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At least 757 records · Page 42Linked to original sources
PubMed2005

Simple kinetic model for fluid flows in the nanometer scale.

Fluid flows in the nanometer scale can be studied by molecular dynamics or Monte Carlo methods, but the time and length scales are usually limited to rather short ranges due to the computational expense. Kinetic theory is an alternative tool for studying nanoscale flows, but the existing models are rather complicated and difficult to implement. In this paper, we propose a simple Enskog-like kinetic model for nanoscale flows. The results predicted by this model compare well with molecular dynamics or Monte Carlo simulation results in the literature.

Journal Article↗
PubMed1975

Kinetic model of the protein-mediated phosphatidylcholine exchange between single bilayer liposomes.

The phosphatidylcholine exchange protein from beef liver catalyzes the exchange of phosphatidylcholine between single bilayer liposomes (Hellings et al. (1974), Eur. J. Biochem. 47, 601). A model has been proposed which describes the kinetics of this exchange. Steady-state equations have been derived from the model and have been used for the derivation of the theoretical rate equation. Computer analysis shows a good fit with the experimental results. It follows from the analysis that the apparent dissociation constant of the exchange protein-liposome complex decreases with an increasing phosphatidic acid content of the liposomes. This suggests that in this model system it is the phospholipid composition of the membranes involved that regulates the amount of exchange protein available to function as a carrier of phosphatidylcholine.

Animals↗
PubMed1987

Positron emission tomography (PET) in the study of dopamine receptors in the primate brain: evaluation of a kinetic model using 11C-N-methyl-spiperone.

The regional kinetics of 11C-N-methyl-spiperone (11C-NMSP) are described in the monkey brain under tracer conditions and after displacement and protection experiments. The primary aim of the study was to investigate different methodological problems associated with use of 11C-NMSP in the quantitation of receptor properties before applying the method in clinical research. Special emphasis was placed on the evaluation of different mathematical approximations of a general compartment model. Different mathematical procedures are described and the results indicate that the approximations performed are reasonable. The simplest method for obtaining a reliable measurement of the rate constant k3 (which is approximately equal to proportional to the number of receptors) and k4 (the receptor dissociation rate constant) uses the radioactivity in the cerebellum as a measure of the tissue concentration of ligand equilibrating with the receptor compartment.

Animals↗
PubMed1986

Mononuclear phagocyte system in SLE. II. A kinetic model of immune complex handling in systemic lupus erythematosus.

Using the principles of reaction kinetics, we constructed a model for the handling of immune complexes and the pathogenesis of SLE immune complex disease. The model incorporates rate constants for complement- and Fc-mediated clearance, parameters for autoantibody, complement and immune complex levels, and scores for clinical disease activity. The model assumes that complement fixation by immune complexes is a prerequisite for complement-mediated clearance and that disease activity results from immune complex deposition. To test the relationships derived, data from 32 lupus patients were analyzed and the predictions were compared with actual findings. The model predicts a low correlation coefficient between disease activity and immune complex levels (found, r = 0.25, p greater than 0.1). The model also predicts a poor correlation between disease activity and impaired Fc-mediated clearance in patients with normal complement levels (found, r = 0.10, p greater than 0.1), but a high correlation coefficient between disease activity and impaired Fc-mediated clearance in patients with hypocomplementemia (found, r = 0.61, p less than 0.001). In patients with normal complement levels, the model predicts a good correlation between anti-DNA antibody and immune complex levels (found, r = 0.71, p less than 0.001), whereas hypocomplementemic patients should have a good correlation between anti-DNA to CH50 ratios and immune complex levels (found, r = 0.73, p less than 0.001). The model predicts that disease activity should correlate better with the product of the anti-DNA to CH50 ratio and the rate constant for Fc-mediated clearance than with any single parameter (found, r = 0.85, p less than 0.0001). These significant correlations, which were predicted by the model, suggest that complement-mediated mechanisms are the first line of host defense against immune complex-induced injury, that the efficiency of complement opsonization plays a central role, and that both abnormal complement- and Fc-receptor function leads to active renal disease in SLE.

Antibodies, Antinuclear↗
PubMed1990

Transepithelial transport of vinblastine by kidney-derived cell lines. Application of a new kinetic model to estimate in situ Km of the pump.

