Effective Diffusion Research Articles

Quantitative analysis of mass transfer modes in alternate flow channel of proton exchange membrane fuel cell

To optimize the flow field structure of proton exchange membrane fuel cells (PEMFC) and enhance mass transfer capabilities, a novel flow field structure has been proposed, and the effects of oxygen diffusion and convection on the two transport modes have been quantitatively analyzed. Firstly, the paper designs a flow field structure with alternating channels and ribs to create a “mainstream-supporting flow” phenomenon, and establishes a three-dimensional two-phase numerical model of PEMFC. Secondly, the study explores the influence of the number of alternating structures on fuel cell performance. The research reveals that compared to traditional straight channels, when there is one alternating structure, the current density increases by 10.97 %. With the number of alternating structures increasing to four, the current density rises by 3.82 % compared to one alternating structure, reaching a power density of 0.5472 W·cm−2. In all cases of alternating structures, the oxygen diffusion flux remains consistent as the oxygen enters the diffusion layer from the channels, while the convective flux increases with the addition of alternating structures. Despite the gradual increase in convective flux at the interface between the channel and the diffusion layer, oxygen primarily undergoes diffusion for transportation, with diffusion flux accounting for over 60 % of the total flux. Thirdly, the study investigates the impact of the windward and leeward sides of the alternate structure on fuel cell performance. The results indicate that utilizing a combination of a horizontal acute-angled windward and leeward side results in the lowest pressure drop, while employing a vertical trapezoidal windward and leeward side combination enhances mass transfer capabilities more effectively.

Effects of copper on hydroxyapatite thin films by pulsed laser deposition on silicon

AbstractThis study deals with the effect of Cu on hydroxyapatite (HAp) thin films on silicon substrates prepared by pulsed laser deposition (PLD) technique for Cu concentrations ranging from 0 to 0.8 wt.%. Fourier transform infrared spectroscopy and Raman spectroscopy provide additional evidence of HAp in the films, which exhibit characteristic HAp bands such as the 960 cm−1 phosphate ion band. The X‐ray diffraction patterns confirm the presence of HAp, without copper‐related peaks, suggesting that it is not incorporated into the HAp lattice, which is present as an amorphous phase. X‐ray photoelectron spectroscopy confirms the presence of Cu on the HAp thin films, possibly related to the adsorption of Cu2+ on HAp surfaces through electrostatic or interactions with (PO4)3− groups. Atomic force microscopy shows that the roughness of the films varies depending on the presence or absence of copper ions. Finally, density functional theory and kinetic Monte Carlo simulations explain the effects of atomic diffusion on roughness and HAp clustering. These changes correlate with the contact angle values, indicating the formation of hydrophobic films due to copper inclusions.

Effect of diffusivity of amyloid beta monomers on the formation of senile plaques.

Alzheimer's disease (AD) presents a perplexing question: why does its development span decades, even though individual amyloid beta (Aβ) deposits (senile plaques) can form rapidly in as little as 24 hours, as recent publications suggest? This study investigated whether the formation of senile plaques can be limited by factors other than polymerization kinetics alone. Instead, their formation may be limited by the diffusion-driven supply of Aβ monomers, along with the rate at which the monomers are produced from amyloid precursor protein (APP) and the rate at which Aβ monomers undergo degradation. A mathematical model incorporating the nucleation and autocatalytic process (via the Finke-Watzky model), as well as Aβ monomer diffusion, was proposed. The obtained system of partial differential equations was solved numerically, and a simplified version was investigated analytically. The computational results predicted that it takes approximately 7 years for Aβ aggregates to reach a neurotoxic concentration of 50 μM. Additionally, a sensitivity analysis was performed to examine how the diffusivity of Aβ monomers and their production rate impact the concentration of Aβ aggregates.

Robust and accurate numerical framework for multi-dimensional fractional-order telegraph equations using Jacobi/Jacobi-Romanovski spectral technique

This paper presents a novel spectral algorithm for the numerical solution of multi-dimensional fractional-order telegraph equations, a critical model used to capture the combined effects of diffusion and wave propagation. The core innovation of this work is the application of Jacobi-Romanovski polynomials as the basis functions for spectral discretization. These polynomials offer unique advantages, including the ability to handle nonstandard domains and boundary conditions, making them particularly suitable for partial differential equation (PDE) applications. A comprehensive error analysis is conducted, providing deep insights into the convergence rates and factors affecting the accuracy of the numerical solutions. Extensive numerical experiments further demonstrate the superior performance of the proposed spectral algorithm in solving a wide range of multi-dimensional fractional-order telegraph equation models. The results show a significant improvement in accuracy and computational efficiency compared to traditional numerical methods, such as finite difference or finite element techniques. This research advances the field of computational science by offering a robust, efficient, and versatile numerical framework for the precise solution of complex multi-dimensional PDEs.

