• Title/Summary/Keyword: optimization method

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Computational Optimization of Bioanalytical Parameters for the Evaluation of the Toxicity of the Phytomarker 1,4 Napthoquinone and its Metabolite 1,2,4-trihydroxynapththalene

  • 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.

ELISA Development for the residue of the organophosphorus insecticide acephate (ELISA에 의한 유기인계 살충제 Acephate 잔류물 분석법 개발)

  • Lee, Jae-Koo;Ahn, Ki-Chang;Stoutamire, Donald W.;Gee, Shirley J.;Hammock, Bruce D.
    • The Korean Journal of Pesticide Science
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    • v.5 no.2
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    • pp.1-12
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    • 2001
  • A competitive indirect enzyme-linked immunosorbent assay (ci ELISA) for the organophosphorus insecticide acephate, O,S-dimethyl acetylphosphoramidothioate, was developed using a polyclonal antibody. Three different haptens mimicking the analyze and containing hexanoic acid moiety as a linker were synthesized, and then conjugated with the carrier proteins bovine serum albumin and keyhole limpet hemocyanin by the N-hydroxysuccinimide active ester method. Polyclonal antibodies raised against hapten-KLH conjugates in rabbits and the hapten-BSA conjugates as coating antigens were screened and selected for the assay in the homologous and/or heterologous ELISA system. The effects of various assay conditions, including blocking reagents, detergent content, organic solvents, pH, and preincubation of tile mixture of the polyclonal antibody and the analyze on the sensitivity were evaluated. The $IC_{50}$ value of acephate of 110 ng/mL was obtained in an optimized heterologous system using hapten-3-BSA as a coating antigen and a polyclonal antibody 8377, showing the detection range of 10-1000 ng/mL and the lowest detection limit of 4 ng/mL. The cross-reactivities of the structurally related insecticides, including methamidophos were less than 0.02%. These results indicate that the ELISA could be a convenient and alternative tool for monitoring acephate residues in agricultural products and environmental samples.

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Design of Experiment and Analysis Method for the Integrated Logistics System Using Orthogonal Array (직교배열을 이용한 통합물류시스템의 실험 설계 및 분석방법)

  • Park, Youl-Kee;Um, In-Sup;Lee, Hong-Chul
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.12 no.12
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    • pp.5622-5632
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    • 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.

Development of a Photoplethysmographic method using a CMOS image sensor for Smartphone (스마트폰의 CMOS 영상센서를 이용한 광용적맥파 측정방법 개발)

  • Kim, Ho Chul;Jung, Wonsik;Lee, Kwonhee;Nam, Ki Chang
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.16 no.6
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    • pp.4021-4030
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    • 2015
  • Pulse wave is the physiological responses through the autonomic nervous system such as ECG. It is relatively convenient because it can measure the signal just by applying a sensor on a finger. So, it can be usefully employed in the field of U-Healthcare. The objects of this study are acquiring the PPG (Photoplethysmography) one of the way of measuring the pulse waves in non-invasive way using the CMOS image sensor on a smartphone camera, developing the portable system judging stressful or not, and confirming the applicability in the field of u-Healthcare. PPG was acquired by using image data from smartphone camera without separate sensors and analyzed. Also, with that image signal data, HRV (Heart Rate Variability) and stress index were offered users by just using smartphone without separate host equipment. In addition, the reliability and accuracy of acquired data were improved by developing additional hardware device. From these experiments, we can confirm that measuring heart rate through the PPG, and the stress index for analysis the stress degree using the image of a smartphone camera are possible. In this study, we used a smartphone camera, not commercialized product or standardized sensor, so it has low resolution than those of using commercialized external sensor. However, despite this disadvantage, it can be usefully employed as the u-Healthcare device because it can obtain the promising data by developing additional external device for improvement reliability of result and optimization algorithm.

