Search results for "Simulation"
showing 10 items of 5095 documents
Optical gain, spontaneous and stimulated emission of surface plasmon polaritons in confined plasmonic waveguide
2010
International audience; We develop a theoretical model to compute the local density of states in a confined plasmonic waveguide. Based on this model, we derive a simple formula with a clear physical interpretation for the lifetime modification of emitters embedded in the waveguide. The gain distribution within the active medium is then computed following the formalism developed in a recent work [Phys. Rev. B 78, 161401 (2008)], by taking rigorously into account the pump irradiance and emitters lifetime modifications in the system. We finally apply this formalism to describe gain–assisted propagation in a dielectric–loaded surface plasmon polariton waveguide.
Convection, diffusion and reaction in a surface-based biosensor: Modeling of cooperativity and binding site competition on the surface and in the hyd…
2005
We study theoretically the transport and kinetic processes underlying the operation of a biosensor (particularly the surface plasmon sensor "Biacore") used to study the surface binding kinetics of biomolecules in solution to immobilized receptors. Unlike previous studies, we concentrate mainly on the modeling of system-specific phenomena rather than on the influence of mass transport limitations on the intrinsic kinetic rate constants determined from binding data. In the first problem, the case of two-site binding where each receptor unit on the surface can accommodate two analyte molecules on two different sites is considered. One analyte molecule always binds first to a specific site. Sub…
Semi-physiologic model validation and bioequivalence trials simulation to select the best analyte for acetylsalicylic acid
2015
Abstract The objective of this paper is to apply a previously developed semi-physiologic pharmacokinetic model implemented in NONMEM to simulate bioequivalence trials (BE) of acetyl salicylic acid (ASA) in order to validate the model performance against ASA human experimental data. ASA is a drug with first-pass hepatic and intestinal metabolism following Michaelis–Menten kinetics that leads to the formation of two main metabolites in two generations (first and second generation metabolites). The first aim was to adapt the semi-physiological model for ASA in NOMMEN using ASA pharmacokinetic parameters from literature, showing its sequential metabolism. The second aim was to validate this mod…
Computer simulations for bioequivalence trials: Selection of analyte in BCS class II and IV drugs with first-pass metabolism, two metabolic pathways …
2018
A semi-physiological two compartment pharmacokinetic model with two active metabolites (primary (PM) and secondary metabolites (SM)) with saturable and non-saturable pre-systemic efflux transporter, intestinal and hepatic metabolism has been developed. The aim of this work is to explore in several scenarios which analyte (parent drug or any of the metabolites) is the most sensitive to changes in drug product performance (i.e. differences in in vivo dissolution) and to make recommendations based on the simulations outcome. A total of 128 scenarios (2 Biopharmaceutics Classification System (BCS) drug types, 2 levels of KM Pgp, in 4 metabolic scenarios at 2 dose levels in 4 quality levels of t…
Observation of interaction forces by investigation of the influence of eluent additives on the retention behavior of aqueous nanoparticle dispersions…
2020
The investigation and subsequent understanding of the interactions of nanomaterials with components of their surrounding media is important to be able to evaluate both potential use cases as well as potential risks for human health and for the environment. To investigate such interactions, asymmetrical flow field-flow fractionation (AF4) is an interesting analytical tool. This statement grounds on the fact that interactions of the analyte with the membrane and with components of the eluent are crucial for the retention behavior of the analyte within the field-flow fractionation (FFF) channel. Therefore, the investigation of the retention behavior provides an insight in the nature of the int…
Electrochemical pH Control at Gold Nanowires
2018
In this work, interdigitated arrays of nanowire electrodes are used with one array acting as the working electrode while the other is used to generate the required protons. Finite element simulations of the pH control electrodes were performed to provide insight on the generation and subsequent diffusion of protons. This informed the inter-tine spacing of the electrodes used.. This electrochemical pH control method was then used to enable the detection of analytes of interest.
Cubic smoothing splines background correction in on-line liquid chromatography–Fourier transform infrared spectrometry
2010
A background correction method for the on-line coupling of gradient liquid chromatography and Fourier transform infrared spectrometry (LC-FTIR) is proposed. The developed approach applies univariate background correction to each variable (i.e. each wave number) individually. Spectra measured in the region before and after each peak cluster are used as knots to model the variation of the eluent absorption intensity with time using cubic smoothing splines (CSS) functions. The new approach has been successfully tested on simulated as well as on real data sets obtained from injections of standard mixtures of polyethylene glycols with four different molecular weights in methanol:water, 2-propano…
Ancestral Reconstruction and Investigations of Genomic Recombination on some Pentapetalae Chloroplasts
2019
Abstract In this article, we propose a semi-automated method to rebuild genome ancestors of chloroplasts by taking into account gene duplication. Two methods have been used in order to achieve this work: a naked eye investigation using homemade scripts, whose results are considered as a basis of knowledge, and a dynamic programming based approach similar to Needleman-Wunsch. The latter fundamentally uses the Gestalt pattern matching method of sequence matcher to evaluate the occurrences probability of each gene in the last common ancestor of two given genomes. The two approaches have been applied on chloroplastic genomes from Apiales, Asterales, and Fabids orders, the latter belonging to Pe…
Angiogenic activity of breast cancer patients' monocytes reverted by combined use of systems modeling and experimental approaches.
2015
Angiogenesis plays a key role in tumor growth and cancer progression. TIE-2-expressing monocytes (TEM) have been reported to critically account for tumor vascularization and growth in mouse tumor experimental models, but the molecular basis of their pro-angiogenic activity are largely unknown. Moreover, differences in the pro-angiogenic activity between blood circulating and tumor infiltrated TEM in human patients has not been established to date, hindering the identification of specific targets for therapeutic intervention. In this work, we investigated these differences and the phenotypic reversal of breast tumor pro-angiogenic TEM to a weak pro-angiogenic phenotype by combining Boolean m…
Characteristics of the early flight phase in the Olympic ski jumping competition.
2004
Early flight phase (approximately 40 m) of the athletes participating in the final round of the individual large hill ski jumping competition in Salt Lake City Olympics was filmed with two high-speed pan & tilt video cameras. The results showed that jumpers' steady flight position was almost completed within 0.5s. The most significant correlation with the length of the jump was found in the angle between the skis and body (r=.714, p.001 at 1.1s after the take-off). This particular phase seemed to be important because the ski angle of attack was also related to the jumping distance at the same phase. Although the more upright ski position relative to flight path resulted in longer jumping di…