• Title/Summary/Keyword: nonlinear chemical process

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BIOLOGICALLY-BASED DOSE-RESPONSE MODEL FOR NEUROTOXICITY RISK ASSESSMENT

  • Slikker, William Jr.;Gaylor, David W.
    • Toxicological Research
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    • v.6 no.2
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    • pp.205-213
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    • 1990
  • The regulation of neurotoxicants has usually been based upon setting reference doses by dividing a no observed adverse effect level (NOAEL) by uncertainty factors that theoretically account for interspecies and intraspecies extraploation of experimental results in animals to humans. Recently, we have proposed a four-step alternative procedure which provides quantitative estimates of risk as a function of dose. The first step is to establish a mathematical relationship between a biological effect or biomarker and the dose of chemical administered. The second step is to determine the distribution (variability) of individual measurements of biological effects or their biomarkers about the dose response curve. The third step is to define an adverse or abnormal level of a biological effect or biomarker in an untreated population. The fourth and final step is to combine the information from the first three steps to estimate the risk (proportion of individuals exceeding on adverse or abnormal level of a biological effect or biomarker) as a function of dose. The primary purpose of this report is to enhance the certainty of the first step of this procedure by improving our understanding of the relationship between a biomarker and dose of administered chemical. Several factors which need to be considered include: 1) the pharmacokinetics of the parent chemical, 2) the target tissue concentrations of the parent chemical or its bioactivated proximate toxicant, 3) the uptake kinetics of the parent chemical or metabolite into the target cell(s) and/or membrane interactions, and 4) the interaction of the chemical or metabolite with presumed receptor site(s). Because these theoretical factors each contain a saturable step due to definitive amounts of required enzyme, reuptake or receptor site(s), a nonlinear, saturable dose-response curve would be predicted. In order to exemplify this process, effects of the neurotoxicant, methlenedioxymethamphetamine (MDMA), were reviewed and analyzed. Our results and those of others indicate that: 1) peak concentrations of MDMA and metabolites are ochieved in rat brain by 30 min and are negligible by 24 hr, 2) a metabolite of MDMA is probably responsible for its neurotoxic effects, and 3) pretreatment with monoamine uptake blockers prevents MDMA neurotoxicity. When data generated from rats administerde MDMA were plotted as bilolgical effect (decreases in hippocampal serotonin concentrations) versus dose, a saturation curve best described the observed relationship. These results support the hypothesis that at least one saturable step is involved in MDMA neurotoxicity. We conclude that the mathematical relationship between biological effect and dose of MDMA, the first step of our quantitative neurotoxicity risk assessment procedure, should reflect this biological model information generated from the whole of the dose-response curve.

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Flux Optimization Using Genetic Algorithms in Membrane Bioreactor

  • Kim Jung-Mo;Park Chul-Hwan;Kim Seung-Wook;Kim Sang-Yong
    • Journal of Microbiology and Biotechnology
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    • v.16 no.6
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    • pp.863-869
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    • 2006
  • The behavior of submerged membrane bioreactor (SMBR) filtration systems utilizing rapid air backpulsing as a cleaning technique to remove reversible foulants was investigated using a genetic algorithm (GA). A customized genetic algorithm with suitable genetic operators was used to generate optimal time profiles. From experiments utilizing short and long periods of forward and reverse filtration, various experimental process parameters were determined. The GA indicated that the optimal values for the net flux fell between 263-270 LMH when the forward filtration time ($t_f$) was 30-37 s and the backward filtration time ($t_b$) was 0.19-0.27 s. The experimental data confirmed the optimal backpulse duration and frequency that maximized the net flux, which represented a four-fold improvement in 24-h backpulsing experiments compared with the absence of backpulsing. Consequently, the identification of a region of feasible parameters and nonlinear flux optimization were both successfully performed by the genetic algorithm, meaning the genetic algorithm-based optimization proved to be useful for solving SMBR flux optimization problems.

Flow Dynamics Near End-To-End Anastomoses - Part I. In Vitro Compliance Measurement -

  • Kim, Y.H
    • Journal of Biomedical Engineering Research
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    • v.13 no.2
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    • pp.165-174
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    • 1992
  • Compliance mismatch across an end-to-end anastomosis was measured In the In vitro experimental setup. A 35mm camera was used and Image process was done in Gould/ DeAnza Image processor. The results showed that compliances of Penrose tubing and synthetic PTFE grafts were In good agreement with the previously reported In vivo data. PTFE grafts exhibited a nonlinear behavior with compliance decreasing with Increasing transmural pressure, whereas the compliance of the Penrose tubing remained relatively constant within the range of the pressures in which data were obtained. The lumen cross sections at the anastomosis were affected by the suture and the mismatch In compliance between the Penrose tubing and vascular grafts. The varla~lons In the lumen dtameter at the anastomosis was more pronounced with increasing transmural pressures. From the present study, it was clearly demonstrated that the compliance of prosthetic grafts Is much lower than that of the arteries. In addition to the hemodynamlc consequences, compliance mismatch across the anastomosis has been known to lead to Increased anastomotlc and suture stresses with resultant suture line dehlscence and false aneurysm formation. Thus, there are good hemodynamic reasons to suppose that Introduction of a less compliant arterial graft Into the arterial circulation wlll be damaging and that grafts should be made to match the elastic behavior of their host arteries as closely possible.

