Search results for "SIMULATION"

Thermodynamics and kinetics of ion permeation in wild-type and mutated open active conformation of the human α7 nicotinic receptor

2020

Molecular studies of human pentameric ligand-gated ion channels (LGICs) expressed in neurons and at neuromuscular junctions are of utmost importance in the development of therapeutic strategies for neurological disorders. We focus here on the nicotinic acetylcholine receptor nAChR-α7, a homopentameric channel widely expressed in the human brain, with a proven role in a wide spectrum of disorders including schizophrenia and Alzheimer's disease. By exploiting an all-atom structural model of the full (transmembrane and extracellular) protein in the open, agonist-bound conformation we recently developed, we evaluate the free energy and the mean first passage time of single-ion permeation using …

Development and pilot-scale validation of a fuzzy-logic control system for optimization of methane production in fixed-bed reactors

2018

International audience; The objective of this study was to develop an advanced control system for optimizing the performance of fixed-bed anaerobic reactors. The controller aimed at maximizing the bio-methane production whilst controlling the volatile fatty acids content in the effluent. For this purpose, a fuzzy-logic controller was developed, tuned and validated in an anaerobic fixed-bed reactor at pilot scale (350 L) treating raw winery wastewater. The results showed that the controller was able to adequately optimize the process performance, maximizing the methane production in terms of methane flow rate, resulting in an average methane yield of about 0.29 LCH4 g−1 COD. On the other han…

Analysing face to face computer-mediated interactions

2007

http://www.emse.fr/spip/IMG/pdf/RR_2007-400-004.pdf; Detailed analysis of face to face computer mediated interactions implies a study of a corpus composed of the interaction traces produced by the collaborative tool and video and audio recordings. Because of their separate nature, it is frequently difficult to perform this joint analysis. In order to facilitate such analyses we propose a model for describing corpora composed of sources from different media; we also describe how certain types of analyses can be modelled and reified for future use. We show how a tool based on these models facilitates a number of analysis methodologies by simplifying situations where entities are multiple: sev…

The Norwegian Motion-Laboratory

2018

This paper contains an overview of the equipment currently available in the Norwegian Motion Laboratory, a description of the IT networking infrastructure in the laboratory, a GitHub link to open source code developed, description of the PyQt-based graphical user interface, presentation of robot forward and inverse kinematics, presentation of equations of motion for the suspended load motion and a description of the full system kinematics. The paper ends with a list of research experiments and publications from the laboratory to date.

Theory-Based Interventions Combining Mental Simulation and Planning Techniques to Improve Physical Activity: Null Results from Two Randomized Control…

2016

Interventions to assist individuals in initiating and maintaining regular participation in physical activity are not always effective. Psychological and behavioral theories advocate the importance of both motivation and volition in interventions to change health behavior. Interventions adopting self-regulation strategies that foster motivational and volitional components may, therefore, have utility in promoting regular physical activity participation. We tested the efficacy of an intervention adopting motivational (mental simulation) and volitional (implementation intentions) components to promote a regular physical activity in two studies. Study 1 adopted a cluster randomized design in wh…

Pharmacogenomic identification of small molecules for lineage specific manipulation of subventricular zone germinal activity

2017

Strategies for promoting neural regeneration are hindered by the difficulty of manipulating desired neural fates in the brain without complex genetic methods. The subventricular zone (SVZ) is the largest germinal zone of the forebrain and is responsible for the lifelong generation of interneuron subtypes and oligodendrocytes. Here, we have performed a bioinformatics analysis of the transcriptome of dorsal and lateral SVZ in early postnatal mice, including neural stem cells (NSCs) and their immediate progenies, which generate distinct neural lineages. We identified multiple signaling pathways that trigger distinct downstream transcriptional networks to regulate the diversity of neural cells …

Studies on high speed uplink packet access performance enhancements

2014

Simulating multilevel dynamics of antimicrobial resistance in a membrane computing model

2019

Membrane computing is a bio-inspired computing paradigm whose devices are the so-called membrane systems or P systems. The P system designed in this work reproduces complex biological landscapes in the computer world. It uses nested “membrane-surrounded entities” able to divide, propagate, and die; to be transferred into other membranes; to exchange informative material according to flexible rules; and to mutate and be selected by external agents. This allows the exploration of hierarchical interactive dynamics resulting from the probabilistic interaction of genes (phenotypes), clones, species, hosts, environments, and antibiotic challenges. Our model facilitates analysis of several aspects…

A synthetic derivative of antimicrobial peptide holothuroidin 2 from mediterranean sea cucumber (Holothuria tubulosa) in the control of Listeria mono…

2019

Due to the limited number of available antibiotics, antimicrobial peptides (AMPs) are considered antimicrobial candidates to fight difficult-to-treat infections such as those associated with biofilms. Marine environments are precious sources of AMPs, as shown by the recent discovery of antibiofilm properties of Holothuroidin 2 (H2), an AMP produced by the Mediterranean sea cucumber Holothuria tubulosa. In this study, we considered the properties of a new H2 derivative, named H2d, and we tested it against seven strains of the dangerous foodborne pathogen Listeria monocytogenes. This peptide was more active than H2 in inhibiting the growth of planktonic L. monocytogenes and was able to interf…

1-methil-3H-pyrazolo[1-2-a]benzo[1-2-3-4]tetrazin-3-ones, design synthesis and biological activity of new antitumoral agents

2005

1-Methylpyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-ones 4, synthesized in good to excellent yields, were designed as novel alkylating agents because of their peculiar chemical behavior. All derivatives showed antiproliferative activity against more than 50 types of tumor cell lines with GI50 reaching sub-micromolar values. SAR studies revealed that the presence of a chlorine atom is well-tolerated in both positions 8 and 9, whereas in the case of the methyl group, switching from the 8 to the 9 position gives rise to the most active compound of the series, 4g, either for the number of cell lines inhibited and for selectivity against leukaemia and renal cancer subpanels. COMPARE and 3D-MIND comp…