scholarly journals Exploring Plant Sesquiterpene Diversity by Generating Chemical Networks

2019 ◽  
Author(s):  
Waldeyr Silva ◽  
Jakob Andersen ◽  
Maristela Holanda ◽  
Maria Emília Walter ◽  
Marcelo Brigido ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Metabolic Pathways ◽  
Software Package ◽  
Farnesyl Diphosphate ◽  
Graph Database ◽  
Simulation Results ◽  
Biological Evidence

Plants produce a diverse portfolio of sesquiterpenes that are important in their response to herbivores and the interaction with other plants. Their biosynthesis from farnesyl diphosphate depends on the sesquiterpene synthases. Here, we investigate to what extent metabolic pathways can be reconstructed just from knowledge of the final product and the reaction mechanisms catalyzed by sesquiterpene synthases. We use the software package MedØlDatschgerl (MØD) to generate chemical networks and elucidate pathways contained in them. As examples, we successfully consider the reachability of the important plant sesquiterpenes β-caryophyllene, α-humulene, and β-farnesene. We also introduce a graph database to integrate simulation results with experimental biological evidence for selected predicted sesquiterpenes biosynthesis.

scholarly journals Exploring Plant Sesquiterpene Diversity by Generating Chemical Networks

Processes ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 240 ◽  
Author(s):  
Waldeyr M. C. da Silva ◽  
Jakob L. Andersen ◽  
Maristela T. Holanda ◽  
Maria Emília M. T. Walter ◽  
Marcelo M. Brigido ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Metabolic Pathways ◽  
Software Package ◽  
Farnesyl Diphosphate ◽  
Graph Database ◽  
Simulation Results ◽  
Biological Evidence

Plants produce a diverse portfolio of sesquiterpenes that are important in their response to herbivores and the interaction with other plants. Their biosynthesis from farnesyl diphosphate depends on the sesquiterpene synthases that admit different cyclizations and rearrangements to yield a blend of sesquiterpenes. Here, we investigate to what extent sesquiterpene biosynthesis metabolic pathways can be reconstructed just from the knowledge of the final product and the reaction mechanisms catalyzed by sesquiterpene synthases. We use the software package MedØlDatschgerl (MØD) to generate chemical networks and to elucidate pathways contained in them. As examples, we successfully consider the reachability of the important plant sesquiterpenes β -caryophyllene, α -humulene, and β -farnesene. We also introduce a graph database to integrate the simulation results with experimental biological evidence for the selected predicted sesquiterpenes biosynthesis.

scholarly journals STRESSING ISSUE OF A PIEZOCERAMIC CANTILEVER WITH LONGITUDINAL POLARISATION AND ELECTRODE COATINGS

2020 ◽  
Vol 19 (2) ◽  
pp. 113
Author(s):  
Igor Jovanović ◽  
Ljubiša Perić ◽  
Uglješa Jovanović ◽  
Dragan Mančić
Keyword(s):  
General Solution ◽  
Free Vibration ◽  
Electric Potential ◽  
Software Package ◽  
Longitudinal Polarization ◽  
Main Subject ◽  
Piezoceramic Material ◽  
Coupled Equations ◽  
Specific Strain ◽  
Simulation Results

The main subject of this study is the investigation of the free vibration of a rectangular prismatic piezoceramic cantilever with longitudinal polarization and electrode coatings. Based on the general solution of coupled equations for piezoceramic material, applying the equations of electro-elasticity and satisfying electrical and mechanical conditions for the stress of a cantilever made from PZT4 piezoceramic material, componential displacements, electric potential, specific strain, electric field, and piezoelectric displacement, are determined and numerically obtained with Matlab software package. Based on the obtained equations and simulation results, it is possible to optimize the dimensions of the cantilever and determine the type of piezoceramic.