Analysis of Response Time and Reflectivity According to Driving Conditions of Barrier Rib-Type E-Paper Fabricated by Charged Particle Filtering Method (격벽형 전자종이의 하전입자 필터링 방법 및 구동조건에 따른 응답시간 및 반사율 분석)

  • Lee, Joo-Won;Kim, Young-Cho
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.33 no.6
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    • pp.475-482
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    • 2020
  • For electronic paper displays using electrophoresis, the response time and reflectivity of the image panel fabricated by filtering are analyzed. For the filtering process, a square wave and ramp wave are applied to white charged particles with a unique q/m value. We divide the sample panels into #1 to #4 according to the applied waveform in the filtering process. Step waves comprising two steps are used to drive the panel; therefore, we divide the driving conditions into D1~D4. The applied voltage at the first stage of the half cycle of the driving waveform moves the charged particles attached via the image force from the electrode, and the applied voltage at the second stage moves the floating charged particles by detaching. As mentioned, four types of driving conditions (D1 to D4) classified according to the half cycle of the driving waveform are applied to the samples #1 to #4), which are classified according to four types of filtering process. When driving condition D1 is applied to the four types of sample panels, the rise time of #1 is 1.59s, #2 is 1.706s, #3 is 1.853s, and #4 is 1.235s, resulting in #4 being relatively faster compared with other sample panels, and showing the same trend in other driving conditions. As a result, we confirm that applying the driving condition D1 causes abrupt movement of the white charged particles injected into the cell. When the same driving waveform (D1) is applied to each sample, reflectivities of 32.1% for #1, 31.4% for #2, 27.9% for #3, and 63.4% for #4 are measured. From the experiment, we confirm that the driving condition D1 (1s of 3.5 V, 9s of 3.0 V) and ramp wave #4 in filtering are desirable for good reflectivity and response time. Our research is expected to contribute to the improvement of the filtering process and optimization of the driving waveform.

Design and Optimization of a Biomass Production System Combined with Wind Power Generation and LED on Marine Environment (LED가 결합된 야간풍력발전 활용을 포함한 해상환경 바이오매스 생산시스템의 최적 설계)

  • Hong, Gi Hoon;Cho, Sunghyun;Kang, Hoon;Park, Jeongpil;Kim, Tae-Ok;Shin, Dongil
    • Journal of the Korean Institute of Gas
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    • v.19 no.2
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    • pp.74-82
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    • 2015
  • Carbon dioxide was designated as one of greenhouse gases that cause global warming. Among various ways to solve the $CO_2$ emission issue, the 3rd-generation biomass (algae) production is considered as a viable method to reduce $CO_2$ in the atmosphere. In this research, we propose a design of an innovative sustainable production system by utilizing the 3rd generation biomass in the environment of floating production storage and offloading (FPSO). Existing biomass production systems depend on the solar energy and they cannot continue producing biomass at night. Electricity produced from offshore wind farms also need an efficient way to store the energy through energy storage system (ESS) or deliver it real-time through power grid, both requiring heavy investment of capital. Thus, we design an offshore grid structure harnessing LED lights to supply the necessary light energy, by using the electricity produced from the wind farm, resulting in the maximized production of biomass and efficient use of wind farm energy. The final design integrates the biomass production system enhanced by LED lights with a wind power generation. The suggested NLP model for the optimal design, implemented in GAMS, would be useful for designing improved offshore biomass production systems combined with the wind farm.

A study on the optimization of referring method about medical images using MIH(Medical Image History) (MIH(Medical Image History)을 이용한 의료영상조회의 최적화 연구)

  • Kim, Sun-Chil;Kim, Jung-Min
    • Journal of radiological science and technology
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    • v.25 no.2
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    • pp.57-64
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    • 2002
  • 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.

