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At least 55 records · Page 3Linked to original sources

Evaluation of source model coupled computational fluid dynamics (CFD) simulation of the dispersion of airborne contaminants in a work environment.

Dispersion of airborne contaminants in indoor air was evaluated employing physical measurement, empirical models, and computer simulation methods. Field data collected from a tray of evaporating solvent in the laboratory were compared with computational fluid dynamics (CFD) simulations coupled with evaporation models. The results indicated that mathematical models of evaporation can be coupled with CFD simulations to produce reasonable qualitative predictions of airborne contaminant levels. The airflow pattern within a room is primarily determined by the room layout and the position of the air supply diffusers. Variations in ventilation rate did not alter the airflow pattern, thus generating a characteristic concentration profile of the airborne contaminants.

2-Propanol↗

Modelling couplings among the oscillators of the cardiovascular system.

A mathematical model of the cardiovascular system is simulated numerically. The basic unit in the model is an oscillator that possesses a structural stability and robustness motivated by physiological understanding and by the analysis of measured time series. Oscillators with linear couplings are found to reproduce the main characteristic features of the experimentally obtained spectra. To explain the variability of cardiac and respiratory frequencies, however, it is essential to take into account the rest of the system, i.e. to consider the effect of noise. It is found that the addition of noise also results in epochs of synchronization, as observed experimentally. Preliminary analysis suggests that there is a mixture of linear and parametric couplings, but that the linear coupling seems to dominate.

Artifacts↗

A multi-component numerical leach model coupled with a general chemical speciation code.

A multi-component numerical leach model (SBLEM) was developed by coupling a general chemical speciation code with a modified Crank-Nicolson algorithm to determine the leaching behavior of contaminants in stabillized/solidified (s/s) wastes. The thermodynamic database of the speciation code was modified using batch leaching data. SBLEM was evaluated by simulating a dynamic leaching test of cement-treated combined bottom and fly ash from a municipal solid waste (MSW) incinerator. Simulations used an input composition prepared from acid neutralization capacity (ANC) test data of the ash. The results show that SBLEM can reasonably predict the dynamic leaching behavior of metals from the cement-treated ash when the ANC of the ash and pH-solubility curves of metals are well described. This indicates SBLEM simulations may be able to augment or replace experimental leaching tests that can consume a substantial period of time (> 2 months) and in some cases, provide unreliable results.

Forecasting↗

Mass spectrometric studies on the coupling model reaction towards alkenyl-aryl ketones.

The palladium catalysed coupling reactions of 1-iodo-cyclohexene have been investigated with the aim of the synthesis of model compounds towards unsaturated aryl-alkenyl ketones of practical interest in carbonylative Suzuki reaction. In addition to the target compounds, the formation of 1-aryl-cyclohexene derivatives, 1,1'-bi(cyclohex-1-en-1-yl), 1,2-dicyclohex-1-en-1-yl-ethane-1,2-dione, dicyclohex-1-en-1-yl-ketone and 1-aryl-2-cyclohexenyl-cyclohexene derivatives, as well as their isomerization products, have been observed in parallel and consecutive reactions, respectively. The complex reaction mixtures have been analysed with GC-MS providing valuable information to the investigation of the homogeneous catalytic reaction.

Boronic Acids↗

Antenatal screening for cystic fibrosis: a trial of the couple model.

OBJECTIVE: To assess the delivery and acceptability of antenatal couple screening for cystic fibrosis. Carrier status was notified only when both members of a partnership had cystic fibrosis alleles and therefore a one in four risk of having an affected child. DESIGN: Mouthwash samples were tested when both partners participated. Results were returned only to positive couples. SETTING: Two large maternity hospitals in Edinburgh. SUBJECTS: Screening was offered to all couples who booked at one of the two hospitals. MAIN OUTCOME MEASURES: (a) The take up of screening, carriers and carrier couples identified, take up of prenatal diagnosis, and numbers of affected fetuses detected; (b) questionnaire measures of patient satisfaction and stress. RESULTS: Screening was offered to 8536 couples. 714 (8.4%) were regarded as ineligible, usually because of late booking or absence of a partner. 1900 (24.3%) of the remainder declined screening. Among the 5922 screened couples, four tested positive--that is, both partners were cystic fibrosis heterozygotes. All four elected to have prenatal diagnosis. There were three terminations of pregnancy because of an affected fetus, one couple having two successive pregnancies with affected fetuses. The participation rate was 76% for eligible couples (5922/7822) and 69% for all couples (5922/8536). Only 89 screened couples (1.5%) requested information on individual carrier status. No anxiety was detected among a cohort of the screened population, and 99% of questioned participants expressed satisfaction with the concept of couple screening. CONCLUSIONS: Antenatal couple screening is a satisfactory and acceptable way of screening for cystic fibrosis and has been adopted as routine in the two trial hospitals.

