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PubMed1980

Non-equimolar counter-diffusion in ternary gas systems.

Previous studies of multicomponent gas diffusion, using mathematical and physical models, have dealt with equimolar diffusion in closed systems. To simulate respiratory gas transport more faithfully, we have investigated ternary gas diffusion in open systems, which allow non-equimolar diffusion to occur. Theoretical results showed the effects of gas composition on the induced fluxes. A unique state in which the diffusion system satisfies both the equimolar and non-equimolar conditions was found for gas systems in which the net flux changes as the composition varies. To verify the non-equimolar film theory, we conducted experiments with a diffusion cell apparatus. Diffusional fluxes across a porous membrane were obtained for N2-O2-SF6, N2-O2-Ne, and N2-O2-He combinations. The experimental results agreed with the predicted values, validating the theoretical film approach.

Animals↗
PubMed2005

1S0 Superfluid phase transition in neutron matter with realistic nuclear potentials and modern many-body theories.

The 1S0 pairing in neutron matter is studied using realistic two- and three-nucleon interactions. The auxiliary field diffusion Monte Carlo method and correlated basis function theory are employed to get quantitative and reliable estimates of the gap. The two methods are in good agreement up to the maximum gap density and both point to a slight reduction with respect to the standard BCS value. In fact, the maximum gap is about 2.5 MeV at kF approximately 0.8 fm(-1) in BCS and 2.2-2.4 MeV at kF approximately 0.6 fm(-1)in correlated matter. In general, the computed medium polarization effects are much smaller than those previously estimated within all theories. Truncations of Argonne to simpler forms give the same gaps in BCS, provided the truncated potentials have been refitted to the same data set. The three-nucleon interaction provides an additional increase of the gap of about 0.35 MeV.

Journal Article↗
PubMed1998

Geometric and viscous components of the tortuosity of the extracellular space in the brain.

To understand the function of neuro-active molecules, it is necessary to know how far they can diffuse in the brain. Experimental measurements show that substances confined to the extracellular space diffuse more slowly than in free solution. The diffusion coefficients in the two situations are commonly related by a tortuosity factor, which represents the increase in path length in a porous medium approximating the brain tissue. Thus far, it has not been clear what component of tortuosity is due to cellular obstacles and what component represents interactions with the extracellular medium ("geometric" and "viscous" tortuosity, respectively). We show that the geometric tortuosity of any random assembly of space-filling obstacles has a unique value ( approximately 1.40 for radial flux and approximately 1.57 for linear flux) irrespective of their size and shape, as long as their surfaces have no preferred orientation. We also argue that the Stokes-Einstein law is likely to be violated in the extracellular medium. For molecules whose size is comparable with the extracellular cleft, the predominant effect is the viscous drag of the cell walls. For small diffusing particles, in contrast, macromolecular obstacles in the extracellular space retard diffusion. The main parameters relating the diffusion coefficient within the extracellular medium to that in free solution are the intercellular gap width and the volume fraction occupied by macromolecules. The upper limit of tortuosity for small molecules predicted by this theory is approximately 2.2 (implying a diffusion coefficient approximately five times lower than that in a free medium). The results provide a quantitative framework to estimate the diffusion of molecules ranging in size from Ca2+ ions to neurotrophins.

Animals↗
PubMed1997

[Perspectives of nursing science. Formation of a theory in a practice discipline].

In this article some problems about nursing theories are discussed. It is presumed that a science does not turn into a nursing science because it deals with nursing practice. Crucial is the way in which the practice is viewed, i.e. the question which theory is the starting point. Even normative nursing theories must be tested out in reality though this verification cannot be made exclusively with the methods of logical empiricism. The obligation for nursing theories to fit the metaparadigm as well as the concept of metaparadigm are discussed. It is also stated that nursing theories do not correspond to the diversity of everyday nursing. In order to create a complex everyday live, grounded theories are needed. For a better understanding, two grounded theories are described.

Diffusion of Innovation↗
PubMed1999

Long-time dynamics of Met-enkephalin: comparison of theory with Brownian dynamics simulations.

