• Title/Summary/Keyword: Reaction model

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Study of in Silico Simulation Method for Dynamic Network Model in Lactic Acid Bacteria (Lactic Acid Bacteria의 동역학 네트워크 모델을 이용한 in Silico 모사방법 연구)

  • Jung, Ui-Sub;Lee, Hye-Won;Lee, Jin-Won
    • Journal of Institute of Control, Robotics and Systems
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    • v.11 no.10
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    • pp.823-829
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    • 2005
  • We have newly constructed an in silico model of fermentative metabolism for Lactococcus lactis in order to analyze the characteristics of metabolite flux for dynamic network. A rigorous mathematical model for metabolic flux has been developed and simulation researches have been performed by using GEPASI program. In this simulation task, we were able to predict the whole flux distribution trend for lactate metabolism and analyze the flux ratio on the pyruvate branch point by using metabolic flux analysis(MFA). And we have studied flux control coefficients of key reaction steps in the model by using metabolic control analysis(MCA). The role of pyruvate branch seems to be essential for the secretion of lactate and other organic byproducts. Then we have made an effort to elucidate its metabolic regulation characteristics and key reaction steps, and find an optimal condition for the production of lactate.

A Convergent Synthetic Study of Biologically Active Benzofuran Derivatives

  • Hu, Kun;Jeong, Jin-Hyun
    • Archives of Pharmacal Research
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    • v.29 no.6
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    • pp.476-478
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    • 2006
  • In order to construct a benzofuran library, we developed a model study of benzbromarone. Synthesis has been achieved in 53% overall yield, starting from phenol via the key intermediate 2-ethylbenzofuran which was afforded by intramolecular Wittig reaction.

Diastereoselectivity in the Reaction of 2-Piperidineacetates

  • 정현규;김형우;정규현
    • Bulletin of the Korean Chemical Society
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    • v.20 no.3
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    • pp.325-328
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    • 1999
  • In the reactions of the enolates of various 2-piperidineacetates with iodomethane or trisyl azide, the anti isomer was always predominant over the syn one, independent of the stereochemistry of the piperidineacetates. The piperidineacetates having OTBDMS moiety at C5 proceeded more diastereoselectively than the compounds without the substituent. The diastereoselectivity could be explained by perpendicular model for the electrophilic substitution reaction.

Application of Water-Quality Management Model for Upstream Basin of Hoengsung Dam (횡성댐 상류유역에 대한 수질관리모형의 적용)

  • Kim, Sang Ho;Lee, Eul Rae
    • Journal of Korean Society on Water Environment
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    • v.24 no.2
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    • pp.239-246
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    • 2008
  • In this study, an optimized deterministic water-quality model was constructed to estimate water quality of a river and lake in the upstream basin of a dam. A stochastic water-quality analysis using reliability analysis technique was applied to the model. The model was tested in the 13.9 km reach from Maeil stage station of Kyechun to Hoengsung Dam of Sum River. After finding hydraulic characteristics from nonuniform flow analysis, Broyden-Fletcher-Goldfarb-Shanno (BFGS) optimization technique for model calibration was applied to determine optimum reaction parameters, and model verification was performed based on these. The stochastic model, using Mean First­Order Second­-Moment (MFOSM) and Monte-Carlo methods, was applied to the same reach as the deterministic study. Variations of discharge and water quality in headwater were considered, as well as variations of hydraulic coefficients and reaction coefficients. The statistical results of output variables from MFOSM were similar to those from the Monte-Carlo method. Risk analysis using MFOSM and Monte-Carlo methods presented the probabilities of some locations in the Hoengsung Lake violating existing water-quality standards in terms of DO and BOD.

The prediction Models for Clearance Times for the unexpected Incidences According to Traffic Accident Classifications in Highway (고속도로 사고등급별 돌발상황 처리시간 예측모형 및 의사결정나무 개발)

  • Ha, Oh-Keun;Park, Dong-Joo;Won, Jai-Mu;Jung, Chul-Ho
    • The Journal of The Korea Institute of Intelligent Transport Systems
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    • v.9 no.1
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    • pp.101-110
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    • 2010
  • In this study, a prediction model for incident reaction time was developed so that we can cope with the increasing demand for information related to the accident reaction time. For this, the time for dealing with accidents and dependent variables were classified into incident grade, A, B, and C. Then, fifteen independent variables including traffic volume, number of accident-related vehicles and the accidents time zone were utilized. As a result, traffic volume, possibility of including heavy vehicles, and an accident time zone were found as important variables. The results showed that the model has some degree of explanatory power. In addition, when the CHAID Technique was applied, the Answer Tree was constructed based on the variables included in the prediction model for incident reaction time. Using the developed Answer Tree model, accidents firstly were classified into grades A, B, and C. In the secondary classification, they were grouped according to the traffic volume. This study is expected to make a contribution to provide expressway users with quicker and more effective traffic information through the prediction model for incident reaction time and the Answer Tree, when incidents happen on expressway