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An Analytical Solution of the Vertically One-dimensional Convection-Diffusion Equation for the Determination of Local Suspended Sediment Concentration (국지 부유퇴적물 농도의 결정을 위한 연직1차원 이류확산 방정식의 해석해)

  • Jung, Kyung-Tae;Jin, Jae-Youll;Kang, Hyoun-Woo;Cho, Hong-Yeon;Kim, Mee-Kyung;John Noye
    • Proceedings of the Korean Society of Coastal and Ocean Engineers Conference
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    • 2003.08a
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    • pp.208-215
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    • 2003
  • Convective-diffusion equations appear in various disciplines such as hydrology, chemical engineering and oceanography dealing with the transport problem of scalar quantities. Since it is nonlinear, numerical methods are generally used to obtain its solution. Very limited number of analytical solutions are available usually in cases when the convective velocity is constant or has a simple functional form (for some collection of the solutions, see Noye, 1987). There is however a continuing need to develop analytical solutions because of its practical importance. Analytical solutions of the convection-diffusion equation are valuable not only for the better understanding on the transport process but the verification of numerical schemes. (omitted)

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Support vector machine for prediction of the compressive strength of no-slump concrete

  • Sobhani, J.;Khanzadi, M.;Movahedian, A.H.
    • Computers and Concrete
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    • v.11 no.4
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    • pp.337-350
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    • 2013
  • The sensitivity of compressive strength of no-slump concrete to its ingredient materials and proportions, necessitate the use of robust models to guarantee both estimation and generalization features. It was known that the problem of compressive strength prediction owes high degree of complexity and uncertainty due to the variable nature of materials, workmanship quality, etc. Moreover, using the chemical and mineral additives, superimposes the problem's complexity. Traditionally this property of concrete is predicted by conventional linear or nonlinear regression models. In general, these models comprise lower accuracy and in most cases they fail to meet the extrapolation accuracy and generalization requirements. Recently, artificial intelligence-based robust systems have been successfully implemented in this area. In this regard, this paper aims to investigate the use of optimized support vector machine (SVM) to predict the compressive strength of no-slump concrete and compare with optimized neural network (ANN). The results showed that after optimization process, both models are applicable for prediction purposes with similar high-qualities of estimation and generalization norms; however, it was indicated that optimization and modeling with SVM is very rapid than ANN models.

Kinetic Studies of Alkaline Protease from Bacillus licheniformis NCIM-2042

  • Bhunia, Biswanath;Basak, Bikram;Bhattacharya, Pinaki;Dey, Apurba
    • Journal of Microbiology and Biotechnology
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    • v.22 no.12
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    • pp.1758-1766
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    • 2012
  • An extensive investigation was carried out to describe the kinetics of cell growth, substrate consumption, and product formation in the batch fermentation using starch as substrate. Evaluation of intrinsic kinetic parameters was carried out using a best-fit unstructured model. A nonlinear regression technique was applied for computational purpose. The Andrew's model showed a comparatively better $R^2$ value among all tested models. The values of specific growth rate (${\mu}_{max}$), saturation constant ($K_S$), inhibition constant ($K_I$), and $Y_{X/S}$ were found to be 0.109 $h^{-1}$, 11.1 g/l, 0.012 g/l, and 1.003, respectively. The Leudeking-Piret model was used to study the product formation kinetics and the process was found to be growth-associated. The growth-associated constant (${\alpha}$) for protease production was sensitive to substrate concentration. Its value was fairly constant up to a substrate concentration of 30.8 g/l, and then decreased.

Kinetic Study on Nucleophilic Substitution Reactions of 4-Chloro-2-nitrophenyl X-Substituted-benzoates with Cyclic Secondary Amines: Effect of Substituent X on Reactivity and Reaction Mechanism

  • Jeon, Seong Hoon;Kim, Hyun Soo;Han, Young Joon;Kim, Min-Young;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.2983-2988
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    • 2013
  • Second-order rate constants ($k_N$) have been measured spectrophotometrically for the reactions of 4-chloro-2-nitrophenyl X-substituted-benzoates (1a-1h) with a series of cyclic secondary amines in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The Hammett plot for the reactions of 1a-1h with piperidine consists of two intersecting straight lines, while the Yukawa-Tsuno plot exhibits an excellent linear correlation with ${\rho}_X $ = 1.25 and r = 0.58, indicating that the nonlinear Hammett plot is not due to a change in the rate-determining step (RDS) but is caused by ground-state stabilization through resonance interactions for substrates possessing an electron-withdrawing group in the benzoyl moiety. The Br${\o}$nsted-type plot for the reactions of 4-chloro-2-nitrophenyl benzoate (1d) with a series of cyclic secondary amines curves downward with ${\beta}_2$ = 0.85, ${\beta}_1$ = 0.24, and $pK_a{^o}$ = 10.5, implying that a change in RDS occurs from the $k_2$ step to the $k_1$ process as the $pK_a$ of the conjugate acid of the amine exceeds 10.5. Dissection of $k_N$ into the microscopic rate constants $k_1$ and $k_2/k_{-1}$ ratio associated with the reaction of 1d reveals that $k_2$ is dependent on the amine basicity, which is contrary to generally held views.