Anxiety↗

Modeling coupled aerodynamics and vocal fold dynamics using immersed boundary methods.

The penalty immersed boundary (PIB) method, originally introduced by Peskin (1972) to model the function of the mammalian heart, is tested as a fluid-structure interaction model of the closely coupled dynamics of the vocal folds and aerodynamics in phonation. Two-dimensional vocal folds are simulated with material properties chosen to result in self-oscillation and volume flows in physiological frequency ranges. Properties of the glottal flow field, including vorticity, are studied in conjunction with the dynamic vocal fold motion. The results of using the PIB method to model self-oscillating vocal folds for the case of 8 cm H20 as the transglottal pressure gradient are described. The volume flow at 8 cm H20, the transglottal pressure, and vortex dynamics associated with the self-oscillating model are shown. Volume flow is also given for 2, 4, and 12 cm H2O, illustrating the robustness of the model to a range of transglottal pressures. The results indicate that the PIB method applied to modeling phonation has good potential for the study of the interdependence of aerodynamics and vocal fold motion.

Computer Simulation↗

A vectorized sequence-coupling model for predicting HIV protease cleavage sites in proteins.

What kind of peptide sequences can be cleaved by HIV protease, and what kind cannot be? This is a crucially important problem in designing effective inhibitors against HIV protease as potential drugs for AIDS therapy. To tackle this problem, a sequence-coupling and vectorized model is proposed for predicting the cleavability of oligopeptides by proteases with multiple and extended specificity subsites. In comparison with existing methods, the new method has proved to be an improvement in both the accuracy of the model and the rationality of the statistical treatment. Meanwhile, the Monte Carlo sampling procedure introduced here has also proved to be very useful in dealing with the situation when the experimental data are insufficiently sampled for complete statistics. Owing to its very high rate of correct prediction, it is expected that the new method can be a useful technique for helping to find effective inhibitors of HIV protease, which is one of the targets in designing potential drugs against AIDS. The principle of the new method can also be applied to analyzing the specificity of any multi-subsite enzyme.

Amino Acid Sequence↗

Elastic behavior in a supercooled liquid: analysis of viscoelasticity using an extended mode coupling model

The transverse current correlations are analyzed using the formalism of extended mode coupling theory. The undercooled liquid can sustain shear waves up to a minimum wave number. With the increase of density this wave number decreases, indicating a growing length scale that is related to the dynamics. The speed of the propagating shear waves goes to zero approaching a critical wave number. The maximum wavelength shows an initial enhancement approaching the mode coupling transition and finally grows at a slower rate as the sharp transition is cut off.

Journal Article↗

Critical dynamics of diluted relaxational models coupled to a conserved density.

We consider the influence of quenched disorder on the relaxational critical dynamics of a system characterized by a nonconserved order parameter coupled to the diffusive dynamics of a conserved scalar density (model C). Disorder leads to model A critical dynamics in the asymptotics; however, it is the effective critical behavior that is often observed in experiments and in computer simulations, and this is described by the full set of dynamical equations of diluted model C. Indeed, different scenarios of effective critical behavior are predicted.

Journal Article↗

A more aggressive breast cancer spheroid model coupled to an electronic capillary sensor system for a high-content screening of cytotoxic agents in cancer therapy: 3-dimensional in vitro tumor spheroids as a screening model.

One major problem in cancer therapy is the immortality of tumor cells showing an active telomerase, which is responsible for the elongation of the telomeres after each cellular division and the knocking down of apoptotic suppressors. A further phenomenon occurring during cancer therapies is the problem of multicellular resistance. To develop therapeutic anticancer approaches inducing cellular apoptosis, gene-modified biological in vitro systems were established and evaluated for drug screening in a capillary system for a real-time, impedimertic monitoring. Multicellular spheroids of the human breast cancer cell line T-47D clone 11 were transfected with 1) antisense caspase-3 cDNA expression vectors for knocking down the main cell death molecule and 2) sense Bcl-xl cDNA expression vectors for overexpressing the apoptotic suppressor, resulting in more aggressive tumor models. These gene-modified tumor spheroids less sensitive for apoptosis were developed for screening drugs such as methotrexate in tumor spheroid-based biosensor systems via impedance spectroscopy. In this report, it is demonstrated that this could successfully exhibit that this real-time monitoring system with tumor spheroids positioned in a capillary system with a 4-electrode configuration is the most efficient high-content screening module for impedimetric measurements of physiological alterations during gene modification and drug application.

Antineoplastic Agents↗

Iron-sulfur proteins: spin-coupling model for three-iron clusters.