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Development of an Optimization Technique of CETOP-D Inlet Flow Factor for Reactor Core Thermal Margin Improvement (원자로심의 열적여유도 증대를 위한CETOP-D의 입구유량인자 최적화 기법 개발)

  • Hong, Sung-Deok;Lim, Jong-Seon;Yoo, Yeon-Jong;Kwon, Jung-Tack;Park, Jong-Ryul
    • Nuclear Engineering and Technology
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    • v.27 no.4
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    • pp.562-570
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    • 1995
  • The recent ABB/CE(Asea Brown Boveri Combustion Engineering) type pressurized oater reactor-s have the on-line monitoring system, i.e., the COLSS(core operating limit supervisory system), to prevent the specified acceptable fuel design limits from being violated during normal operation and anticipated operational occurrences. One of the main functions of COLSS is the on-line monitoring of the DNB(departure from nucleate boiling) overpower margin by calculating the MDNBR(mini-mum DNB ratio) for the measured operating condition at every second. The CETOP-D model, used in the MDNBR calculation of COLSS, is benchmarked conservatively against the TORC mod-el using an inlet flow factor of hot assembly in CETOP-D as an adjustment factor for TORC. In this study, a technique to optimize the CETOP-D inlet flow factor has been developed by elim-inating the excessive conservatism in the ABB/CE's. A correlation is introduced to account for the actual variation of the CETOP-D inlet flow factor within the core operating limits. This technique was applied to the core operating range of the YongGwang Units 3&4 Cycle 1, which results in the increase of 2% in the DNB overpower margin at the normal operating condition, compared with that from the ABB/CE method.

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Application of a Penalty Function to Improve Performance of an Automatic Calibration for a Watershed Runoff Event Simulation Model (홍수유출 모형 자동 보정의 벌칙함수를 이용한 기능 향상 연구)

  • Kang, Taeuk;Lee, Sangho
    • Journal of Korea Water Resources Association
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    • v.45 no.12
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    • pp.1213-1226
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    • 2012
  • Evolutionary algorithms, which are frequently used in an automatic calibration of watershed runoff simulation models, are unconstrained optimization algorithms. An additional method is required to impose constraints on those algorithms. The purpose of the study is to modify the SCE-UA (shuffled complex evolution-University of Arizona) to impose constraints by a penalty function and to improve performance of the automatic calibration module of the SWMM (storm water management model) linked with the SCE-UA. As indicators related to peak flow are important in watershed runoff event simulation, error of peak flow and error of peak flow occurrence time are selected to set up constraints. The automatic calibration module including the constraints was applied to the Milyang Dam Basin and the Guro 1 Pumping Station Basin. The automatic calibration results were compared with the results calibrated by an automatic calibration without the constraints. Error of peak flow and error of peak flow occurrence time were greatly improved and the original objective function value is not highly violated in the automatic calibration including the constraints. The automatic calibration model with constraints was also verified, and the results was excellent. In conclusion, the performance of the automatic calibration module for watershed runoff event simulation was improved by application of the penalty function to impose constraints.

Robust parameter set selection of unsteady flow model using Pareto optimums and minimax regret approach (파레토 최적화와 최소최대 후회도 방법을 이용한 부정류 계산모형의 안정적인 매개변수 추정)

  • Li, Li;Chung, Eun-Sung;Jun, Kyung Soo
    • Journal of Korea Water Resources Association
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    • v.50 no.3
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    • pp.191-200
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    • 2017
  • A robust parameter set (ROPS) selection framework for an unsteady flow model was developed by combining Pareto optimums obtained by outcomes of model calibration using multi-site observations with the minimax regret approach (MRA). The multi-site calibration problem which is a multi-objective problem was solved by using an aggregation approach which aggregates the weighted criteria related to different sites into one measure, and then performs a large number of individual optimization runs with different weight combinations to obtain Pareto solutions. Roughness parameter structure which can describe the variation of Manning's n with discharges and sub-reaches was proposed and the related coefficients were optimized as model parameters. By applying the MRA which is a decision criterion, the Pareto solutions were ranked based on the obtained regrets related to each Pareto solution, and the top-rated one due to the lowest aggregated regrets of both calibration and validation was determined as the only ROPS. It was found that the determination of variable roughness and the corresponding standardized RMSEs at the two gauging stations varies considerably depending on the combinations of weights on the two sites. This method can provide the robust parameter set for the multi-site calibration problems in hydrologic and hydraulic models.