A recent theory for the long time dynamics of flexible chain molecules is applied for the first time to a peptide of biological importance, the neurotransmitter met-enkephalin. The dynamics of met-enkephalin is considerably more complicated than that of the previously studied glycine oligomers; met-enkephalin contains the interesting motions of phenyl groups and of side chains relative to the backbone, motions that are present in general flexible peptides. The theory extends the generalized Rouse (GR) model used to study the dynamics of polymers by providing a systematic procedure for including the contributions from the memory function matrices neglected in the GR theory. The new method describes the dynamics by time correlation functions instead of individual trajectories. These correlation functions are analytically expressed in terms of a set of equilibrium averages and the eigenvalues and eigenfunctions of the diffusion operator. The predictions of the theory are compared with Brownian dynamics (BD) simulations, so that both theory and simulation use identical potential functions and solvent models. The theory thus contains no adjustable parameters. Inclusion of the memory function contributions profoundly affects the dynamics. The theory produces very good agreement with the BD simulations for the global motions of met-enkephalin. It also correctly predicts the long-time relaxation rate for local motions.

Biophysical Phenomena↗
PubMed2002

A cellular automata model of ligand passage over a protein hydrodynamic landscape.

The subject of ligand passage to an active site on a protein is addressed. Current views on the mechanism and the possible role of surface water are discussed. A theory is presented in which the pattern of hydropathic states of protein surface amino acid side chains is invoked as the influence on the relative hydrophobic effects of nearby water. The theory describes a ligand passage through the hydrodynamic near-surface water which exhibits temporary organized cavities resembling the chreodes introduced by Waddington. The passage of the ligand to the active site is facilitated by this dynamic mechanism. Cellular automata models of preferential directional diffusion through these chreodes support the theory. The theory may be invoked to explain a number of ligand-active site observations and serves as an idea for further studies.

Animals↗
PubMed1986

Eggshell conductance--Fick's or Stefan's law?

The diffusion of gases through the avian eggshell has usually been interpreted as an example of Fick's law, and this appears to be the best explanation for gas exchange through narrow long pores. Many eggshells, however, contain more elaborate pores, of which the funnel-shaped type is the most common. It is suggested that most of the resistance to diffusion through these types of pores is best explained by Stefan's law of diffusion through apertures. The implications of this theory to the understanding of pore functions are discussed.

Animals↗
PubMed2003

An adaptation of the theory of interpersonal behaviour to the study of telemedicine adoption by physicians.

Physicians' acceptance of telemedicine constitutes a prerequisite for its diffusion on a national scale. Based upon the Theory of Interpersonal Behavior, this study was aimed at assessing the predictors of physicians' intention to use telemedicine in their clinical practice. All of the physicians involved in the RQTE, the extended provincial telemedicine network of Quebec (Canada) were mailed a questionnaire to identify the psychosocial determinants of their intention to adopt telemedicine. Confirmatory factor analysis (CFA) was performed to assess the measurement model and structural equation modelling (SEM) was applied to test the theoretical model. The adapted theoretical model explained 81% (P<0.001) of variance in physicians' intention to use telehealth. The main predictors of intentions were a composite normative factor, comprising personal as well as social norms (beta=1.08; P<0.001) and self identity (beta=-0.33; P<0.001). Thus, physicians who perceived professional and social responsibilities regarding adoption of telehealth in their clinical practice had stronger intention to use this technology. However, it is likely that personal identity had a suppression effect in the regression equation, indicating that physicians' intention to use telemedicine was better predicted if their self-perception as telemedicine users was considered. These results have several implications at the theoretical and practical levels that are discussed in this paper.

Adult↗
PubMed2006

Phosphine dissociation and diffusion on Si(001) observed at the atomic scale.