Modeling reaction injection molding process of phenol-formaldehyde resin filled with wood dust

  • Lee, Jae-Wook;Kwon, Young-Don;Leonov, A.I.
    • Korea-Australia Rheology Journal
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    • v.20 no.2
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    • pp.59-63
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    • 2008
  • A theoretical model was developed to describe the flow behavior of a filled polymer in the packing stage of reaction injection molding and predict the residual stress distribution of thin injection-molded parts. The model predictions were compared with experiments performed for phenol-formaldehyde resin filled with wood dust and cured by urotropine. The packing stage of reaction injection molding process presents a typical example of complex non-isothermal flow combined with chemical reaction. It is shown that the time evolution of pressure distribution along the mold cavity that determines the residual stress in the final product can be described by a single 1D partial differential equation (PDE) if the rheological behavior of reacting liquid is simplistically described by the power-law approach with some approximations made for describing cure reaction and non-isothermality. In the formulation, the dimensionless time variable is defined in such a way that it includes all necessary information on the cure reaction history. Employing the routine separation of variables made possible to obtain the analytical solution for the nonlinear PDE under specific initial condition. It is shown that direct numerical solution of the PDE exactly coincides with the analytical solution. With the use of the power-law approximation that describes highly shear thinning behavior, the theoretical calculations significantly deviate from the experimental data. Bearing in mind that in the packing stage the flow is extremely slow, we employed in our theory the Newtonian law for flow of reacting liquid and described well enough the experimental data on evolution of pressure.

Optimal DO Setpoint Decision and Electric Cost Saving in Aerobic Reactor Using Respirometer and Air Blower Control (호흡률 및 송풍기 제어 기반 포기조 최적 DO 농도 설정과 전력 비용 절감 연구)

  • Lee, Kwang Su;Kim, Minhan;Kim, Jongrack;Yoo, Changkyoo
    • Korean Chemical Engineering Research
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    • v.52 no.5
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    • pp.581-586
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    • 2014
  • Main objects for wastewater treatment operation are to maintain effluent water quality and minimize operation cost. However, the optimal operation is difficult because of the change of influent flow rate and concentrations, the nonlinear dynamics of microbiology growth rate and other environmental factors. Therefore, many wastewater treatment plants are operated for much more redundant oxygen or chemical dosing than the necessary. In this study, the optimal control scheme for dissolved oxygen (DO) is suggested to prevent over-aeration and the reduction of the electric cost in plant operation while maintaining the dissolved oxygen (DO) concentration for the metabolism of microorganisms in oxic reactor. The oxygen uptake rate (OUR) is real-time measured for the identification of influent characterization and the identification of microorganisms' oxygen requirement in oxic reactor. Optimal DO set-point needed for the micro-organism is suggested based on real-time measurement of oxygen uptake of micro-organism and the control of air blower. Therefore, both stable effluent quality and minimization of electric cost are satisfied with a suggested optimal set-point decision system by providing the necessary oxygen supply requirement to the micro-organisms coping with the variations of influent loading.

3-Dimensional Finite Element Analysis of Thermoforming Processes (열성형공정의 3차원 유한요소해석)

  • G.J. Nam;D.S. Son;Lee, J.W.
    • The Korean Journal of Rheology
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    • v.11 no.1
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    • pp.18-27
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    • 1999
  • Predicting the deformation behaviors of sheets in thermoforming processes has been a daunting challenge due to the strong nonlinearities arising from very large deformations, mold-polymer contact condition and hyperelasticity constitutive equations. Nonlinear numerical analysis is always required to face this challenge especially for realistic processing conditions. In this study a 3-D algorithm and the membrane approximation are developed for thermoforming processes. The constitutive equation is expressed in terms of the 2nd Piola-Kirchhoff stress tensor and the Cauchy-Green deformation tensor. The 2-term Mooney-Rivlin model is used for the material model equation. The algorithm is established by the finite element formulation employing the total Lagrangian coordinate. The deformation behavior and the stress distribution results of 3-D algorithm with various point boundary conditions are compared to those of the membrane approximation algorithm. Also, the slip boundary condition and the no-slip boundary condition are applied for the systems that have molds. Finally, the effect of sheet temperatures on the final thickness distribution is investigated for the ABS material.

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