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GaN/AlxGa1−xN quantum wells were grown by molecular beam epitaxy on high quality bulk (0001) GaN substrates. The quantum well thickness was set in the 6–8 nm range to favor the photoluminescence emission of indirect excitons. Indeed, such excitons are known to be spatially indirect due to the presence of the internal electric field which spatially separates the electron and hole wave functions. The growth conditions were optimized in view of minimizing the photoluminescence peak broadening. In particular, the impact of growth temperature (up to 900 °C) on the surface morphology, structural, and photoluminescence properties was studied. The diffusion of indirect excitons on the scale of tens of micrometers was measured with a micro-photoluminescence setup equipped with a spatially resolved detection. A dedicated model and its analysis allow us to extract from these measurements the exciton diffusion constant and to conclude on the optimum growth conditions for the GaN/AlxGa1−xN quantum well structures suited for studies of quantum collective effects in indirect exciton liquids. [ABSTRACT FROM AUTHOR]

Enzymes accelerate the rates of biomolecular reactions by many orders of magnitude compared to bulk solution, and it is widely understood that this catalytic effect arises from a combination of polar pre-organization and electrostatic transition state stabilization. A number of recent reports have also implicated ultrafast (femtosecond-picosecond) timescale motions in enzymatic activity. However, complications arising from spatially-distributed disorder, the occurrence of multiple substrate binding modes, and the influence of hydration dynamics on solvent-exposed active sites still confound many experimental studies. Here we use ultrafast two-dimensional infrared (2D IR) spectroscopy and covalently-tethered substrate analogs to examine dynamical properties of the promiscuous Pyrococcus horikoshii ene-reductase (PhENR) active site in two binding configurations mimicking proposed "inactive" and "reactive" Michaelis complexes. Spectral diffusion measurements of aryl-nitrile substrate analogs reveal an end-to-end tradeoff between fast (sub-ps) and slow (>5 ps) motions. Fermi resonant aryl-azide analogs that sense interactions of coupled oscillators are described. Lineshape and quantum beat analyses of these probes reveal characteristics that correlate with aryl-nitrile frequency fluctuation correlation functions parameters, demonstrating that this anisotropy is an intrinsic property of the water-exposed active site, where countervailing gradients of fast dynamics and disorder in the reactant ground state are maintained near the hydration interface. Our results suggest several plausible factors leading to state-selective rate enhancement and promiscuity in PhENR. This study also highlights a strategy to detect perturbations to vibrational modes outside the transparent window of the mid-IR spectrum, which may be extended to other macromolecular systems. [ABSTRACT FROM AUTHOR]

This document is a reply to a previous article by Brandani et al. regarding diffusion anomalies in nanopores. The authors of this reply provide a comprehensive response to the points raised by Brandani et al. They discuss the limitations of the dual-resistance model (DRM) in decoupling surface barriers and intracrystalline diffusion based on theoretical analysis. The authors also present their own experimental data and calculations to support their findings. They acknowledge the challenges in comparing experimental results with molecular dynamics simulations and express gratitude for the funding and support received for their work. [Extracted from the article]

In this paper, the problem of estimating a scalar field (e.g., the spatial distribution of contaminants in an area) using a sensor network is considered. The sensors are assumed to have quantized measurements. We consider distributed estimation algorithms where each sensor forms its own estimate of the field, with sensors able to share information locally with its neighbours. Two schemes are proposed, called, respectively, measurement diffusion and estimate diffusion. In the measurement diffusion scheme, each sensor broadcasts to its neighbours the latest received measurements of every sensor in the network, while in the estimate diffusion scheme, each sensor will broadcast local estimates and Hessians to its neighbours. Information received from its neighbours will then be iteratively combined at each sensor to form the field estimates. Time-varying scalar fields can also be estimated using both the measurement diffusion and estimate diffusion schemes. Numerical studies illustrate the performance of the proposed algorithms, in particular demonstrating steady state performance close to that of centralized estimation. [ABSTRACT FROM AUTHOR]