Pore-Scale Simulation of Deep Shale Gas Flow Considering the Dual-Site Langmuir Adsorption Model Based on the Pore Network Model.

As a key resource in the oil and gas sector, shale gas development profoundly influences the advancement of the global energy industry. Deep shale gas reservoirs, typically found at depths exceeding 3500 m, represent a significant portion of total shale gas reserves. Currently, pore network models primarily simulate middle and shallow shale gas, insufficiently addressing the unique challenges posed by high-temperature and high-pressure conditions in deep shale gas formations. There is an urgent need to explore the microscale flow dynamics of deep shale gas. In this work, we use the pore network model to simulate the flow dynamics of deep shale gas, particularly under nanoconfinement conditions. The simulation integrates adsorption, slip flow, Knudsen diffusion, and bulk flow phenomena. Utilizing the dual-site Langmuir adsorption model tailored for high-temperature and high-pressure conditions enhances the accuracy of gas conductivity calculations for the adsorbed phase, thereby reflecting the specific characteristics of deep shale gas reservoirs. Moreover, this research investigates the flow characteristics of deep shale gas under varying sensitivity parameters, such as water saturation, temperature, and pressure. It explores methane flow dynamics, focusing on effective diffusion coefficients and permeability. The modified approach to calculating adsorption phase conductivity using the dual-site Langmuir adsorption model accurately captures the adsorption behaviors and characteristics of deep shale gas reservoirs.

Effect of molybdenum addition on precipitate coarsening kinetics in Inconel 740H: A phase-field study

Inconel 740H (IN740H) has emerged as an important candidate for the advanced ultra-supercritical (AUSC) steam turbines due to its superior microstructural stability and creep resistance under service conditions. In the present work, we have reparameterized a multicomponent Ni-based superalloy (IN740H) into an equivalent ternary Ni-Al-Mo superalloy, based on the partitioning coefficients of the elements, using the thermodynamic database (CALPHAD). We use this thermodynamic description to employ a quantitative phase-field model to assess the long-term stability of γ′ precipitates in IN740H utilizing GPU-based supercomputing architecture. The assessment helps us to enhance our understanding of the effect of the atomic diffusivity of Mo on coarsening kinetics of the γ′-precipitates in equivalent ternary Ni-Al-Mo superalloy. Investigation reveals that our phase-field model can accurately predict the experimentally observed coarsening kinetics in IN740H.

Assessment of a LPG hybrid solar dryer assisted with smart air circulation system for drying basil leaves

The fluctuation of solar radiation throughout the day presents a significant obstacle to the widespread adoption of solar dryers for the dehydration of agricultural products, particularly those that are sensitive to high temperatures, such as basil leaf drying during the winter season. Consequently, this recent study sought to address the limitations of solar-powered dryers by implementing a hybrid drying system that harnesses both solar energy and liquid petroleum gas (LPG). Furthermore, an innovative automatic electronic unit was integrated to facilitate the circulation of air between the drying chamber and the ambient environment. Considering the solar radiation status in Egypt, an LPG hybrid solar dryer has been developed to be suitable for both sunny and cloudy weather conditions. This hybrid solar dryer (HSD) uses indirect forced convection and a controlled auxiliary heating system (LPG) to regulate both temperature and relative humidity, resulting in increased drying rates, reduced energy consumption, and the production of high-quality dried products. The HSD was tested and evaluated for drying basil leaves at three different temperatures of50, 55, and 60 °C and three air changing rates of 70, 80, and 90%, during both summer and winter sessions. The obtained results showed that drying basil at a temperature of 60 °C and an air changing rate of 90% led to a decrease in the drying time by about 35.71% and 35.56% in summer and winter, respectively, where summer drying took 135–210 min and winter drying took 145–225 min to reach equilibrium moisture content (MC). Additionally, the effective moisture diffusivity ranged from 5.25 to 9.06 × 10− 9 m2/s, where higher values of effective moisture diffusivity (EMD) were increased with increasing both drying temperatures and air change rates. Furthermore, the activation energy decreased from 16.557 to 25.182 kJ/mol to 1.945–15.366 kJ/mol for the winter and summer sessions, respectively. On the other hand, the analysis of thin-layer kinetic showed that the Modified Midilli II model has a higher coefficient of determination R2, the lowest χ2, and the lowest root mean square error (RMSE) compared to the other models of both winter and summer sessions. Finally, the LPG hybrid solar dryer can be used for drying a wide range of agricultural products, and it is more efficient for drying medicinal plants. This innovative dryer utilizes a combination of LPG and solar energy, making it efficient and environmentally friendly.