Recent Mössbauer and EPR studies of two ferredoxins and of aconitase have given evidence for a three-iron cluster, probably of a [3Fe-3S] type. The studies of the oxidized EPR-active centers have shown that the three iron sites are characterized by significantly different magnetic hyperfine coupling constants. For the ferredoxin from Azotobacter vinelandii, for instance, we have observed A1 = -41 MHz, A2 = +18 MHz, and [A3] = 5 MHz. We demonstrate here that the magnetic properties of the clusters can be explained with a simple model of three high-spin ferric ions (S = 5/2) exchange-coupled to a system spin S = 1/2. The model assumes isotropic exchange and different couplings between the iron sites. The results show that the three sites have intrinsic hyperfine interactions similar to those of ferric rubredoxin; the differences in the observed interactions reflect the geometrical features of spin coupling. Furthermore, the three exchange coupling constants are equal within a factor of 2. This implies that the three-iron cluster is a single covalently linked structure and should not be considered as a [2Fe-2S] cluster weakly coupled to a third iron atom.

Azotobacter↗

Parallel processing by a homogeneous group of coupled model neurons can enhance, reduce and generate signal correlations.

Correlated activities have been proposed as correlates of flexible association and assembly coding. We addressed the basic question of how signal correlations on parallel pathways are enhanced, reduced and generated by homogeneous groups of coupled neurons, and how this depends on the input activities and their interactions with internal coupling processes. For this we simulated a fully connected group of identical impulse-coded neurons with dynamic input and threshold processes and additive or multiplicative lateral coupling. Input signals were Gaussian white noise (GWN), completely independent or partially correlated on a subgroup of the parallel inputs. We show that in states of high average spike rates input-output correlations were weak while the network could generate correlated activities of stochastic, oscillatory and rhythmic bursting types depending exclusively on lateral coupling strength. In states of low average spike rates input-output correlations were high and the network could effectively enhance or reduce differences in spatial correlation applied to its parallel inputs. The correlation differences were more pronounced with multiplicative lateral coupling than with the additive interactions commonly used. As the different modes of correlation processing emerged already by global changes in the average spike rate and lateral coupling strength, we assume that in real cortical circuits changes in correlational processing may also be induced by unspecific modulations of activation and lateral coupling.

Action Potentials↗

Noise shaping in populations of coupled model neurons.

Biological information-processing systems, such as populations of sensory and motor neurons, may use correlations between the firings of individual elements to obtain lower noise levels and a systemwide performance improvement in the dynamic range or the signal-to-noise ratio. Here, we implement such correlations in networks of coupled integrate-and-fire neurons using inhibitory coupling and demonstrate that this can improve the system dynamic range and the signal-to-noise ratio in a population rate code. The improvement can surpass that expected for simple averaging of uncorrelated elements. A theory that predicts the resulting power spectrum is developed in terms of a stochastic point-process model in which the instantaneous population firing rate is modulated by the coupling between elements.

Mathematics↗

A bone remodelling model coupling micro-damage growth and repair by 3D BMU-activity.

Bone as most of living tissues is able, during its entire lifetime, to adapt its internal microstructure and subsequently its associated mechanical properties to its specific mechanical and physiological environment in a process commonly known as bone remodelling. Bone is therefore continuously renewed and micro-damage, accumulated by fatigue or creep, is removed minimizing the risk of fracture. Nevertheless, bone is not always able to repair itself completely. Actually, if bone repairing function is slower than micro-damage accumulation, a type of bone fracture, usually known as "stress fracture", can finally evolve. In this paper, we propose a bone remodelling continuous model able to simulate micro-damage growth and repair in a coupled way and able therefore to predict the occurrence of "stress fractures". The biological bone remodelling process is modelled in terms of equations that describe the activity of basic multicellular units. The predicted results show a good correspondence with experimental and clinical data. For example, in disuse, bone porosity increases until an equilibrium situation is achieved. In overloading, bone porosity decreases unless the damage rate is so high that causes resorption or "stress fracture".

Algorithms↗

A local coupling model and compass parameter for eukaryotic chemotaxis.

Chemotaxis is a cellular sensing mechanism that guides immune cells to sites of infection and leads fibroblasts to sites of injury. Here, we show in migrating primary dendritic cells and fibroblasts that the leading edge is not a uniform signaling entity, but instead consists of independent coupling units in which transient activation of PI3-kinase links to local lamellipod extension and small discrete turns in the direction of migration. These findings led to a model in which global cell polarization is independent from the chemotaxis mechanism. In this model, chemotaxis does not require spatial integration but is instead a stochastic process in which each receptor binding event within the leading edge triggers a local lamellipod extension and a small turn in the direction of migration. We show that this model and a derived "compass parameter" are sufficient to simulate the observed random migration, biased random walk, and persistent chemotactic behaviors of eukaryotic cells.

Animals↗