Excess CO2 accumulated in soils is typically transported to the atmosphere through molecular diffusion along a concentration gradient. Because of the slow and constant nature of this process, a steady state between peat CO2 production and emissions is often established. However, in peatland ecosystems, high peat porosity could foster additional non-diffusive transport processes, whose dynamics may become important to peat CO2 storage, transport and emission. Based on a continuous record of in situ peat pore CO2 concentration within the unsaturated zone of a raised bog in southern Canada, we show that changes in wind speed create large diel fluctuations in peat pore CO2 store. Peat CO2 builds up overnight and is regularly flushed out the following morning. Persistently high wind speed during the day maintains the peat CO2 with concentrations close to that of the ambient air. At night, wind speed decreases and CO2 production overtakes the transport rate leading to the accumulation of CO2 in the peat. Our results indicate that the effective diffusion coefficient fluctuates based on wind speed and generally exceeds the estimated molecular diffusion coefficient. The balance between peat CO2 accumulation and transport is most dynamic within the range of 0–2 m s−1 wind speeds, which occurs over 75% of the growing season and dominates night-time measurements. Wind therefore drives considerable temporal dynamics in peat CO2 transport and storage, particularly over sub-daily timescales, such that peat CO2 emissions can only be directly related to biological production over longer timescales. [ABSTRACT FROM AUTHOR]

Mass diffusion coefficient measurement techniques with high temporal and spatial resolution have become essential for the research and development of leading-edge technology in a wide range of cross-disciplinary fields, but cannot be achieved using conventional methods. We provide a comprehensive review of the state-of-the-art theoretical and experimental investigations on Soret forced Rayleigh scattering (SFRS), a grating excitation technique (GET) for measuring the mass diffusion coefficient of binary liquid mixtures. SFRS utilizes the Soret effect to create micrometer-order periodic spatial concentration modulation in a sample due to the absorption of an optical interference grating generated by two intersecting heating laser beams. The decay of the concentration modulation by the mass diffusion process within several milliseconds is detected by the diffraction of a probing beam. The theoretical considerations regarding deviations from the ideal mass diffusion conditions are the effects of: (1) the Gaussian beam intensity distribution, (2) the light absorbing material and (3) the cell wall. The proper settings for the optical system are also analyzed, e.g., the effect of coherency and polarization of the heating laser and the effect of the z-direction length of the interference region. We also consider the frame of reference, center of gravity invariance and effect of convection, which are particularly important for mass diffusion experiments. Using the correct implementation of the theory, the optimal SFRS apparatus design and its appropriate use are described in detail. Finally, two successful applications of SFRS are demonstrated using visible light laser heating and mid-wavelength infrared gas laser heating. [ABSTRACT FROM AUTHOR]

Magnetic susceptibility imaging may provide valuable information about chemical composition and microstructural organization of tissue. However, its estimation from the MRI signal phase is particularly difficult as it is sensitive to magnetic tissue properties ranging from the molecular to the macroscopic scale. The MRI Larmor frequency shift measured in white matter (WM) tissue depends on the myelinated axons and other magnetizable sources such as iron‐filled ferritin. We have previously derived the Larmor frequency shift arising from a dense medium of cylinders with scalar susceptibility and arbitrary orientation dispersion. Here, we extend our model to include microscopic WM susceptibility anisotropy as well as spherical inclusions with scalar susceptibility to represent subcellular structures, biologically stored iron, and so forth. We validate our analytical results with computer simulations and investigate the feasibility of estimating susceptibility using simple iterative linear least squares without regularization or preconditioning. This is done in a digital brain phantom synthesized from diffusion MRI measurements of an ex vivo mouse brain at ultra‐high field. [ABSTRACT FROM AUTHOR]

