Search results for "computational"
showing 10 items of 5884 documents
Modelling cardiac mechanics of left ventricular noncompaction
2020
Left ventricular noncompaction (LVNC) can be defined as a cardiomyopathy characterised by a pattern of prominent trabecular structure and deep intertrabecular recesses, that is thought to be caused by an arrest of normal endomyocardial morphogenesis. Using patient-specific computational modelling, we assessed the cardiac mechanics of five patients with LVNC and compared myocardial stress and pump performance to those of healthy controls. Findings shown that patients with LVNC have impaired left ventricular (LV) function, making it possible that the lack of fibre shortening of noncompacted layer can determine poor heart function. Pronounced end-systolic wall stress on left ventricular wall o…
Embryologic outcome and secretome profile of implanted blastocysts obtained after coculture in human endometrial epithelial cells versus the sequenti…
2008
Objective To compare embryologic and clinical outcomes in terms of preimplantation development, implantation, pregnancy rates, and secretome profile of implanted blastocysts from the preimplantation genetic diagnosis program grown in sequential versus endometrial epithelial cell (EEC) coculture system. Design Retrospective clinical study and prospective experimental study. Setting In vitro fertilization clinical unit and university research laboratory. Intervention(s) Blastomere biopsy, embryo culture, blastocyst transfer, and protein analysis of the media conditioned from implanted embryos obtained from coculture and sequential systems. Main Outcome Measure(s) Clinical study: blastocyst, i…
Novel Combination of Sorafenib and Celecoxib Provides Synergistic Anti-Proliferative and Pro-Apoptotic Effects in Human Liver Cancer Cells
2013
Molecular targeted therapy has shown promise as a treatment for advanced hepatocellular carcinoma (HCC). Sorafenib, a multikinase inhibitor, recently received FDA approval for the treatment of advanced HCC. However, although sorafenib is well tolerated, concern for its safety has been expressed. Celecoxib (Celebrex®) is a selective cyclooxygenase-2 (COX-2) inhibitor which exhibits antitumor effects in human HCC cells. The present study examined the interaction between celecoxib and sorafenib in two human liver tumor cell lines HepG2 and Huh7. Our data showed that each inhibitor alone reduced cell growth and the combination of celecoxib with sorafenib synergistically inhibited cell growth an…
On automatic algorithm configuration of vehicle routing problem solvers
2019
Many of the algorithms for solving vehicle routing problems expose parameters that strongly influence the quality of obtained solutions and the performance of the algorithm. Finding good values for these parameters is a tedious task that requires experimentation and experience. Therefore, methods that automate the process of algorithm configuration have received growing attention. In this paper, we present a comprehensive study to critically evaluate and compare the capabilities and suitability of seven state-of-the-art methods in configuring vehicle routing metaheuristics. The configuration target is the solution quality of eight metaheuristics solving two vehicle routing problem variants.…
A Multiple Surrogate Assisted Decomposition Based Evolutionary Algorithm for Expensive Multi/Many-Objective Optimization
2019
Many-objective optimization problems (MaOPs) contain four or more conflicting objectives to be optimized. A number of efficient decomposition-based evolutionary algorithms have been developed in the recent years to solve them. However, computationally expensive MaOPs have been scarcely investigated. Typically, surrogate-assisted methods have been used in the literature to tackle computationally expensive problems, but such studies have largely focused on problems with 1–3 objectives. In this paper, we present an approach called hybrid surrogate-assisted many-objective evolutionary algorithm to solve computationally expensive MaOPs. The key features of the approach include: 1) the use of mul…
Methyl Radical in Clathrate Silica Voids. The Peculiar Physisorption Features of the Guest-Host Molecular Dynamics Interaction.
2016
EPR line shape simulations of CH3/SiO2 clathrates and comparison to CH3/N2O and CH3/SiO2 experiments reveal the motional conditions of the CH3 radical up to the unusual regime of its stability, the high-temperature diffusional regime, at 300 K. In the low-temperature region, the CH3 in clathrates is found to rotate around the in-plane axes even at as low temperatures as 3.8 K. However, nonrotating methyls performing only libration about the C2-axes as well as around the C3-axis are also found, proving the existence of special sites in the clathrate voids that begin to accumulate a significant fraction of methyl radicals at temperatures below approximately 7 K. A distinctive feature in the s…
ON-LINE CONSTRUCTION OF A SMALL AUTOMATON FOR A FINITE SET OF WORDS
2012
In this paper we describe a "light" algorithm for the on-line construction of a small automaton recognising a finite set of words. The algorithm runs in linear time. We carried out good experimental results on real dictionaries, on biological sequences and on the sets of suffixes (resp. factors) of a set of words that shows how our automaton is near to the minimal one. For the suffixes of a text, we propose a modified construction that leads to an even smaller automaton. We moreover construct linear algorithms for the insertion and deletion of a word in a finite set, directly from the constructed automaton.
On the Finite Element Modeling of the Lumbar Spine: A Schematic Review
2023
Finite element modelling of the lumbar spine is a challenging problem. Lower back pain is among the most common pathologies in the global populations, owing to which the patient may need to undergo surgery. The latter may differ in nature and complexity because of spinal disease and patient contraindications (i.e., aging). Today, the understanding of spinal column biomechanics may lead to better comprehension of the disease progression as well as to the development of innovative therapeutic strategies. Better insight into the spine’s biomechanics would certainly guarantee an evolution of current device-based treatments. In this setting, the computational approach appears to be a remarkable …
Global sensitivity analysis in environmental water quality modelling: Where do we stand?
2014
Global sensitivity analysis (GSA) is a valuable tool to support the use of mathematical models for environmental systems. During the last years the water quality modelling field has embraced the use of GSA. Environmental water quality modellers have tried to transfer the knowledge and experience acquired in other disciplines. The main objective of this paper is to provide an informed problem statement of the issues surrounding GSA applications in the environmental water quality modelling field. Specifically, this paper aims at identifying, for each GSA method, the potential use, the critical issues to be solved and the limits identified in a comprehensive literature review. The paper shows …
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.
2015
In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…