Benchmark Investigation of Dynamics Models for Design Optimization of Articulated Heavy Vehicles

2013 ◽  
Author(s):  
Md Manjurul Islam ◽  
Yuping He
Keyword(s):  
Design Optimization ◽  
Software Package ◽  
Eigenvalue Analysis ◽  
Heavy Vehicle ◽  
Tire Model ◽  
Heavy Vehicles ◽  
Plane Model ◽  
Motion Modes ◽  
Simulation Results ◽  
Dynamics Models

This paper represents validation of yaw plane and yaw-roll models of a tractor/semitrailer combination with TruckSim software package. A linear 3 degree-of-freedom (DOF) yaw-plane model and a linear 5 DOF yaw-roll model of tractor/semitrailer have been generated, compared and evaluated. This paper investigates the applicability of vehicle models with linear tire model. The models of the articulated heavy vehicle (AHV) yield excellent simulation results which are validated by comparing the simulation results obtained from TruckSim. This paper also includes eigenvalue analysis of the models to estimate their unstable motion modes. Benchmark comparison of the models has been performed to investigate the fidelity, complexity and applicability.

The Modern Information Technologies and Visualization Methods for Analysis of Computer Simulation Results for Complex Plasma

2014 ◽  
Vol 15 (4) ◽  
pp. 981-995 ◽  
Author(s):  
T. S. Ramazanov ◽  
S. K. Kodanova ◽  
M. K. Issanova ◽  
N. Kh. Bastykova ◽  
Zh. A. Moldabekov
Keyword(s):  
Software Package ◽  
Information Technologies ◽  
Simulation Method ◽  
Rapid Analysis ◽  
Dynamics Simulation ◽  
Complex Plasma ◽  
Simulation Results ◽  
Modern Information ◽  
Complex Plasmas ◽  
Equations Of Motions

AbstractIn this paper we present a software package based on modern information technologies that allows rapid analysis and visualization of the properties of complex plasmas. The properties of plasma are simulated by two means. First of all, we have applied the molecular dynamics simulation method which numerically solves the equations of motions for plasma particles. Secondly, we calculate microscopic properties of plasma by using the Boltzmann equation with additional relations, initial and boundary conditions.

scholarly journals ESTIMATION OF THE WAVE FORMATION FOR EXTRA-CAPACITY CATAMARAN WITH VARIOUS FORMS OF INNER SIDES

2020 ◽  
pp. 109-120
Author(s):  
Egor Yu. Cheban ◽  
Olga V. Martemianova ◽  
Sergey G. Mitroshin ◽  
Natalia E. Zotova ◽  
Alexei V. Logvinov
Keyword(s):  
Numerical Simulation ◽  
Numerical Methods ◽  
Software Package ◽  
Wave Formation ◽  
Total Width ◽  
Ship Wave ◽  
Flat Side ◽  
Wave Heights ◽  
Simulation Results

The research was carried out by numerical methods of wave formation and resistance for an extra-capacity displacement catamaran in the range of Froude numbers from 0.181 to 0.3 and the range of relative clearance from 0.3 to 0.55. Symmetrical hulls and hulls with an inner flat side, developed on the basic lines of M. Ya. Alferiev were used. The ship wave heights generated by the hulls of the catamarans and their resistance were compared with the corresponding simulation results for a large mono-hull vessel with a hull width equal to the total width of the catamaran. Numerical simulation was performed in the FineMarineTM software package. It was found that the resistance and wave heights from a mono-hull vessel and a catamaran with a flat inner side exceed the resistance and wave heights of a catamaran with symmetrical hulls.

An Epidemiological Modeling and Data Integration Framework

2010 ◽  
Vol 49 (03) ◽  
pp. 290-293 ◽  
Author(s):  
F. Hanser ◽  
M. Seger ◽  
M. Netzer ◽  
M. Osl ◽  
R. Modre-Osprian ◽  
...  
Keyword(s):  
Infectious Diseases ◽  
Cellular Automaton ◽  
Data Warehouse ◽  
Software Package ◽  
Prediction Models ◽  
Winter Season ◽  
Modeling Framework ◽  
Federal States ◽  
Contingency Plans ◽  
Simulation Results