Purpose: To evaluate the use of pre‐excitation gradients for eddy current–nulled convex optimized diffusion encoding (Pre‐ENCODE) to mitigate eddy current–induced image distortions in diffusion‐weighted MRI (DWI). Methods: DWI sequences using monopolar (MONO), ENCODE, and Pre‐ENCODE were evaluated in terms of the minimum achievable echo time (TE min$$ {}_{\mathrm{min}} $$) and eddy current‐induced image distortions using simulations, phantom experiments, and in vivo DWI in volunteers (N=6$$ N=6 $$). Results: Pre‐ENCODE provided a shorter TE min$$ {}_{\mathrm{min}} $$ than MONO (71.0 ±$$ \pm $$ 17.7ms vs. 77.6 ±$$ \pm $$ 22.9ms) and ENCODE (71.0 ±$$ \pm $$ 17.7ms vs. 86.2 ±$$ \pm $$ 14.2ms) in 100%$$ \% $$ of the simulated cases for a commercial 3T MRI system with b‐values ranging from 500 to 3000 s/mm 2$$ {}^2 $$ and in‐plane spatial resolutions ranging from 1.0 to 3.0mm 2$$ {}^2 $$. Image distortion was estimated by intravoxel signal variance between diffusion encoding directions near the phantom edges and was significantly lower with Pre‐ENCODE than with MONO (10.1%$$ \% $$ vs. 22.7%$$ \% $$, p=6−5$$ p={6}^{-5} $$) and comparable to ENCODE (10.1%$$ \% $$ vs. 10.4%$$ \% $$, p=0.12$$ p=0.12 $$). In vivo measurements of apparent diffusion coefficients were similar in global brain pixels (0.37 [0.28,1.45]×10−3$$ \times 1{0}^{-3} $$ mm 2$$ {}^2 $$/s vs. 0.38 [0.28,1.45]×10−3$$ \times 1{0}^{-3} $$mm 2$$ {}^2 $$/s, p=0.25$$ p=0.25 $$) and increased in edge brain pixels (0.80 [0.17,1.49]×10−3$$ \times 1{0}^{-3} $$ mm 2$$ {}^2 $$/s vs. 0.70 [0.18,1.48]×10−3$$ \times 1{0}^{-3} $$mm 2$$ {}^2 $$/s, p=0.02$$ p=0.02 $$) for MONO compared to Pre‐ENCODE. Conclusion: Pre‐ENCODE mitigated eddy current–induced image distortions for diffusion imaging with a shorter TE min$$ {}_{\mathrm{min}} $$ than MONO and ENCODE. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: The problem of molecular diffusion in the soup of chemical reactions attracts mounting interest across fields ranging from chemistry to biophysics to material science. Chemical reactions involve bond breakup and formation, whose time scale is typically on the orders of fs to ps, while molecular diffusion occurs at time scales of μs to ms. The two processes are often considered orthogonal, given the vastly different scales. The serial results show that the enzyme's diffusion is enhanced in a substrate‐dependent manner, which was further extended to small molecule reaction systems, challenging this classical paradigm. However, the results from different groups using different techniques do not quantitatively agree, and a general mechanism is yet to be understood. We summarize experimental studies on diffusion problems and seek to reconcile the interpretation with understanding the limits of measurement tools and the chemical nature of reaction systems. Understanding molecular diffusion in chemical reactions will provide fresh thoughts in designing chemical systems such as molecular machines that harvest work at the nanoscale in a controllable manner. [ABSTRACT FROM AUTHOR]

