• Title/Summary/Keyword: interaction parameter

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Prediction of pharmacokinetics and drug-drug interaction potential using physiologically based pharmacokinetic (PBPK) modeling approach: A case study of caffeine and ciprofloxacin

  • Park, Min-Ho;Shin, Seok-Ho;Byeon, Jin-Ju;Lee, Gwan-Ho;Yu, Byung-Yong;Shin, Young G.
    • The Korean Journal of Physiology and Pharmacology
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    • v.21 no.1
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    • pp.107-115
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    • 2017
  • Over the last decade, physiologically based pharmacokinetics (PBPK) application has been extended significantly not only to predicting preclinical/human PK but also to evaluating the drug-drug interaction (DDI) liability at the drug discovery or development stage. Herein, we describe a case study to illustrate the use of PBPK approach in predicting human PK as well as DDI using in silico, in vivo and in vitro derived parameters. This case was composed of five steps such as: simulation, verification, understanding of parameter sensitivity, optimization of the parameter and final evaluation. Caffeine and ciprofloxacin were used as tool compounds to demonstrate the "fit for purpose" application of PBPK modeling and simulation for this study. Compared to caffeine, the PBPK modeling for ciprofloxacin was challenging due to several factors including solubility, permeability, clearance and tissue distribution etc. Therefore, intensive parameter sensitivity analysis (PSA) was conducted to optimize the PBPK model for ciprofloxacin. Overall, the increase in $C_{max}$ of caffeine by ciprofloxacin was not significant. However, the increase in AUC was observed and was proportional to the administered dose of ciprofloxacin. The predicted DDI and PK results were comparable to observed clinical data published in the literatures. This approach would be helpful in identifying potential key factors that could lead to significant impact on PBPK modeling and simulation for challenging compounds.

Analysis of circular plates on two - parameter elastic foundation

  • Saygun, Ahmet;Celik, Mecit
    • Structural Engineering and Mechanics
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    • v.15 no.2
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    • pp.249-267
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    • 2003
  • In this study, circular plates subjected to general type of loads and supported on a two-parameter elastic foundation are analysed. The stiffness, elastic bedding and soil shear effect matrices of a fully compatible ring sector plate element, developed by Saygun (1974), are obtained numerically assuming variable thickness of the element. Ring sector soil finite element is also defined to determine the deflection of the soil surface outside the domain of the plate in order to establish the interaction between the plate and the soil. According to Vallabhan and Das (1991) the elastic bedding (C) and shear parameters ($C_T$) of the foundation are expressed depending on the elastic constants ($E_s$, $V_s$) and the thickness of compressible soil layer ($H_s$) and they are calculated with a suitable iterative procedure. Using ring sector elements presented in this paper, permits the generalization of the loading and the boundary conditions of the soil outside the plate.

Interaction of casson nanofluid with Brownian motion: Temperature profile with shooting method

  • Iqbal, Waheed;Jalil, Mudassar;Khadimallah, Mohamed A.;Hussain, Muzamal;Naeem, Muhammad N.;Al Naim, Abdullah F.;Tounsi, Abdelouahed
    • Advances in nano research
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    • v.10 no.4
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    • pp.349-357
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    • 2021
  • In present study, the numerical investigations are carried out for effects of suction and blowing on boundary layer slip flow of casson nano fluid along permeable stretching cylinder in an exponential manner. The modeled PDEs are changed into nonlinear ODEs through appropriate nonlinear transformations. Change in physical quantities like friction coefficient, Nusselt and Sherwood numbers with variation of the aforementioned parameters are also examined and their numerical values are listed in the form of tables. Effects of Reynold number, suction parameter, Prandtl number, Lewis number, Brownian motion parameter and thermophoresis parameter are seen graphically with temperature profile.

Interaction between Metalloporphyrins and Diazine Tautomers

  • Xu, Huiying;Wang, Wei;Zhu, Jianqing;Xu, Xiaolu;Zhang, Deyong
    • Bulletin of the Korean Chemical Society
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    • v.34 no.12
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    • pp.3727-3732
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    • 2013
  • The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

Genetic Analysis of Major Characteristics in Flue-cured Tobacco (황색종 담배의 주요형질에 대한 유전분석)

  • 신승구;홍병희
    • Journal of the Korean Society of Tobacco Science
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    • v.13 no.2
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    • pp.59-65
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    • 1991
  • There was no a difference of genetic analysis among methods(means, joint scaling test, 3 Parameter model) . The magnitude of additive effects generally paralleled the magnitude of difference between parental means and appeared to be more independent from non-allelic interaction than did dominance effects, whereas the magnitude of dominance effects were inflated by non-allelic interaction. Additive effects were significant for all characteristics observed and it was a major effects in inheritance of number of leaves. Dominance effects were higher than additive effects for plant height, days to flower, flesh leaf weight per plant, curing rate, total alkaloid and total nitrogen.

