from 10 to 30 nm using a thermal evaporator. Then, we immerse uncoated and Ag coated CuO nanowire samples of various oxidation times in a 0.001M methanol-based 4-mercaptopyridine (4-Mpy) in order to evaluate SERS enhancement. Raman shift and SERS enhancement are measured using a Raman spectrometer (Horiba, LabRAM ARAMIS Spectrometer) with the laser wavelength of 532 nm. Raman scattering is believed to be enhanced by the interaction between CuO nanograss and Ag island film. The gaps between Ag covered CuO nanograsses are diverse from <10 nm at the bottom to ~200 nm at the top of nanograsses. SERS signal are improved where the gaps are minimized to near 10s of nanometers. There are many spots that provide sufficiently narrow gap between the structures on randomly grown CuO nanograss surface. Then we may find optimal enhancement of Raman signal using the mapping data of average results. Fabrication of CuO nanograss based on a solution method is relatively simple and fast so this result can potentially provide a path toward cost effective fabrication of SERS substrate for sensing applications.
Using agar and gelatin as wall materials, onion oil was microencapsulated using the extrusion spraying technology. A sensitive methodology was developed for quantitative determination of the microencapsulation yield through ethyl acetate extraction and gas chromatographic analyses. Optimal conditions for the microencapsulation process consisting of the ratio of [core material, Cm] to [wall material, Wm] ($X_1$), temperature of dispersion fluid ($X_2$), detergent concentration in dispersion fluid ($X_3$), and concentration of emulsifier $(X_4)$ were determined using response surface methodology. The regression model equation for the yield of microencapsulation (Y, %) of onion oil could be predicted as $Y\;=\;97.028571-0.775000\;(X_1)-0.746726\;(X_1){\cdot}(X_1)\;-\;1.100000\;(X_3){\cdot}(X_2)$. The optimal conditions for the microencapsulation of the onion oil were determined as the ratio of [core material] to [wall material] of 4.5 : 5.5 (w/w), the temperature of dispersion fluid of $17.1^{\circ}C$ detergent concentration in dispersion fluid of 0.03%, and the concentration of emulsifier of 0.42%. Results revealed the most stable microcapsule of onion oil could be formed with the highest yield of microencapsulation (more than 95%) under optimal conditions.
Kim, Jong-Hwan;Park, Hea-Sook;Moon, Chang-Joo;Baik, Doo-Kwon
The KIPS Transactions:PartD
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v.10D
no.2
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pp.233-246
/
2003
The mediator-based system integrates heterogeneous information systems with the flexible manner. But it does not give much attention on the query optimization issues, especially for the query reusing. The other thing is that it does not use standardized metadata for schema matching. To improve this two issues, we propose mediator-based Distributed Information Integration System (DIIS) which uses query caching regarding performance and uses ISO/IEC 11179 metadata registry in terms of standardization. The DIIS is designed to provide decision-making support, which logically integrates the distributed heterogeneous business information systems based on the Web environment. We designed the system in the aspect of three-layer expression formula architecture using the layered pattern to improve the system reusability and to facilitate the system maintenance. The functionality and flow of core components of three-layer architecture are expressed in terms of process line diagrams and assembly line diagrams of Eriksson Penker Extension Model (EPEM), a methodology of an extension of UML. For the implementation, Supply Chain Management (SCM) domain is used. And we used the Web-based environment for user interface. The DIIS supports functions of query caching and query reusability through Query Function Manager (QFM) and Query Function Repository (QFR) such that it enhances the query processing speed and query reusability by caching the frequently used queries and optimizing the query cost. The DIIS solves the diverse heterogeneity problems by mapping MetaData Registry (MDR) based on ISO/IEC 11179 and Schema Repository (SCR).
Full-waveform inversion (FWI) is an optimization process of fitting observed and modeled data to reconstruct high-resolution subsurface physical models. In acoustic FWI (AFWI), pressure data acquired using a marine streamer has mainly been used to reconstruct the subsurface P-wave velocity models. With recent advances in marine seismic-acquisition techniques, acquiring multi-component data in marine environments have become increasingly common. Thus, AFWI strategies must be developed to effectively use marine multi-component data. Herein, we proposed an AFWI strategy using horizontal and vertical particle-acceleration data. By analyzing the modeled acoustic data and conducting sensitivity kernel analysis, we first investigated the characteristics of each data component using AFWI. Common-shot gathers show that direct, diving, and reflection waves appearing in the pressure data are separated in each component of the particle-acceleration data. Sensitivity kernel analyses show that the horizontal particle-acceleration wavefields typically contribute to the recovery of the long-wavelength structures in the shallow part of the model, and the vertical particle-acceleration wavefields are generally required to reconstruct long- and short-wavelength structures in the deep parts and over the whole area of a given model. Finally, we present a sequential-inversion strategy for using the particle-acceleration wavefields. We believe that this approach can be used to reconstruct a reasonable P-wave velocity model, even when the pressure data is not available.
Journal of the Society of Naval Architects of Korea
/
v.30
no.3
/
pp.116-126
/
1993
The finite element method(FEM) has been commonly used for structural dynamic analysis. However, the direct global application of FEM to large complex structures such as ships and offshore structures requires considerable computational efforts, and remarkably more in structural dynamic optimization problems. Adoption of the component-mode synthesis method is an efficient means to overcome the above difficulty. Among three classes of the component-mode synthesis method, the free-interface mode method is recognized to have the advantages of better computational efficiency and easier implementation of substructures' experimental results, but the disadvantage of lower accuracy in analytical results. In this paper, an advanced method to improve the accuracy in the application of the free-interface mode method for the vibration analysis of large complex structures is presented. In order to compensate the truncation effect of the higher modes of substructures in the synthesis process, both residual inertia and stiffness effects are taken into account and a frequency shifting technique is introduced in the formulation of the residual compliance of substructures. The introduction of the frequency shrift ins not only excludes cumbersome manipulation of singular matrices for semi-definite substructural systems but gives more accurate results around the specified shifting frequency. Numerical examples of typical structural models including a ship-like two dimensional finite element model show that the analysis results based on the presented method are well competitive in accuracy with those obtained by the direst global FEM analysis for the frequencies which are lower than the highest one employed in the synthesis with remarkably higher computational efficiency and that the presented method is more efficient and accurate than the fixed-interface mode method.
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