Background: Diffusing alpha‐emitters radiation therapy ("Alpha‐DaRT") is a new method for treating solid tumors with alpha particles, relying on the release of the short‐lived alpha‐emitting daughter atoms of radium‐224 from interstitial sources inserted into the tumor. Alpha‐DaRT tumor dosimetry is governed by the spread of radium's progeny around the source, as described by an approximate framework called the "diffusion‐leakage model". The most important model parameters are the diffusion lengths of radon‐220 and lead‐212, and their estimation is therefore essential for treatment planning. Purpose: Previous works have provided initial estimates for the dominant diffusion length, by measuring the activity spread inside mice‐borne tumors several days after the insertion of an Alpha‐DaRT source. The measurements, taken when lead‐212 was in secular equilibrium with radium‐224, were interpreted as representing the lead‐212 diffusion length. The aim of this work is to provide first experimental estimates for the diffusion length of radon‐220, using a new methodology. Methods: The diffusion length of radon‐220 was estimated from autoradiography measurements of histological sections taken from 24 mice‐borne subcutaneous tumors of five different types. Unlike previous studies, the source dwell time inside the tumor was limited to 30 min, to prevent the buildup of lead‐212. To investigate the contribution of potential non‐diffusive processes, experiments were done in two sets: fourteen in vivo tumors, where during the treatment the tumors were still carried by the mice with active blood supply, and 10 ex‐vivo tumors, where the tumors were excised before source insertion and kept in a medium at 37∘C$37^\circ {\text{C}}$ with the source inside. Results: The measured diffusion lengths of radon‐220, extracted by fitting the recorded activity pattern up to 1.5 mm from the source, lie in the range 0.25−0.6mm${0.25-0.6}\nobreakspace {\text{mm}}$, with no significant difference between the average values measured in in‐vivo and ex‐vivo tumors: LRnin−vivo=0.40±0.08mm$L_{Rn}^{in-vivo}=0.40{\pm }0.08\nobreakspace {\text{mm}}$ versus LRnex−vivo=0.39±0.07mm$L_{Rn}^{ex-vivo}=0.39{\pm }0.07\nobreakspace {\text{mm}}$. However, in‐vivo tumors display an enhanced spread of activity 2–3 mm away from the source. This effect is not explained by the current model and is much less pronounced in ex‐vivo tumors. Conclusions: The average measured radon‐220 diffusion lengths in both in‐vivo and ex‐vivo tumors are consistent with published data on the diffusion length of radon in water and lie close to the upper limit of the previously estimated range of 0.2−0.4mm$0.2-0.4\nobreakspace {\text{mm}}$. The observation that close to the source there is no apparent difference between in‐vivo and ex‐vivo tumors, and the good agreement with the theoretical model in this region suggest that the spread of radon‐220 is predominantly diffusive in this region. The departure from the model prediction in in‐vivo tumors at large radial distances may hint at potential vascular contribution, which will be the subject of future works. [ABSTRACT FROM AUTHOR]

The amount of free ions, ion pairs, and higher aggregate of the possible species present in a solution during the gold(I)-catalyzed alkoxylation of unsaturated hydrocarbon, i.e., ISIP (inner sphere ion pair) [(NHC)AuX] and OSIP (outer sphere ion pairs) [(NHC)Au(TME)X] [NHC 1,3-bis(2,6-di-isopropylphenyl)-imidazol-2-ylidene; TME = tetramethylethylene (2,3-bis methyl-butene); X−= Cl−, BF4−, OTf−; and OTs− BArF4− (ArF = 3,5-(CF3)2C6H3)], has been determined. The 1H and 19F DOSY NMR measurements conducted in catalytic conditions indicate that the dissociation degree (α) of the equilibrium ion pair/free ions {[(NHC)Au(TME)X] ↔[(NHC)Au(TME)]+ + X−} depends on the nature of the counterion (X−) when chloroform is the catalytic solvent: while the compounds containing OTs− and OTf− as the counterion gave a low α (which means a high number of ion pairs) of 0.13 and 0.24, respectively, the compounds containing BF4− and BArF4− showed higher α values of 0.36 and 0.32, respectively. These results experimentally confirm previous deductions based on catalytic and theoretical data: the lower the α value, the greater the catalytic activity because the anion that can activate methanol during a nucleophilic attack, although the lower propensity to activate methanol of BF4− and BArF4−, as suggested by the DFT calculations, cannot be completely overlooked. As for the effect of the solvent, α increases as the dielectric constant increases, as expected, and in particular, green solvents with high dielectric constants show a very high α (0.90, 0.84, 0.80, and 0.70 for propylene carbonate, γ-valerolactone, acetone, and methanol, respectively), thus confirming that the moderately high activity of NHC-Au-OTf in these solvents is due to the specific effect of polar functionalities (O-H, C=O, O-R) in activating methanol. Finally, the DOSY measurements conducted in p-Cymene show the formation of quadrupole species: under these conditions, the anion can better exercise its ‘template’ and ‘activating’ roles, giving the highest TOF. [ABSTRACT FROM AUTHOR]

