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PubMed2006

Forty years of 90Sr in situ migration: importance of soil characterization in modeling transport phenomena.

In 1960 experiments were carried out on the transfer of (90)Sr between soil, grapes and wine. The experiments were conducted in situ on a piece of land limited by two control strips. The (90)Sr migration over the last 40 years was studied by performing radiological and physico-chemical characterizations of the soil on eight 70 cm deep cores. The vertical migration modeling of (90)Sr required the definition of a triple layer conceptual model integrating the rainwater infiltration at constant flux as the only external factor of influence. Afterwards the importance of a detailed soil characterization for modeling was discussed and satisfactory simulation of the (90)Sr vertical transport was obtained and showed a calculated migration rate of about 1.0 cm year(-1) in full agreement with the in situ measured values. The discussion was regarding some of the key parameters such as granulometry, organic matter content (in the Van Genuchten parameter determination), Kd and the efficient rainwater infiltration. Besides the experimental data, simplifying assumptions in modeling such as water-soil redistribution calculation and factual discontinuities in conceptual model were examined.

Biological Transport↗
PubMed1991

The influence of model parameter values on the prediction of skin surface temperature: II. Contact problems.

A model of heat transfer and temperature distribution in the skin and superficial tissues which is based on a finite difference numerical solution of the one-dimensional multilayer coupled bioheat equation is presented. The model is used to investigate the influence of the values chosen to represent the physiological and thermal properties of the tissues on the skin surface temperature after contact with an external medium. It was found that the skin blood flow and dermal conductivity were the main cutaneous parameters which influence the contact response, but in terms of normalized temperature the response was little influenced by cutaneous metabolic heat generation and deep dermal temperature. For contact with a good conductor, the transient behaviour was sensitive to the heat transfer coefficient on the outer surface and the thickness of the contact material, but insensitive to the conductivity of the material.

Humans↗
PubMed2005

The porcine forelimb as a model for human flexor tendon surgery.

Technical skills have been shown to transfer very well from bench models to practical use. The central two rays of 30 forelimbs of pigs were dissected and anatomical observations were made. The rays contained deep and superficial flexor tendons enclosed in a fibro-osseous tunnel and these were present in all 60 specimens. The fibrous part of the tunnel had specific constant condensations in annular and oblique directions which were present in all 60 rays. The anatomy of the porcine forelimb digital flexor tendon system is sufficiently similar to the human system to be used as a model for surgeons wishing to master the technical aspects of zone II flexor tendon repair. This paper proposes the porcine forelimb as a bench model for zone II flexor tendon repair.

Animals↗
PubMedDate not supplied

Model of pCO2 gap during hypothermic cardiopulmonary bypass.

Perfusion adequacy during cardiopulmonary bypass is important in reducing postoperative morbidity. The pCO2 gap (defined as the difference between blood and tissue pCO2 levels) has been shown to be a sensitive measure of ischemia resulting from inadequate perfusion in pediatric patients undergoing deep hypothermic cardiac arrest. The complexity of measuring tissue pCO2 levels has motivated development of a mathematical model to provide an indirect indication of pCO2 gap. The model allows us to examine relations between tissue pCO2, plasma pCO2, and the rate of CO2 removal through the extracorporeal oxygenator. Three compartments have been modeled with CO2 generation and mass transfer coefficients estimated on the basis of published correlations with height and weight. Model predictions have been compared with oxygenator exhaust measurements taken during a hypothermic cardiac procedure. The model predicts carbon dioxide buildup in the tissues during hypothermia followed by equilibration with the blood on rewarming. The model appears to qualitatively predict CO2 removal rates observed during deep hypothermic cardiac arrest. Refinement and validation of the model may lead to a tool for predicting tissue pCO2 levels during and after hypothermic cardiopulmonary bypass.

Carbon Dioxide↗
PubMed2004

Aftershocks driven by a high-pressure CO2 source at depth.