Kinetic study of paraquat adsorption on alginate beads loaded with montmorillonite using shrinking core model

Water contamination by pesticides threatens clean water availability, highlighting the need for advanced sustainable sanitation systems. Adsorption using biopolymers and minerals is prominent. Understanding process kinetics and influencing parameters is crucial for optimizing contaminant-adsorbent contact time for safe water disposal. The adsorption kinetics of Paraquat (PQ) at three initial concentrations (C0 = 19, 38, and 50 ppm) were studied using alginate-montmorillonite (Alg-Mt) beads with varying clay contents and a 30-min gelation time. The beads were characterized by elemental analysis, TG/DTG, FTIR, XRD, SEM, and EDX. The Shrinking Core Model (SCM) was applied to the experimental data to determine if the diffusion of PQ within the beads depended on clay content. The effective diffusion coefficient (Dp) in the adsorbent increased from 7 × 10−12 to 1 × 10−10 m2 s−1 with increasing clay content, suggesting that diffusion into the interior depended on interaction with the mineral.This investigation also demonstrated that the synthesis of beads at different gelation times does not impact either the adsorption capacity or the adsorption rate of the herbicide on the materials. These results indicate that diffusion depends solely on the interaction of the cationic herbicide with the clay encapsulated within the bead hydrogel.

Understanding the correlation of aging treatments and stress corrosion crack growth of a secondary hardening ultra-high strength steel

The correlation of aging treatments and stress corrosion crack growth of a secondary hardening ultra-high strength steel was investigated using microstructural characterization, electrochemical hydrogen penetration experiment, thermal desorption spectroscopy analysis, and stress corrosion crack growth test. The results showed that increase of aging duration led to slight increase in the fraction of reversed austenite but decrease in dislocation density while no notable variation in grain boundary misorientation distribution and the corrosion behavior was observed. The shrinkage and fracture toughness continued to increase with aging duration while the yield strength reaching a maximum value after 5 hours of aging. Longer aging durations led to the decrease in effective hydrogen diffusion coefficient but improvement of stress corrosion cracking resistance, mainly due to the coarsening and nucleation of M2C carbides, as well as the higher fraction of reversed austenite. This work provided the theoretical and technical basis for improving the stress corrosion cracking resistance of this steel.

Effective diffusion along the backbone of combs with finite-span 1D and 2D fingers.

Diffusion in complex heterogeneous media, such as biological tissues or porous materials, typically involves constrained displacements in tortuous structures and sticky environments. Therefore, diffusing particles experience both entropic (excluded-volume) forces and the presence of complex energy landscapes. In this situation, one may describe transport through an effective diffusion coefficient. In this paper, we examine comb structures with finite-length 1D and finite-area 2D fingers, which act as purely diffusive traps. We find that there exists a critical width of 2D fingers, above which the effective diffusion along the backbone is faster than for an equivalent arrangement of 1D fingers. Moreover, we show that the effective diffusion coefficient is described by a general analytical form for both 1D and 2D fingers, provided the correct scaling variable is identified as a function of the structural parameters. Interestingly, this formula corresponds to the well-known general situation of diffusion in a medium with fast reversible adsorption. Finally, we show that the same formula describes diffusion in the presence of dilute potential energy traps, e.g., through a landscape of square wells. While diffusion is ultimately always the result of microscopic interactions (with particles in the fluid, other solutes, and the environment), effective representations are often of great practical use. The results reported in this paper help clarify the microscopic origins and the applicability of global, integrated descriptions of diffusion in complex media.

Hydrogen diffusion and trapping in a cryogenic processed high-Cr ferrous alloy

The effect of hydrogen diffusion and trapping was studied in a high-Cr ferrous alloy using an inverted scanning Kelvin probe and thermal desorption spectroscopy in correlation with microstructure and residual stress study. In addition, different processing of ferritic/martensitic 9Cr1WTaV alloy (EUROFER97) was tested in correlation with observed selected properties to observe induced changes in material degradation and surface. The activation energies for hydrogen traps were shown to have distinct peaks corresponding to different trapping mechanisms, including matrix dislocations and grain boundaries. For the cryogenically treated sample, an additional peak was also identified and correlated with increased carbide precipitation.

