Vector Field Analysis and Synthesis Using Three-Dimensional Phase Portraits

1997 ◽  
Vol 59 (6) ◽  
pp. 446-462 ◽  
Author(s):  
Paul A. Philippou ◽  
Robin N. Strickland
Keyword(s):  
Vector Field ◽  
Three Dimensional ◽  
Field Analysis ◽  
Phase Portraits ◽  
Analysis And Synthesis

3D-QSAR Studies of S-DABO Derivatives as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors

2019 ◽  
Vol 16 (8) ◽  
pp. 868-881
Author(s):  
Yueping Wang ◽  
Jie Chang ◽  
Jiangyuan Wang ◽  
Peng Zhong ◽  
Yufang Zhang ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Three Dimensional ◽  
Predictive Ability ◽  
3D Qsar ◽  
Binding Mode ◽  
Quantitative Structure Activity Relationship ◽  
Field Analysis ◽  
Reverse Transcriptase Inhibitors ◽  
Qsar Studies ◽  
Hiv 1

Background: S-dihydro-alkyloxy-benzyl-oxopyrimidines (S-DABOs) as non-nucleoside reverse transcriptase inhibitors have received considerable attention during the last decade due to their high potency against HIV-1. Methods: In this study, three-dimensional quantitative structure-activity relationship (3D-QSAR) of a series of 38 S-DABO analogues developed in our lab was studied using Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). The Docking/MMFF94s computational protocol based on the co-crystallized complex (PDB ID: 1RT2) was used to determine the most probable binding mode and to obtain reliable conformations for molecular alignment. Statistically significant CoMFA (q2=0.766 and r2=0.949) and CoMSIA (q2=0.827 and r2=0.974) models were generated using the training set of 30 compounds on the basis of hybrid docking-based and ligand-based alignment. Results: The predictive ability of CoMFA and CoMSIA models was further validated using a test set of eight compounds with predictive r2 pred values of 0.843 and 0.723, respectively. Conclusion: The information obtained from the 3D contour maps can be used in designing new SDABO derivatives with improved HIV-1 inhibitory activity.

Nonlinear Dynamics and Application of the Four Dimensional Autonomous Hyper-Chaotic System

2014 ◽  
Author(s):  
Ge Kai ◽  
Wei Zhang
Keyword(s):  
Nonlinear Dynamics ◽  
Numerical Simulation ◽  
Differential Equations ◽  
Chaotic System ◽  
Dynamical Behavior ◽  
Three Dimensional ◽  
Phase Portraits ◽  
State Variables ◽  
Chaotic Motions ◽  
Finance System

In this paper, we establish a dynamic model of the hyper-chaotic finance system which is composed of four sub-blocks: production, money, stock and labor force. We use four first-order differential equations to describe the time variations of four state variables which are the interest rate, the investment demand, the price exponent and the average profit margin. The hyper-chaotic finance system has simplified the system of four dimensional autonomous differential equations. According to four dimensional differential equations, numerical simulations are carried out to find the nonlinear dynamics characteristic of the system. From numerical simulation, we obtain the three dimensional phase portraits that show the nonlinear response of the hyper-chaotic finance system. From the results of numerical simulation, it is found that there exist periodic motions and chaotic motions under specific conditions. In addition, it is observed that the parameter of the saving has significant influence on the nonlinear dynamical behavior of the four dimensional autonomous hyper-chaotic system.

Aerothermal Investigation of a Rib-Roughened Trailing Edge Channel With Crossing-Jets—Part I: Flow Field Analysis

2009 ◽  
Vol 132 (1) ◽  
Author(s):  
Alessandro Armellini ◽  
Filippo Coletti ◽  
Tony Arts ◽  
Christophe Scholtes
Keyword(s):  
Flow Field ◽  
Three Dimensional ◽  
Side Wall ◽  
Field Analysis ◽  
Navier Stokes ◽  
Trailing Edge ◽  
Present Contribution ◽  
Cross Sectional ◽  
Numerical Predictions ◽  
Rib Roughened

The present contribution addresses the aerothermal, experimental, and computational studies of a trapezoidal cross-sectional model simulating a trailing edge cooling cavity with one rib-roughened wall. The flow is fed through tilted slots on one side wall and exits through straight slots on the opposite side wall. The flow field aerodynamics is investigated in Part I of the paper. The reference Reynolds number is defined at the entrance of the test section and set at 67,500 for all the experiments. A qualitative flow model is deduced from surface-streamline flow visualizations. Two-dimensional particle image velocimetry measurements are performed in several planes around midspan of the channel and recombined to visualize and quantify three-dimensional flow features. The crossing-jets issued from the tilted slots are characterized and the jet-rib interaction is analyzed. Attention is drawn to the motion of the flow deflected by the rib-roughened wall and impinging on the opposite smooth wall. The experimental results are compared with the numerical predictions obtained from the finite volume Reynolds-averaged Navier–Stokes solver, CEDRE.

Aero-Thermal Investigation of a Rib-Roughened Trailing Edge Channel With Crossing-Jets: Part I—Flow Field Analysis

2008 ◽  
Author(s):  
Alessandro Armellini ◽  
Filippo Coletti ◽  
Tony Arts ◽  
Christophe Scholtes
Keyword(s):  
Flow Field ◽  
Computational Study ◽  
Three Dimensional ◽  
Side Wall ◽  
Field Analysis ◽  
Trailing Edge ◽  
Present Contribution ◽  
Numerical Predictions ◽  
Flow Features ◽  
Rib Roughened

The present contribution addresses the aero-thermal experimental and computational study of a trapezoidal cross-section model simulating a trailing edge cooling cavity with one rib-roughened wall. The flow is fed through tilted slots on one side wall and exits through straight slots on the opposite side wall. The flow field aerodynamics is investigated in part I of the paper. The reference Reynolds number is defined at the entrance of the test section and set at 67500 for all the experiments. A qualitative flow model is deduced from surface-streamline flow visualizations. Two-dimensional Particle Image Velocimetry measurements are performed in several planes around mid-span of the channel and recombined to visualize and quantify three-dimensional flow features. The jets issued from the tilted slots are characterized and the jet-rib interaction is analyzed. Attention is drawn to the motion of the flow deflected by the rib-roughened wall and impinging on the opposite smooth wall. The experimental results are compared with the numerical predictions obtained from the finite volume, RANS solver CEDRE.

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