In northern Italy in 1997, two earthquakes of magnitudes 5.7 and 6 (separated by nine hours) marked the beginning of a sequence that lasted more than 30 days, with thousands of aftershocks including four additional events with magnitudes between 5 and 6. This normal-faulting sequence is not well explained with models of elastic stress transfer, particularly the persistence of hanging-wall seismicity that included two events with magnitudes greater than 5. Here we show that this sequence may have been driven by a fluid pressure pulse generated from the coseismic release of a known deep source of trapped high-pressure carbon dioxide (CO2). We find a strong correlation between the high-pressure front and the aftershock hypocentres over a two-week period, using precise hypocentre locations and a simple model of nonlinear diffusion. The triggering amplitude (10-20 MPa) of the pressure pulse overwhelms the typical (0.1-0.2 MPa) range from stress changes in the usual stress triggering models. We propose that aftershocks of large earthquakes in such geologic environments may be driven by the coseismic release of trapped, high-pressure fluids propagating through damaged zones created by the mainshock. This may provide a link between earthquakes, aftershocks, crust/mantle degassing and earthquake-triggered large-scale fluid flow.

Journal Article↗
PubMed2005

Model study of coherent quantum dynamics of hole states in functionalized semiconductor nanostructures.

Functionalization of semiconductor nanocrystals can be achieved by anchoring organic ligands to the surface dangling bonds. The resulting surface complexes often introduce electronic states in the semiconductor band gap. These interband states sensitize the host material for photoabsorption at frequencies characteristic of the molecular adsorbates, leading to the well-known process of photoexcitation and subsequent femtosecond interfacial electron transfer. This paper investigates the relaxation dynamics of hole states, energetically localized deep in the semiconductor band gap, after the ultrafast electron-hole pair separation due to interfacial electron transfer. Mixed quantum-classical methods, based on mean-field nuclear dynamics approximated by ab initio density functional theory molecular dynamics simulations, reveal superexchange hole tunneling between adjacent adsorbate molecules in a model study of functionalized TiO2-anatase nanostructures. It is shown that electronic coherences can persist for hundreds of picoseconds under cryogenic and vacuum conditions, despite the partial intrinsic decoherence induced by thermal ionic motion, providing results of broad theoretical and experimental interest.

Journal Article↗
PubMed2005

The fate of dicationic states in molecular clusters of benzene and related compounds.

Calculations employing density functional theory indicate that, rather than undergoing fragmentation, dicationic clusters of benzene, hexafluorobenzene, and naphthalene produced by sequential one-electron or sudden double-ionization experiments on the neutrals can relax via the formation of inter-ring covalent C-C bonds, along with a series of proton transfers that enable a substantial reduction of inter- and intramolecular Coulomb repulsions. The theoretically predicted chemically bound structures correspond to deep local energy minima on the potential energy surface pertaining to the lowest electronic state of the dications and can therefore be regarded as metastable (kinetically long-lived) species. This discovery invalidates on theoretical grounds the liquid-droplet model of multiply charged clusters and sheds very unexpected light on possible consequences in chemistry of the intermolecular Coulombic decay (ICD) mechanism [Cederbaum, L. S.; et al. Phys. Rev. Lett. 1997, 79, 4778; Jahnke, T.; et al. Phys. Rev. Lett. 2004, 93, 163401] for deep inner-valence ionized states. Propagation of charge rearrangement reactions and proton transfers to several monomers may eventually lead to the formation of rather extended dicationic assemblies.

Journal Article↗
PubMed1987

Mathematical circulation model for the blood-flow-heat-loss relationship in the rat tail.

A mathematical model for the heat-loss-blood-flow relationship is developed for the rat tail. When supplied with experimental values of heat loss and blood flow, the model allows one to compute the distribution of flow in deep and cutaneous vessels as a function of body core and tail temperature and to determine the savings in heat loss that result from alterations in the pattern of circulation and from counter-current heat transfer. Blood flow in the cutaneous and deep lying veins of the tail is controlled by both central and local temperatures and increases fairly linearly with deep body temperature. However, the distribution of blood flow in the tail is controlled only by local tail temperature and is independent of deep body temperature. The change in venous distribution of flow has a great impact on the conservation of heat and can reduce the heat loss from the circulating blood by more than 50% when venous return is directed to deep lying veins. On the other hand, counter-current heat transfer is of only minor importance in the control of heat loss from the tail, resulting at most in a 10% saving of heat loss, and that only at the smallest rate of blood flow.