We present a new transport model that may be useful for many kinds of transepithelial transport experiments. The model permits estimation of a pump Km and pump activity solely on the basis of transepithelial tracer fluxes. We apply the model to studies of a multidrug efflux pump, P-glycoprotein, which is normally located in the apical plasma membrane of certain transporting epithelia such as kidney proximal tubule cells. To determine the functional properties of this multidrug transporter in an epithelium, we studied the transepithelial transport of the chemotherapeutic drug, vinblastine, in epithelia formed by the kidney cell lines MDCK, LLC-PK1, and OK. We have previously shown that basal to apical flux of 100 nM vinblastine was about five times higher than apical to basal flux in MDCK epithelia, indicating that there is a net transepithelial transport of vinblastine across MDCK epithelia. Addition of unlabeled vinblastine reduced basal to apical flux of tracer and increased apical to basal flux of tracer in a concentration-dependent manner, a pattern expected if there is a saturable pump that extrudes vinblastine at the apical plasma membrane. The model permits estimation of a pump Km and pump activity solely on the basis of transepithelial tracer fluxes. According to the transport model the apical membrane pump has Michaelis-Menten kinetics with an apparent Km = 1.1 microM. Net basal to apical transport of vinblastine was also observed in LLC-PK1 cells and OK cells which are other kidney-derived cell lines. The order of potency of the transport is LLC-PK1 greater than MDCK greater than OK cells. The organic cation transporter is not involved in this vinblastine transport because vinblastine transport in MDCK cells was not affected by 3 mM tetramethyl- or tetraethylammonium. Inhibitors of vinblastine transport in MDCK cells was not affected by potency, were verapamil greater than vincristine greater than actinomycin D greater than daunomycin. The transport pattern we observed is that predicted to result from the function of the multidrug transporter in the apical plasma membrane.

Animals↗
PubMed1983

Cell cycle kinetic data can be simulated by a simple chemical kinetic model.

This paper develops a model of the cell cycle from the assumption that the rate of progression from one mitosis to the next is limited by the time taken to complete a defined sequence of rate-limiting chemical reactions. The model is shown to be related to earlier models which represent limiting forms of this more rigorous description. Earlier models were classified as stochastic or deterministic, but in this case, while the overall structure is deterministic, the individual steps are stochastically variable. Thus, this description demonstrates that both views were partially correct but were incomplete in detail. By applying the model to several experimental cell cycle curves, sets of coefficients corresponding to reaction rate constants could be obtained. A striking feature of these results is that only a small number (1-3) of slow steps dominated the rate of cell division. A discussion of some recent experimental results suggests possible candidates for the few slow rate-limiting steps, and outlines a rigorous method of testing the model.

Cell Cycle↗
PubMedDate not supplied

[A kinetic model of muscles: modeling stationary contractions].

Using a recently proposed model of muscle contraction with a modified six-state kinetic scheme of the cross-bridge cycle, computer simulation was made of the dependence of the muscle fibre tension, stiffness and ATPase rate on the contraction velocity and concentrations of the substrate and products of the ATPase reaction. It is shown that the model well describes the experimental data.

Adenosine Diphosphate↗
PubMed2004

Kinetic modeling and equilibrium studies during cadmium biosorption by dead Sargassum sp. biomass.

A basic investigation on the removal of cadmium(II) ions from aqueous solutions by dead Sargassum sp. was conducted in batch conditions. The influence of different experimental parameters; initial pH, shaking rate, sorption time, temperature and initial concentrations of cadmium ions on cadmium uptake was evaluated. Results indicated that cadmium uptake could be described by the Langmuir adsorption model, being the monolayer capacity negatively affected with an increase in temperature. Analogously, the adsorption equilibrium constant decreased with increasing temperature. The kinetics of the adsorption process followed a second-order adsorption, with characteristic constants increasing with increasing temperature. Activation energy of biosorption could be calculated as equal to 10 kcal/mol. The biomass used proved to be suitable for removal of cadmium from dilute solutions. Its maximum uptake capacity was 120 mg/g. It can be considered an optimal result when compared to conventional adsorbing materials. Thus Sargassum sp. has great potential for removing cadmium ions especially when concentration of this metal is low in samples such as wastewater streams.

Adsorption↗
PubMed2004

Application of a kinetic model to the apparently complex behavior of negative and positive allosteric modulators of muscarinic acetylcholine receptors.

The binding of allosteric modulators to G protein-coupled receptors (GPCRs) is often described by an equilibrium allosteric ternary complex model (ATCM). This study evaluated the effects of three modulators on the binding of [(3)H]N-methylscopolamine ([(3)H]NMS) to the human M(2) muscarinic acetylcholine receptor (mAChR). The binding of each modulator was more complex than predicted by the ATCM; the inhibitors heptane-1,7-bis-(dimethyl-3-phthalimidopropyl)-ammonium bromide and gallamine yielded biphasic curves that were described empirically by a two-site binding model, whereas the enhancer alcuronium yielded a bell-shaped curve. Radioligand dissociation assays revealed that the modulators retarded [(3)H]NMS kinetics such that the system never attained equilibrium. Subsequent application of a kinetic ATCM accommodated and quantified all experimental observations. Our findings confirm and extend previous studies on the use of a kinetic ATCM for mAChR allosteric enhancers, but also highlight how complex curves displayed by allosteric inhibitors can be misinterpreted in terms of multisite orthosteric binding. It is possible that similar behavior of other allosteric modulators at GPCRs may reflect nonequilibrium binding artifacts rather than deviation from an ATCM.

Allosteric Regulation↗