Correlation between sway magnitude and joint reaction force during postural balance control (자세 균형 제어 시 동요의 강도와 관절 반발력의 상관관계)

  • 서민좌;조원학;최현기
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2004.10a
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    • pp.1160-1165
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    • 2004
  • The purpose of this study was to calculate three dimensional angular displacements, moments and joint reaction forces of the ankle joint during the waist pulling, and to assess the ankle joint reaction forces according to different perturbation modes and different levels of perturbation magnitude. Ankle joint model was assumed 3-D ball and socket joint which is capable of three rotational movements. We used 6 cameras, force plate and waist pulling system. Two different waist pulling systems were adopted for forward sway with three magnitudes each. From motion data and ground reaction forces, we could calculate 3-D angular displacements, moments and joint reaction forces during the recovery of postural balance control. From the experiment using falling mass perturbation, joint moments were larger than those from the experiment using air cylinder pulling system with milder perturbation. However, JRF were similar nevertheless the difference in joint moment. From this finding, we could conjecture that the human body employs different strategies to protect joints by decreasing joint reaction forces, like using the joint movement of flexion or extension or compensating joint reaction force with surrounding soft tissues. Therefore, biomechanical analysis of human ankle joint presented in this study is considered useful for understanding balance control and ankle injury mechanism.

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Development of Grilled-type Shrimp Flavor by Maillard Reaction and Sensory Evaluation

  • Kim, Myung-Chan;Oh, Jung-Hwan;Kim, Bong-Yeon;Cho, Sueng-Mock;Lee, Da-Sun;Nam, Min-Hee;Kim, Seon-Bong;Lee, Yang-Bong
    • Preventive Nutrition and Food Science
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    • v.15 no.4
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    • pp.309-315
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    • 2010
  • A grilled-type shrimp flavor was developed through the Maillard reaction to reduce or mask fish odor or off-flavor in seafood. Model systems were created by using enzymatic hydrolysate of shrimp and adding precursors to increase flavor quality and stability. Amino acid precursors such as cysteine and methionine, sugar precursors such as glucose, xylose, ribose, and sucrose, and one particular compound of glucosamine were tried and their flavor qualities were tested by sensory evaluation. Also, the optimum reaction condition was investigated using the pH values of pH 5, 6, 7, and 8 with reaction times of 1 hr, 2 hr and 3 hr after the best precursors were determined. The best condition of the precursors for grilled-type shrimp flavor was the mixtures of methionine, threonine, xylose, and glucosamine. The optimum reaction condition was at pH 8.0 and 2 hr reaction time.

Development of Boiled-type Shrimp Flavor by Maillard Reaction and Sensory Evaluation

  • Kim, Myung-Chan;Oh, Jung-Hwan;Kim, Bong-Yeon;Cho, Sueng-Mock;Lee, Da-Sun;Nam, Min-Hee;Lee, Yang-Bong;Kim, Seon-Bong
    • Preventive Nutrition and Food Science
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    • v.15 no.4
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    • pp.304-308
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    • 2010
  • Boiled-type shrimp flavor was developed using Maillard reaction to reduce or mask fish odor or off-flavor in seafood. Model systems were created using enzymatic hydrolysate of shrimp and adding precursor compounds to increase flavor quality and stability. Amino acid precursors of cysteine and methionine and sugar precursors such as glucose, xylose, ribose and sucrose were tried and their flavor qualities were tested by sensory evaluation. After the optimal precursors were determined, the optimum reaction condition was investigated using pHs of 5, 6, 7, and 8 and reaction times of 1, 2 and 3 hours. The best precursors for boiled-type shrimp flavor were methionine and sucrose. The optimum reaction condition was pH 8.0 and a one hour reaction time.

Dynamics of Gas-phase Hydrogen Atom Reaction with Chemisorbed Hydrogen Atoms on a Silicon Surface

  • 임선희;이종백;김유항
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1136-1144
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    • 1999
  • The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.