Summary Objectives: In this work, a cellular automaton software package for simulating different infectious diseases, storing the simulation results in a data warehouse system and analyzing the obtained results to generate prediction models as well as contingency plans, is proposed. The Brisbane H3N2 flu virus, which has been spreading during the winter season 2009, was used for simulation in the federal state of Tyrol, Austria. Methods: The simulation-modeling framework consists of an underlying cellular automaton. The cellular automaton model is parameterized by known disease parameters and geographical as well as demographical conditions are included for simulating the spreading. The data generated by simulation are stored in the back room of the data warehouse using the Talend Open Studio software package, and subsequent statistical and data mining tasks are performed using the tool, termed Knowledge Discovery in Database Designer (KD3). Results: The obtained simulation results were used for generating prediction models for all nine federal states of Austria. Conclusion: The proposed framework provides a powerful and easy to handle interface for parameterizing and simulating different infectious diseases in order to generate prediction models and improve contingency plans for future events.

Mathematical Model of Cable Winding/Unwinding System

2017 ◽  
Vol 35 (1) ◽  
pp. 131-143 ◽  
Author(s):  
Lj. B. Kevac ◽  
M. M. Filipovic
Keyword(s):  
Mathematical Model ◽  
Dynamic Response ◽  
Experimental Analysis ◽  
Software Package ◽  
Mathematical Formulation ◽  
Theoretical Contribution ◽  
Cable Length ◽  
Simulation Results ◽  
Dynamic Variables

AbstractThe general form of mathematical model of cable winding/unwinding system is defined for several different constructions. The novelty of this mathematical model is detection and mathematical formulation of influence of new dynamic variables: winding/unwinding radius and cable length on dynamic response of cable winding/unwinding system. The validity of the obtained theoretical contribution has been illustrated through one case study by using a newly developed software package CWUSOFT which was generated in MATLAB. Theoretical and simulation results are confirmed through the experimental analysis of one novel construction of the cable winding/unwinding system.

Design of an Electroosmotic Micromixer Using CFD

2007 ◽  
Author(s):  
Xiaozhang Wang ◽  
Zhuangde Jiang ◽  
Chaohui Wang
Keyword(s):  
Software Package ◽  
Mixing Process ◽  
Rectangular Microchannel ◽  
Corner Effect ◽  
Single Plane ◽  
Ζ Potential ◽  
Recirculation Flow ◽  
Entry Length ◽  
Double Plane ◽  
Simulation Results

A numerical computational model of electroosmotic micromixer is developed using a CFD software package, and numerical simulations are executed to verify its accuracy. This rectangular microchannel mixer utilizes heterogeneous surface potential to form recirculation flow and enhance mixing in channel. The basic ζ potential of channel walls is −25mV, and the modulated potentials are +200mV and −200mV, respectively. Several ζ potential modulation modes are studied to optimize the ζ potential modulation, which pattern different modulated ζ potential regions on the top and bottom channel surfaces to produce in-plane vortex. Single-plane (top or bottom) and double-plane (top and bottom) drive vortex are investigated to show their characteristics and influences upon the mixing process. According to the simulation results, a reference entry length indicates that the ratio of entry length to channel width must be greater than one to eliminate the corner effect completely. Mixing process of two kind of modulation arrangements are also compared with the aim of a more effective mixing. In the end an electroosmotic mixer is designed and simulated numerically, which works under a 50000V/m electric field and can get a flowrate about 0.5nL/m with mix length less than one centimeter.

scholarly journals Numerical simulation of aerodynamic properties of separable elements of space-rocket systems in the LOGOS software package

2021 ◽  
Vol 2099 (1) ◽  
pp. 012072
Author(s):  
S V Aksenov ◽  
D A Korchazhkin ◽  
A Yu Puzan ◽  
O A Puzan
Keyword(s):  
Numerical Simulation ◽  
Computer Simulation ◽  
Software Package ◽  
Reference Data ◽  
Verification And Validation ◽  
Aerodynamic Properties ◽  
Space Rocket ◽  
Simulation Results

Abstract The work describes simulation results of the aerodynamic properties of split elements of the space-rocket systems in the LOGOS software package: the review of the advanced methods for aerodynamic properties has been carried out, the advantages of the computer simulation when solving such problems were demonstrated, verification and validation computations of the simulation problems for the split elements were performed, the produced results were compared with the reference data from available publications. The analysis of the results confirmed the applicability of the LOGOS software package for computing aerodynamic properties of the split elements.

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