A detailed atomic-resolution scanning tunneling microscopy (STM) and density functional theory study of the adsorption, dissociation, and surface diffusion of phosphine (PH(3)) on Si(001) is presented. Adsorbate coverages from approximately 0.01 monolayer to saturation are investigated, and adsorption is performed at room temperature and 120 K. It is shown that PH(3) dissociates upon adsorption to Si(001) at room temperature to produce both PH(2) + H and PH + 2H. These appear in atomic-resolution STM images as features asymmetric-about and centered-upon the dimer rows, respectively. The ratio of PH(2) to PH is a function of both dose rate and temperature, and the dissociation of PH(2) to PH occurs on a time scale of minutes at room temperature. Time-resolved in situ STM observations of these adsorbates show the surface diffusion of PH(2) adsorbates (mediated by its lone pair electrons) and the dissociation of PH(2) to PH. The surface diffusion of PH(2) results in the formation of hemihydride dimers on low-dosed Si(001) surfaces and the ordering of PH molecules along dimer rows at saturation coverages. The observations presented here have important implications for the fabrication of atomic-scale P dopant structures in Si, and the methodology is applicable to other emerging areas of nanotechnology, such as molecular electronics, where unambiguous molecular identification using STM is necessary.

Journal Article↗
PubMed1966

Analysis of permeability data for the case of parallel diffusion pathways.

A method of analyzing permeability or diffusion temperature-flux data, for the case of two parallel, independent diffusion fluxes is presented. Separate activation energies and frequency factors corresponding to independent and concurrent Arrhenius mechanisms are obtained from this procedure when the fluxes are of comparable magnitude. The method is developed in terms of membrane permeability theory since spatially separate and distinct diffusion pathways are of frequent occurrence in biological membranes. It is illustrated in the specific case of water diffusion through a keratin membrane. The results implicate the presence of "bound" water as a crucial factor in passive diffusion of water and polar molecules through the membrane.

Biological Transport↗
PubMed1998

New methods for semiconductor charge-diffusion-length measurements using synchrotron radiation.

The extension of a new theory on the X-ray energy response of semiconductor detectors is carried out to characterize the X-ray response of a multichannel semiconductor detector fabricated on one silicon wafer. Recently, these multichannel detectors have been widely utilized for position-sensitive observations in various research fields, including synchrotron radiation research and fusion-plasma investigations. This article represents the verification of the physics essentials of a proposed theory on the X-ray response of semiconductor detectors. The three-dimensional charge-diffusion effects on the adjoining detector-channel signals are experimentally demonstrated at the Photon Factory for two types of multichannel detectors. These findings are conveniently applicable for measuring diffusion lengths for industrial requirements.

Journal Article↗
PubMed2005

Theory of susceptibility-induced transverse relaxation in the capillary network in the diffusion narrowing regime.

The transverse relaxation effect of deoxyhemoglobin compartmentalization in erythrocytes in the capillary network is investigated using an analytical approach. The capillaries are modeled as long arrays of paramagnetic spheres, simulating the individual red blood cells. Calculations are performed in the diffusion narrowing regime, which holds for the native blood paramagnetism at moderate fields up to about 1.5 T, for the free induction decay, the Hahn spin-echo, and the Carr-Purcell-Meiboom-Gill sequence. The commonly used model of capillaries as homogeneously magnetized cylinders is shown to underestimate the capillary contribution to the susceptibility-induced relaxation rate by up to 55%. This results in a noticeable change in the predicted deoxyhemoglobin concentration needed to cause the variation in the transverse relaxation rate observed in functional MRI and may affect subsequent quantification of physiological parameters derived from the BOLD signal. Furthermore, the model for the individual red blood cells (RBCs) represents a framework for investigating the effects of interspecies and intersubject variations in hematocrit, RBC deoxyhemoglobin concentration, and cell size on the relaxation rate. The results agree within their validity domain with previous Monte Carlo simulations.

Blood Volume↗
PubMed1998

Determination of saturation charge and collection efficiency for ionization chambers in continuous beams.