Note on the diffusive prey-predator model with variable coefficients and degenerate diffusion

It is of interest to understand effects of variable coefficients and degenerate diffusion on the longtime behaviors of solutions of reaction diffusion equations. Recently, Yang and Yao (2024) studied a classical prey-predator model and proved that the degradation of the diffusion coefficient of the prey and variable coefficients satisfying the appropriate conditions will not affect dynamical properties. In this note we shall simplify the proof of Yang and Yao (2024) and delete the condition (4).

Techno-Economic Analysis of a Carbon Molecular Sieve-Based Xylene Isomer Purification Process.

The separation and purification of xylene isomers is critical to the production of polyethylene terephthalate (PET). These separations are complex to operate and demand tremendous amounts of energy and thus are an opportunity for reducing industrial energy consumption. Membranes provide a low-energy footprint technology with simpler operation, and recently, membrane materials have been developed that are capable of separating xylene isomers. While these materials have demonstrated the ability to separate xylenes, they have yet to be commercially deployed. This work conducts a techno-economic analysis (TEA) to provide insight on the commercial attractiveness of a p-xylene selective carbon molecular sieve (CMS) membrane from both a cost and energy standpoint. This TEA was conducted through the pairing of a Maxwell-Stefan transport framework for rigid microporous materials with process modeling. Single-stage organic solvent reverse osmosis (OSRO) and pervaporation processes were used to evaluate the effects of recovery, selectivity, and diffusivity on the energy intensity and cost of the xylene separation. The final analysis used two systems, a single pervaporation stage followed by two OSRO stages, which was compared against a three-stage OSRO cascade. These were benchmarked against the commercial Parex process. We estimate that the membrane processes have the potential to enable impressive cost savings compared to the Parex process. While both systems outperformed the Parex process in terms of cost, the pervaporation/OSRO hybrid process was able to achieve the lowest cost of all due to its reduced membrane surface area compared to standalone OSRO. These findings demonstrate the potential of membrane systems in the field of difficult small molecule solvent separations.

Maxwell–Cattaneo double-diffusive convection of Kuvshiniski viscoelastic nanofluid in a Brinkman–Darcy porous medium

Abstract This study examines the stability of double-diffusive convection in a Kuvshiniski viscoelastic nanofluid, in which the fluid is affected by two fields (such as temperature and salinity) that influence its density. The classical Fick’s law, which assumes an immediate response of temperature to the heat flux gradient, is not entirely correct because it suggests an instantaneous reaction at all points, which is not entirely accurate since information propagates at a finite speed. This shortcoming of Fick’s law leads us to consider the Maxwell–Cattaneo effect (MC effect). Thus, our research focuses on Maxwell–Cattaneo double-diffusive convection in a horizontal layer of a porous medium saturated with viscoelastic nanofluid. Here, the fluid’s small dimensions result in its relaxation time being comparable to its thermal diffusion time, necessitating the use of the Maxwell–Cattaneo relationship. The behavior of viscoelastic nanofluids is described by a constitutive equation of the Kuvshiniski kind, and for the porous medium, Brinkman–Darcy model is considered. The nanofluid model includes the effects of Brownian diffusion and thermophoresis, with the assumption that the flux of the nanoparticle volume fraction is zero at the isothermal boundaries. The framework of linear and nonlinear stability theory leads the analysis. By applying linear stability theory with the help of normal mode technique, the conditions for the occurrence of both stationary and oscillatory convective motions are found in terms of a critical thermal Rayleigh number. The Kuvshiniski viscoelastic fluid exhibits Newtonian behavior in a state of stationary convection. We have discussed two cases for oscillatory convection that are when (i) Maxwell–Cattaneo coefficient for temperature (C T ) = 0 and (ii) Maxwell–Cattaneo coefficient for salinity (C C ) = 0. Convective heat and mass transfers are determined using a weakly nonlinear stability analysis. The effects of various factors on oscillatory and stationary states as well as the mass and heat transport are depicted graphically. It is found that with increase in the value of Kuvshiniski parameter F, thermal Rayleigh number Ra also increases for both cases C T = 0 and C C = 0. Ra drops with increasing values of modified diffusivity ratio N A and thermosolutal Lewis number Ls for both stationary as well as oscillatory convection. With increase in the value of Darcy number Da, an interesting pattern can be seen. For stationary convection, Ra increases with Da, but it has reverse effect on oscillatory convection (for both the cases). Streamlines, isotherms, and isohalines are also examined.