This study analyzes the extent to which alarm systems impact geographical displacement and/or diffusion of benefits on burglary, which regards as a substitute for the absence of capable guardians. A quasi-experimental design with three nested concentric zones—target, buffer, and control—are utilized by incorporating the WDQ conceptual approach with GIS and a parcel map. The datasets include burglary incidents and alarm permit records. Alarms produce a sizeable impact on burglary reduction. No indication of spatial displacement is observed from protected houses to nearby houses. Alarms create a short geographic ambit and a wider spatial range of diffusion of benefits. A burglar alarm can protect the house without displacing burglary to nearby houses and provides neighboring houses with protection as well. [ABSTRACT FROM AUTHOR]

Since the 1920s, the Enskog solutions to the Boltzmann equation have provided a route to predicting the transport properties of dilute gas mixtures. At higher densities, predictions have been limited to gases of hard spheres. In this work, we present a revised Enskog theory for multicomponent mixtures of Mie fluids, where the Barker–Henderson perturbation theory is used to calculate the radial distribution function at contact. With parameters of the Mie-potentials regressed to equilibrium properties, the theory is fully predictive for transport properties. The presented framework offers a link between the Mie potential and transport properties at elevated densities, giving accurate predictions for real fluids. For mixtures of noble gases, diffusion coefficients from experiments are reproduced within ±4%. For hydrogen, the predicted self-diffusion coefficient is within 10% of experimental data up to 200 MPa and at temperatures above 171 K. Binary diffusion coefficients of the CO2/CH4 mixture from simulations are reproduced within 20% at pressures up to 14.7 MPa. Except for xenon in the vicinity of the critical point, the thermal conductivity of noble gases and their mixtures is reproduced within 10% of the experimental data. For other molecules than noble gases, the temperature dependence of the thermal conductivity is under-predicted, while the density dependence appears to be correctly predicted. Predictions of the viscosity are within ±10% of the experimental data for methane, nitrogen, and argon up to 300 bar, for temperatures ranging from 233 to 523 K. At pressures up to 500 bar and temperatures from 200 to 800 K, the predictions are within ±15% of the most accurate correlation for the viscosity of air. Comparing the theory to an extensive set of measurements of thermal diffusion ratios, we find that 49% of the model predictions are within ±20% of the reported measurements. The predicted thermal diffusion factor differs by less than 15% from the simulation results of Lennard-Jones mixtures, even at densities well exceeding the critical density. [ABSTRACT FROM AUTHOR]

In situ linear optical diffraction is a new method for studies of surface mass transport in electrochemical environments that is based on the equilibration of coverage gratings in an adlayer on the electrode surface. We, here, discuss the temporal evolution of the diffraction intensity on the basis of experimental data for sulfur adsorbates on Pt(111) electrodes in 0.1M H2SO4 and simulations of the time-dependent diffusion profiles. At low and medium sulfur coverage, the decay of the signal exhibits two time scales, which can be explained by the influence of coverage-dependent diffusion rates on the evolution of gratings with large coverage modulation. At high coverage, a further ultra-slow decay process or even a complete termination of the decay is observed, which we attribute to the presence of high-density, ordered, adlayer phases with low sulfur mobility. These results provide insight into the approaches required for extracting quantitative surface transport rates from linear optical diffraction measurements. [ABSTRACT FROM AUTHOR]

Recent single-molecule measurements [Schoch et al., Proc. Natl. Acad. Sci. U. S. A. 118, e2113202118 (2021)] have observed dynamic lipid–lipid correlations in membranes with submicrometer spatial resolution and submillisecond temporal resolution. While short from an instrumentation standpoint, these length and time scales remain long compared to microscopic molecular motions. Theoretical expressions are derived to infer experimentally measurable correlations from the two-body diffusion matrix appropriate for membrane-bound bodies coupled by hydrodynamic interactions. The temporal (and associated spatial) averaging resulting from finite acquisition times has the effect of washing out correlations as compared to naive predictions (i.e., the bare elements of the diffusion matrix), which would be expected to hold for instantaneous measurements. The theoretical predictions are shown to be in excellent agreement with Brownian dynamics simulations of experimental measurements. Numerical results suggest that the experimental measurement of membrane protein diffusion, in complement to lipid diffusion measurements, might help to resolve the experimental ambiguities encountered for certain black lipid membranes. [ABSTRACT FROM AUTHOR]