The procedure recommended by radiation dosimetry protocols for determining the collection efficiency f of an ionization chamber assumes the predominance of general recombination and ignores other charge loss mechanisms such as initial recombination and ionic diffusion. For continuous radiation beams, general recombination theory predicts that f can be determined from a linear relationship between 1/Q and 1/V2 in the near saturation region (f > 0.7), where Q is the measured charge and V the applied chamber potential. Measurements with Farmer-type cylindrical ionization chambers exposed to cobalt-60 gamma rays reveal that the assumed linear relationship between 1/Q and 1/V2 breaks down in the extreme near-saturation region (f > 0.99) where Q increases with V at a rate exceeding the predictions of general recombination theory. A comprehensive model is developed to describe the saturation characteristics of ionization chambers. The model accounts for dosimetric charge loss (initial recombination, ionic diffusion, and general recombination) and nondosimetric charge multiplication in an ionization chamber, and suggests that charge multiplication plays a significant role under typical chamber operating conditions (300 V) used in radiation dosimetry. Through exclusion of charge multiplication from the measured chamber signal Q, the model predicts the breakdown of the 1/Q vs 1/V2 relationship and shows that the final approach to saturation is governed by initial recombination and ionic diffusion which are characterized by a linear relationship between 1/Q and 1/V. Collection efficiencies calculated with this model differ by up to 0.4% from those determined through a rigorous application of general recombination theory alone.

Biophysical Phenomena↗
PubMed1998

Quantitative microdialysis of ethanol in rat striatum.

We have applied a steady-state theory of microdialysis to characterize the diffusion of ethanol through a microdialysis membrane and through rat striatum. Quantitative characterization required measurement of in vitro and in vivo extraction fractions for ethanol and determination of the clearance of ethanol from brain tissue during steady-state perfusion through a microdialysis probe. Extraction fraction of ethanol was determined in vitro by perfusing a known concentration of ethanol through probes immersed in water at 37 degrees C with stirring. The in vitro extraction fraction yielded a probe permeability value of 0.046 +/- 0.004 cm/min that is comparable with an estimate from published measurements for similar dialysis membranes. The in vivo extraction fraction was determined for probes placed in the striatum. Clearance of ethanol and a brain slice concentration profile of ethanol were determined by measurement of the amount of ethanol remaining in the brain tissue during steady-state perfusion of the probe. Steady state was achieved within 10 min after beginning the ethanol perfusion in vivo, and the extraction fraction was not altered by sedation of the rat with pentobarbital. The tissue concentration profile was symmetrical around the probe track, and ethanol was detected 1 mm from the probe. The experimental clearance rate constant value obtained for ethanol (2.0 +/- 0.3 min(-1)) was higher than that expected for removal solely by loss to the blood. The tissue diffusivity for ethanol, Dt, derived from the experimental measurements was 1.2 +/- 0.2 x 10(-5) cm2/sec. This value is greater than expected for interstitial diffusion, suggesting a substantial contribution by transcellular diffusion of ethanol as well. The predicted tissue concentration profile had a higher peak value and did not extend into the tissue (0.5 mm) as much as the experimental profile (1 mm), although there was reasonable agreement between experiment and theory. Our quantitative characterization of the microdialysis behavior of ethanol in brain provides a framework for interpretation of brain microdialysis experiments using ethanol by supplying, inter alia, a means for estimating the ethanol concentration achieved in the tissue volume being sampled by the probe.

Animals↗
PubMed2002

Steady-state limiting currents at finite conical microelectrodes.

The investigation of steady-state diffusion-limiting currents at finite conical microelectrodes is reported. Such electrodes are of particular interest as probes in studies of kinetic reactions, measurements in microenvironments, and high-resolution electrochemical imaging. The diffusion-limiting currents were calculated using numerical (finite element) analysis and compared to those obtained at inlaid disk and hemispheroidal microelectrodes. Time-dependent simulations demonstrating the approach of the diffusion current to a steady-state value are also reported. The steady-state diffusion-limiting currents obtained were found to be a strong function of the electrode geometry, including the aspect ratio of the cone and the thickness of the insulating sheath. Thus, simple, approximate analytical expressions which account for these geometrical dependencies in the simulated steady-state diffusion-limited currents are also reported. As a limiting case, an analytical approximation was obtained for the steady-state current to a microdisk as a function of the insulator thickness. The use of these approximate equations in calculating electrode radii from steady-state diffusion-limiting currents is demonstrated, and good agreement was found with previously reported experimental studies. Use of the frequently implemented hemispherical theory to analyze steady-state diffusion-limiting currents obtained with finite conical microelectrodes is shown to result in an experimentally acceptable underestimation of the electrode radius.

Journal Article↗