Regional differences and catch-up analysis of energy efficiency in China’s manufacturing industry under environmental constraints

For coordinated regional growth and the development of high-quality manufacturing, China must narrow its regional energy efficiency gap and catch up inter-regionally. This paper focuses on whether China’s inter-provincial manufacturing energy efficiency has technological diffusion and a catch-up effect and explores its possible influencing factors, which are important for narrowing the differences in China’s manufacturing energy efficiency and promoting the improvement of the overall level of efficiency. Between 2011 and 2020, 30 Chinese manufacturing industries will be evaluated using a non-radial distance function model under environmental conditions. By employing the Dagum Gini coefficient method, regional disparities were analyzed, with hyper-variable density and efficiency discrepancies between regions making a noteworthy contribution. This paper evaluated a catch-up effect by constructing a frontier productivity model that considered the influence of China’s manufacturing energy efficiency. Results show a general rise in energy efficiency, particularly in coastal regions, higher than inland ones. The Gini coefficient of energy efficiency in manufacturing experienced a slight increase; however, when comparing it to the regional efficiency frontier, the catch-up effect and technology diffusion effect of China’s provincial manufacturing energy efficiency become more pronounced when taking into account the national efficiency frontier; the sub-regional manufacturing energy efficiency catch-up effect has different performances; the catch-up and technology diffusion effect is more evident after controlling for Economic development, innovation levels, the environmental regulation, and the proportion of high-energy-consumption output value and other influencing factors.

Nonlinear effects of partitioning and diffusion limitation on the efficiency of three-layer enzyme bioreactors and potentiometric biosensors

The nonlinear effects of the partitioning and diffusion limitation on the efficiency of enzyme-based bioreactors and potentiometric biosensors are investigated analytically and numerically using a three-layer mathematical model involving the Michaelis–Menten type reaction in the transient and steady states. Analytical expressions of the steady state substrate and reaction product concentrations and the bioreactor effectiveness as well as biosensor output potential are presented for the first and zero-order reaction rates. Mathematical modelling of the diffusion limiting membrane and the conditions under which the same values of the steady state characteristics are obtained when simulating the treated system at different values of the diffusion and distribution coefficients are investigated. The effective diffusion coefficients in the total diffusion layer consisting of the diffusion limiting membrane and the outer diffusion (Nernst) layer are applied to reduce the three-layer model to the corresponding two-layer model. The dynamics and behaviour of the substrate consumption rate, product emission rate, effectiveness factor and the output potential are numerically investigated.

Efficient and broadband sound absorption properties of slotted aluminum foam

To enhance the sound absorption performance of aluminum foam, a slotted structure was developed. Firstly, the theoretical model of sound absorption for the slotted aluminum foam was established by the transfer matrix method. Secondly, the finite element model was established using COMSOL software to predict the sound absorption coefficient. The reliability of the theoretical and finite element models was validated through impedance tube experiments. The sound absorption mechanism is investigated by analyzing the internal sound field. Finally, the sound absorption properties of aluminum foam with other slot patterns are investigated. Additionally, the factors that influence sound absorption properties are investigated. The results indicate that the slots alter the sound pressure distribution within the material, inducing a pressure diffusion effect. When sound waves enter the interior of the material through the narrow slots, they are absorbed and dissipated by the matrix material on the sides of the slots. The sound absorption coefficient can be improved by increasing the thickness, slot scale, and slot depth of the slotted aluminum foam. Specifically, when the slot depth is 15 mm, and the slot width is 5 mm, the average sound absorption coefficient of incompletely slotted aluminum foam in the frequency range of 1000 ∼ 6300 Hz is 0.86, which can realize broadband sound absorption. With the increase of slot depth, the sound absorption peak becomes more pronounced.

Coupling relationship and development patterns of agricultural emission reduction, carbon sequestration, and food security