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Seismic Response Analysis of a Large Scale Soil-Structure Interaction Test Structure on Flexible Site (유연지반상 대형내진시험구조물의 지진응답해석)

  • 조양희
    • Proceedings of the Earthquake Engineering Society of Korea Conference
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    • 1997.04a
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    • pp.257-264
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    • 1997
  • Seismic responses of the Hualien large scale seismic test model on a layered soil site are estimated for two recorded earthquakes and the analysis results are then compared and evaluated with the recorded responses. The method adopted for the analysis is based on substructuring method using a lumped parameter model in both the frequency and time domain. the study results indicate that the proposed method can reasonably estimate the earthquake responses of a soil-structure interaction system for engineering purposes.

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Finite strain nonlinear longitudinal vibration of nanorods

  • Eren, Mehmet;Aydogdu, Metin
    • Advances in nano research
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    • v.6 no.4
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    • pp.323-337
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    • 2018
  • The nonlinear free vibration of a nanorod subjected to finite strain is investigated. The governing equation of motion in material configuration in terms of displacement is determined. By means of Galerkin method, the Fourier series solutions satisfying some typical boundary conditions are determined. The amplitude-frequency relationship and interaction between the modes are studied. The effects of nonlocal elasticity are shown for different length of nanotubes and nonlocal parameter. The results show that nonlocal effects lead to additional internal modal interaction for nanorod vibrations.

The Vortical Flow Field of Delta Wing with Leading Edge Extension

  • Lee, Ki-Young;Sohn, Myong-Hwan
    • Journal of Mechanical Science and Technology
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    • v.17 no.6
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    • pp.914-924
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    • 2003
  • The interaction and breakdown of vortices over the Leading Edge Extension (LEX) - Delta wing configuration has been investigated through wing-surface pressure measurements, the off-surface flow visualization, and 5-hole probe measurements of the wing wake section. The description focused on analyzing the interaction and the breakdown of vortices depending on the angle of attack and the sideslip angle. The Effect of angle of attack and sideslip angle on the aerodynamic load characteristics of the model is also presented. The sideslip angle was found to be a very influential parameter of the vortex flow over the LEX-delta wing configuration. The introduction of LEX vortex stabilized the vortex flow, and delayed the vortex breakdown up to a higher angle of attack. The vortex interaction and breakdown was promoted on the windward side, whereas it was suppressed on the leeward side.

An Theoretical Analysis of Electro-osmotic Flow in 2-dimensional slit with Electrical Double Layers in Interaction (전기 이중층의 상호작용을 고려한 2차원 슬릿 내의 전기삼투 유동에 관한 이론적 해석)

  • Lee, Dae-Keun
    • 유체기계공업학회:학술대회논문집
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    • 2006.08a
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    • pp.497-500
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    • 2006
  • An theoretical analysis on the electro-osmotic flow in a 2-dimensional slit, that is induced by an external electric field acting on the electrical double layers near the slit wall, was performed. Especially, although there were many studies on the interacting electrical double layers, it was found in this study that they have several physical or mathematical fallacies. To resolve these, the general solution on the charge-regulating slit with the height as a parameter was obtained. The results of this work can provide the electrokinetic solution of nanoscale slit with the electrical double layer interaction as well as that of microscale slit without the interaction and can be used as the benchmark of a numerical analysis and the reference of electrokinetic flow path design.

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The Ultimate Pattern of Shock-Vortex Interaction

  • Chang, Keun-Shik;Barik, Hrushikesh;Chang, Se-Myong
    • 한국전산유체공학회:학술대회논문집
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    • 2008.03a
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    • pp.337-339
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    • 2008
  • As a shock impinges into a vortex of variable strength, complex shock diffraction can occur. Since a vortex has a fixed rotating direction, the shock wave travelling in one direction creates strong asymmetry in the vortex flow field. The process is that first the shock is divided into two parts by the vortex. One part is moving in the adverse direction opposite to the vortex flow which is captured by the vortex center. The other part is moving in the favorable direction, namely, in the direction same as the vortex flow; it is swung around the vortex, accelerating the vortex flow. In this paper we have investigated numerically using ENO scheme how and why the shock-vortex interaction patterns appear so different for different parametric values. Conclusion is that there are three different types of shock-vortex interaction depending on two related parameters: shock Mach number and vortex Mach number. We present a parameter map by which we can discern what type of interaction pattern appears as a shock impinges into a vortex.

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