The measurement of translational diffusion coefficients by nuclear magnetic resonance (NMR) spectroscopy is essential in a broad range of fields, including organic, inorganic, polymer, and supramolecular chemistry. It is also a powerful method for mixture analysis. Spatially encoded diffusion NMR (SPEN DNMR)" is a time efficient technique to collect diffusion NMR data, which is particularly relevant for the analysis of samples that evolve in time. In many cases, motion other than diffusion is present in NMR samples. This is, for example, the case of flow NMR experiments, such as in online reaction monitoring and in the presence of sample convection. Such motion is deleterious for the accuracy of DNMR experiments in general and for SPEN DNMR in particular. Limited theoretical understanding of flow effects in SPEN DNMR experiments is an obstacle for their broader experimental implementation. Here, we present a detailed theoretical analysis of flow effects in SPEN DNMR and of their compensation, throughout the relevant pulse sequences. This analysis is validated by comparison with numerical simulation performed with the Fokker–Planck formalism. We then consider, through numerical simulation, the specific cases of constant, laminar, and convection flow and the accuracy of SPEN DNMR experiments in these contexts. This analysis will be useful for the design and implementation of fast diffusion NMR experiments and for their applications. [ABSTRACT FROM AUTHOR]

The cytoplasm is a complex, crowded environment that influences myriad cellular processes including protein folding and metabolic reactions. Recent studies have suggested that changes in the biophysical properties of the cytoplasm play a key role in cellular homeostasis and adaptation. However, it still remains unclear how cells control their cytoplasmic properties in response to environmental cues. Here, we used fission yeast spores as a model system of dormant cells to elucidate the mechanisms underlying regulation of the cytoplasmic properties. By tracking fluorescent tracer particles, we found that particle mobility decreased in spores compared to vegetative cells and rapidly increased at the onset of dormancy breaking upon glucose addition. This cytoplasmic fluidization depended on glucose-sensing via the cyclic adenosine monophosphate-protein kinase A pathway. PKA activation led to trehalose degradation through trehalase Ntp1, thereby increasing particle mobility as the amount of trehalose decreased. In contrast, the rapid cytoplasmic fluidization did not require de novo protein synthesis, cytoskeletal dynamics, or cell volume increase. Furthermore, the measurement of diffusion coefficients with tracer particles of different sizes suggests that the spore cytoplasm impedes the movement of larger protein complexes (40 to 150 nm) such as ribosomes, while allowing free diffusion of smaller molecules (~3 nm) such as second messengers and signaling proteins. Our experiments have thus uncovered a series of signaling events that enable cells to quickly fluidize the cytoplasm at the onset of dormancy breaking. [ABSTRACT FROM AUTHOR]

Combination of the experimental measurements of diffusion behavior and kinetic computational simulation provides a unique tool to probe the design of multi-component refractory alloys with excellent properties. In this work, for the first time, the determination of the interdiffusion coefficients of bcc phase in Mo-Zr system and Mo-Nb-Zr ternary system as well as the relevant atomic mobility parameters of Mo, Nb and Zr in BCC phase are investigated systematically. The interdiffusion coefficients of bcc phase in Mo-Zr binary alloys and Mo-Nb-Zr ternary alloys at 1423-1523 K were measured by solid-phase diffusion couple method combined with Boltzmann-Matano method and Matano-Kirkaldy method, respectively. Simultaneously, the quite steep Mo concentration gradients of the corresponding ternary diffusion couples in the Mo-Nb-Zr system are observed in this study, and the contributions of which are carefully evaluated in the subsequent extraction of the ternary interdiffusion coefficients for the Mo-Nb-Zr system. On the basis of the determined interdiffusion coefficients of Mo-Zr system and Mo-Nb-Zr system in this work, along with the relevant thermodynamic parameters, the atomic mobility parameters of Mo, Nb and Zr in BCC phase were evaluated, which are incorporated into the atomic mobility database of bcc phase in Nb-Mo-Ti-Zr multi-component system. In addition, the component distance curves of a series of diffusion couples are simulated by applying the established atomic mobility database. The consistency between the simulated results and the measured values further verifies the reliability of the work. [ABSTRACT FROM AUTHOR]

