Search results for " Simulation"

Modelling of rotations by using matrix solutions of nonlinear wave equations

2007

A family of matrix solutions of nonlinear wave equations is extended and its application to modelling is given. It is shown that a similarity transformation, induced by the matrix solution, is equivalent to the rotation. Matrix solutions are used for modelling helical motions and vortex rings, simultaneous rotations and particles collision, mapping contraction and pulsating spheres. Geometrical interpretation of the doubling of rotation angle in each step of sequential mapping contraction is given. First Published Online: 14 Oct 2010

A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries

2021

Author(s): Gulizzi, Vincenzo; Almgren, Ann S; Bell, John B | Abstract: We present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an $hp$ adaptive mesh refinement ($hp$-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The $hp$-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a…

Numerical simulation of bed topography in large meadering channels

2002

Synthesis and biological evaluation of sphingosine kinase 2 inhibitors with anti-inflammatory activity.

2019

The synthesis of inhibitors of SphK2 with novel structural scaffolds is reported. These compounds were designed from a molecular modeling study, in which the molecular interactions stabilizing the different complexes were taken into account. Particularly interesting is that 7‐bromo‐2‐(2‐phenylethyl)‐2,3,4,5‐tetrahydro‐1,4‐epoxynaphtho[1,2‐b]azepine, which is a selective inhibitor of SphK2, does not exert any cytotoxic effects and has a potent anti‐inflammatory effect. It was found to inhibit mononuclear cell adhesion to the dysfunctional endothelium with minimal impact on neutrophil–endothelial cell interactions. The information obtained from our theoretical and experimental study can be us…

Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening.

2000

ABSTRACT We conducted a quantitative structure-activity relationship study using a database of 158 quinolones previously tested against Mycobacterium avium-M. intracellulare complex in order to develop a model capable of predicting the activity of new quinolones against the M. avium-M. intracellulare complex in vitro. Topological indices were used as structural descriptors and were related to anti- M. avium-M. intracellulare complex activity by using the linear discriminant analysis (LDA) statistical technique. The discriminant equation thus obtained correctly classified 137 of the 158 quinolones, including 37 of a test group of 44 randomly chosen compounds. This model was then applied to 2…

Anti- Toxoplasma Activities of 24 Quinolones and Fluoroquinolones In Vitro: Prediction of Activity by Molecular Topology and Virtual Computational Te…

2000

ABSTRACT The apicoplast, a plastid-like organelle of Toxoplasma gondii , is thought to be a unique drug target for quinolones. In this study, we assessed the in vitro activity of quinolones against T. gondii and developed new quantitative structure-activity relationship models able to predict this activity. The anti- Toxoplasma activities of 24 quinolones were examined by means of linear discriminant analysis (LDA) using topological indices as structural descriptors. In parallel, in vitro 50% inhibitory concentrations (IC 50 s) were determined in tissue culture. A multilinear regression (MLR) analysis was then performed to establish a model capable of classifying quinolones by in vitro acti…

Translating cross-lagged effects into incidence rates and risk ratios: The case of psychosocial safety climate and depression

2017

Longitudinal studies are the gold standard of empirical work and stress research whenever experiments are not plausible. Frequently, scales are used to assess risk factors and their consequences, and cross-lagged effects are estimated to determine possible risks. Methods to translate cross-lagged effects into risk ratios to facilitate risk assessment do not yet exist, which creates a divide between psychological and epidemiological work stress research. The aim of the present paper is to demonstrate how cross-lagged effects can be used to assess the risk ratio of different levels of psychosocial safety climate (PSC) in organisations, an important psychosocial risk for the development of dep…

Advantages of surgical simulation in the surgical reconstruction of oncological patients

2018

Background Stereolithography, which consists of computer-aided designed/computer-aided manufactured (CAD-CAM) and computer simulations, is a manufacturing technologies used for the production of definitive models and prototypes printed in three dimensions, and is widely used in Oral and Maxillofacial Surgery. Surgical procedures using models made by these technologies offer several advantages. Material and Methods This article describes three clinical cases of our experiences with patients diagnosed with squamous cell carcinoma and mandibular osteosarcoma, who underwent surgical removal of the lesions and subsequent mandibular reconstruction with a free fibula graft using surgical guides. R…

Motor asymmetry attenuation in older adults during imagined arm movements

2014

International audience; Laterality is an important feature of motor behavior. Several studies have shown that lateralization in right-handed young adults (i.e., right versus left arm superiority) emerges also during imagined actions, that is when an action is internally simulated without any motor output. Such information, however, is lacking for elderly people and it could be valuable to further comprehend the evolution of mental states of action in normal aging. Here, we evaluated the influence of age on motor laterality during mental actions. Twenty-four young (mean age: 24.7 +/- 4.4 years) and 24 elderly (mean age: 72.4 +/- 3.6 years) participants mentally simulated and actually execute…

A mathematical model of cardiovascular dynamics for the diagnosis and prognosis of hemorrhagic shock

2020

Abstract A variety of mathematical models of the cardiovascular system have been suggested over several years in order to describe the time-course of a series of physiological variables (i.e. heart rate, cardiac output, arterial pressure) relevant for the compensation mechanisms to perturbations, such as severe haemorrhage. The current study provides a simple but realistic mathematical description of cardiovascular dynamics that may be useful in the assessment and prognosis of hemorrhagic shock. The present work proposes a first version of a differential-algebraic equations model, the model dynamical ODE model for haemorrhage (dODEg). The model consists of 10 differential and 14 algebraic e…