Animals↗
PubMed1985

Penetration of a cardiotoxin into cardiolipin model membranes and its implications on lipid organization.

The interaction of cardiotoxin II of Naja mossambica mossambica with cardiolipin model membranes was investigated by binding, fluorescence, resonance energy transfer, fluorescence quenching, 31P NMR, freeze-fracture, and small-angle X-ray experiments. An initially electrostatic binding appeared to be accompanied by a deep penetration, most likely into the acyl chain region of the phospholipids, indicating a hydrophobic contribution to the strong interaction (KD congruent to 5 X 10(-8) M). This binding results in a fusion of unilamellar vesicles as indicated by a fluorescence-based fusion assay, freeze-fracture, and X-ray diffraction. In these fused structures freeze-fracture electron microscopy reveals the appearance of particles, which is accompanied by the induction of an isotropic component in 31P NMR. The well-defined particles are interpreted as inverted micelles, and the localization of the cardiotoxin molecule in these structures is discussed.

Animals↗
PubMed1998

A method and device for measuring force transfers between the deep flexors in the musician's hand.

A device is presented to measure the range of independence, and the force transfers between the deep flexor tendons of different fingers. These force transfers result from the coactivation of the individual deep flexors, or the stretching of anatomical interconnections between the individual muscle bellies or tendons. In the quantification of the forces in the deep flexor end tendons, errors may occur due to (involuntary) forces in the extensors and superficial flexors. These errors are investigated by modelling the distal interphalangeal joint equilibrium equation, and illustrated by measuring results. They can be avoided by appropriate instrumental design, and proper finger positioning during measurement.

Biomechanical Phenomena↗
PubMed2002

[Numerical modeling of ultrasound thermotherapy].

In ultrasound thermotherapy (USTT) high intensity focused ultrasound (HIFU) is used for noninvasive thermal treatment of human tissue deep inside the body. In this paper a FDTD-model is presented to simulate USTT. It combines nonlinear ultrasound propagation and broadband tissue attenuation together with the bio-heat transfer equation for calculation of temperature distribution in tissue. The temperature dependence of parameters is integrated in the complete model. Simulation results demonstrate the potentialities of this simulation tool to analyze and optimize thermotherapy.

Body Temperature↗
PubMed1981

[Microwave hyperthermia: influence of blood flow and thermoregulation processes (author's transl)].

Various problems are encountered during production of local, deep-seated microwave hyperthermia, involving the technology of the irradiating system, and the complexity of heat transfer in living tissues. Before starting investigations on patients, preliminary studies were conducted on different models. Taking the influence of the blood flow into account, the thermal effects of microwaves were simulated on a numerical model, and a perfused phantom. These studies were completed by investigations in animals. The analysis of findings demonstrates that, in given conditions of irradiation, the temperature distribution is strongly dependent on blood flow. This means that the phantom models are only useful to evaluate the influence of the irradiation parameters and to develop and compare the generator-applicator systems, and that accurate planning of therapeutic trials requires in vivo studies on animals as well as on patients.

Animals↗
PubMed2000

Semi-automated 96-well liquid-liquid extraction for quantitation of drugs in biological fluids.

A semi-automated liquid-liquid extraction (LLE) technique for biological fluid sample preparation was introduced for the quantitation of four drugs in rat plasma. All liquid transferring during the sample preparation was automated using a Tomtec Quadra 96 Model 320 liquid handling robot, which processed up to 96 samples in parallel. The samples were either in 96-deep-well plate or tube-rack format. One plate of samples can be prepared in approximately 1.5 h, and the 96-well plate is directly compatible with the autosampler of an LC/MS system. Selection of organic solvents and recoveries are discussed. Also, precision, relative error, linearity and quantitation of the semi automated LLE method are estimated for four example drugs using LC/MS/MS with a multiple reaction monitoring (MRM) approach. The applicability of this method and future directions are evaluated.