In-depth exploration of the coupling relationship between agricultural emission reduction and carbon sequestration (ERCS) and food security provides an important basis for promoting sustainable low-carbon development in agriculture. This research investigates the coupling mechanisms and the current state of coordinated development of agricultural ERCS and food security using provincial panel data from 2001 to 2022 in China. The agricultural ERCS level shows an upward trend, with higher levels in the north and lower in the south; externalities are positive in the north but negative in the south. Significant dynamic interactions and spatial correlations between the agricultural ERCS and food security exist, with a local spatial agglomeration pattern of “north–south opposition”. Areas of high-high agglomeration are mainly concentrated in the north, while low-low agglomeration areas are primarily in the south. High-high agglomeration areas drive growth in transitional and low-growth areas through diffusion effects. The average coupling coordination degree of provinces increased from 0.432 to 0.473, indicating more coordinated development, and with a decreasing polarization trend. The spatial distributions of the coupling coordination degree and the relative development index are higher in the north and lower in the south, with many areas showing high adjustment, low adjustment, and high antagonism, particularly in the south where the number of high antagonistic areas has decreased. Implementing differentiated development strategies between the north and the south, using spatial agglomeration characteristics to optimize regional policies, focusing on the diffusion effects of high-coupling coordination areas to drive the development of low-growth and transitional areas, and enhancing the lagged terms can promote sustainable coordinated agricultural development.

Assessing tumor microstructure with time-dependent diffusion imaging: Considerations and feasibility on clinical MRI and MRI-Linac.

Quantitative imaging biomarkers (QIBs) can characterize tumor heterogeneity and provide information for biological guidance in radiotherapy (RT). Time-dependent diffusion MRI (TDD-MRI) derived parameters are promising QIBs, as they describe tissue microstructure with more specificity than traditional diffusion-weighted MRI (DW-MRI). Specifically, TDD-MRI can provide information about both restricted diffusion and diffusional exchange, which are the two time-dependent effects affecting diffusion in tissue, and relevant in tumors. However, exhaustive modeling of both effects can require long acquisitions and complex model fitting. Furthermore, several introduced TDD-MRI measurements can require high gradient strengths and/or complex gradient waveforms that are possibly not available in RT settings. In this study, we investigated the feasibility of a simple analysis framework for the detection of restricted diffusion and diffusional exchange effects in the TDD-MRI signal. To promote the clinical applicability, we use standard gradient waveforms on a conventional 1.5 T MRI system with moderate gradient strength (Gmax=45 mT/m), and on a hybrid 1.5 T MRI-Linac system with low gradient strength (Gmax=15 mT/m). Restricted diffusion and diffusional exchange were simulated in geometries mimicking tumor microstructure to investigate the DW-MRI signal behavior and to determine optimal experimental parameters. TDD-MRI was implemented using pulsed field gradient spin echo with the optimized parameters on a conventional MRI system and a MRI-Linac. Experiments in green asparagus and 10 patients with brain lesions were performed to evaluate the time-dependent diffusion (TDD) contrast in the source DW-images. Simulations demonstrated how the TDD contrast was able to differentiate only dominating diffusional exchange in smaller cells from dominating restricted diffusion in larger cells. The maximal TDD contrast in simulations with typical cancer cell sizes and in asparagus measurements exceeded 5% on the conventional MRI but remained below 5% on the MRI-Linac. In particular, the simulated TDD contrast in typical cancer cell sizes (r=5-10µm) remained below or around 2% with the MRI-Linac gradient strength. In patients measured with the conventional MRI, we found sub-regions reflecting either dominating restricted diffusion or dominating diffusional exchange in and around brain lesions compared to the noisy appearing white matter. On the conventional MRI system, the TDD contrast maps showed consistent tumor sub-regions indicating different dominating TDD effects, potentially providing information on the spatial tumor heterogeneity. On the MRI-Linac, the available TDD contrast measured in asparagus showed the same trends as with the conventional MRI but remained close to typical measurement noise levels when simulated in common cancer cell sizes. On conventional MRI systems with moderate gradient strengths, the TDD contrast could potentially be used as a tool to identify which time-dependent effects to include when choosing a biophysical model for more specific tumor characterization.

Impact of bacterial outer membrane and general porins on cyanide diffusion and biodegradation kinetics

The present study focuses on the analysis of the diffusion process of various cyanide compounds through general porins and outer membranes of gram-negative bacteria. We demonstrate the impact of the compound-to-porin radius ratio, the charge of cyanide ion, the Donnan potential, the intrinsic porin potential, the number and length of general porins, the fraction of open channels, and the size of bacteria on the effective diffusion coefficients and permeability coefficients of cyanide compounds. Moreover, we report, for the first time, the procedure for comparison of the rate of cyanide diffusion across the outer membrane with the rate of cyanide biodegradation that allows establishing the conditions for which the biodegradation is a diffusion-limited process or the diffusion is a significantly faster process than biodegradation. We apply this procedure to several experimental studies and predict the range of extracellular cyanide concentrations for which diffusion is a significantly faster process than biodegradation. We also demonstrate how these results affect the theoretical view of the cyanide biodegradation kinetics.