Algorithms↗
PubMed2006

Analytic algorithms for determining radiative transfer optical properties of ocean waters.

A synthetic model for the scattering phase function is used to develop simple algebraic equations, valid for any water type, for evaluating the ratio of the backscattering to absorption coefficients of spatially uniform, very deep waters with data from upward and downward planar irradiances and the remotely sensed reflectance. The phase function is a variable combination of a forward-directed Dirac delta function plus isotropic scattering, which is an elementary model for strongly forward scattering such as that encountered in oceanic optics applications. The incident illumination at the surface is taken to be diffuse plus a collimated beam. The algorithms are compared with other analytic correlations that were previously derived from extensive numerical simulations, and they are also numerically tested with forward problem results computed with a modified FN method.

Journal Article↗
PubMed2004

Low reynolds number viscous flow in an alveolated duct.

Flow visualization studies and supplementary numerical simulations are carried out on slow flow through a model alveolated duct. The results reveal that the type of flow that develops in the alveoli, or cavities, is controlled by the ratio of the depth to the width of the cavity and by the ratio of cavity volume to duct volume. While weak, the slowly rotating flow in the cavity is thought to be important to the convective transport of heat and mass transfer to, or from, the walls of the cavity. The relevance of these finding to particle transport and deposition deep in the lung is discussed.

Animals↗
PubMed1984

Theoretical temperature distributions produced by an annular phased array-type system in CT-based patient models.

Theoretical calculations for the specific absorption rate (SAR) and the resulting temperature distributions produced by an annular phased array (APA)-type system are made. The finite element numerical method is used in the formulation of both the electromagnetic (EM) and thermal boundary value problems. A number of detailed two-dimensional patient models based on CT-scan data from the pelvic, visceral, and thoracic regions are generated to simulate a variety of tumor locations and surrounding normal tissues. The SAR values from the EM solution are put into the bioheat transfer equation, and steady-state temperature distributions are calculated for a wide range of blood flow rates. Based on our theoretical modeling, the APA shows no preferential heating of superficial over deep-seated tumors. However, in most cases for all three regions of the human trunk only fair thermal profiles (therapeutic area near 60%) are obtained in tumors with little or no blood flow and poor temperature patterns (therapeutic area less than 50%) are found in tumors with moderate to high perfusion rates. These theoretical calculations should aid the clinician in the evaluation of the effectiveness of APA-type devices in heating tumors located in the trunk region.

Humans↗
PubMed1983

Uniform regional heating of the lower trunk: numerical evaluation of tumor temperature distributions.

The temperature distributions in deep seated tumors resulting from uniform heating of the abdominal and pelvic regions of the trunk are predicted from a one dimensional numerical solution of the bio-heat transfer equation. The effect of tumor size and location are investigated for two tumor perfusion models: uniform perfusion and a concentric annulus perfusion model. Tumor temperature distributions are considered acceptable if the range of temperatures in the tumor lie between 42 degrees C and 60 degrees C. This range of tumor temperatures is defined as Tave +/- 2 sigma where sigma is the population standard deviation of tumor temperatures from the average computed at the nodal points in the finite difference array. To simulate practical clinical restrictions, muscle and fat temperatures are not allowed to exceed 44 degrees C, significant portions of the viscera are not allowed to exceed 42 degrees C, and the total absorbed power required to maintain steady state cannot exceed two kilowatts. Over 100 possible cases are presented in a compact form. From this study it appears that heating systems with power deposition patterns approximately uniform are promising for heating deep-seated tumors. Small, detectable tumors (approximately 2 cm in size) are adequately heated for a wider range of conditions than are larger tumors. Excessively high temperatures in deep-seated, normal tissue could be a significant limitation for this technique.

Abdominal Neoplasms↗