Reliable thermodynamic and kinetic databases are essential for designing and developing novel magnesium (Mg) alloys for elevated-temperature applications in the automotive and aerospace industries. This study investigated diffusion behaviors of HCP Mg-Ag-Sn alloys by four sets of three diffusion couples annealed at 450, 500, and 550 °C, respectively. Interdiffusion and impurity diffusion coefficients at the three annealing temperatures were extracted using the forward-simulation method. The determined diffusion coefficients, combined with prior results in the literature, were then used to assess atomic mobilities for the HCP phase of the Mg-Ag-Sn system. This assessment was conducted using the DICTRA and the TCMG5 thermodynamic database within the Thermo-Calc software. Comprehensive comparisons between calculated and experimental diffusion coefficients yielded an excellent agreement. The atomic mobilities were also further validated by appropriate predictions of concentration profiles and diffusion paths observed in independent diffusion couple experiments performed at 525 °C for 18 hrs. It has been found that the addition of Sn and Ag both increase the diffusivity of Ag in HCP Mg and Sn in HCP Mg in the stable temperature range of HCP Mg, respectively. This improved understanding of the kinetics in the Mg-Ag-Sn ternary system is essential for controlling diffusion-dependent properties such as coarsening and, therefore, the mechanical properties of Mg-Ag-Sn alloys at elevated temperatures. [ABSTRACT FROM AUTHOR]

This research explores nanomaterials' potential in CO2 capture and storage, emphasizing their role in CO2 diffusion and interfacial tension. We aimed to develop eco-friendly nanomaterials and evaluate their impact on CO2 sequestration, considering factors like pressure, temperature, salinity, and nanoparticle concentration. The research involved experimental measurements of CO2 diffusion in brine solutions and brine-based nanofluids containing green silica NPs and SiO2/Xanthan nanocomposites. CO2 diffusion coefficients were determined through practical pressure decay measurements using the Sheikha method. These measurements were conducted within a Fluid EVAL (PVT) cell, allowing CO2 interaction with each solution. The results of the study revealed significant improvements in the carbon dioxide (CO2) diffusion coefficients and reductions in interfacial tension when utilizing water/silica nanofluids containing 0.5 wt.% and 0.1 wt.% concentrations, in comparison with a brine solution without nanoparticles (NPs) and with a high salt concentration (20 wt.% NaCl). The CO2 diffusion coefficient increased from 2.15E-09 to 4.01E-09 m2/s. An even more significant enhancement was observed with 0.1 wt.% SiO2 NPs, where the CO2 diffusion coefficient reached 4.87E-09 m2/s. In addition, CO2 interfacial tension reduced from 44.3517 to 1.0388 mN/m and 0.9098 mN/m, respectively. The general trend of the measured carbon dioxide diffusion coefficient aligned with increased pressure and temperature. Additionally, when considering the transition to a supercritical state, the findings highlighted consistent behavior, independent of variations in pressure and temperature. Conversely, the interfacial tension between CO2 and nanofluids decreased in response to heightened pressure and temperature. Moreover, an increase in salinity led to a rise in interfacial tension. In conclusion, heightened CO2 diffusion and reduced interfacial tension improve CO2 sequestration, enhancing CO2 transport, absorption, and storage efficiency for successful long-term CO2 storage. [ABSTRACT FROM AUTHOR]

Freshwater ecosystems are believed to account for about half of global methane emissions, but this estimate is uncertain due to few measurements in some geographical regions and most important for our purposes, large local variations. We propose a simple, cheap (<200€), and effective solution to the urgent need for equipment that can provide accurate data on methane emission at high spatial and temporal resolution for many days, across many ecosystems and regions, and with limited inspection. A low‐cost metal oxide semiconductor sensor, placed in a floating chamber equipped with an air pump to flush the chamber's headspace at regular intervals, provides frequent and accurate high‐resolution measurements of diffusive and ebullitive methane emissions from lakes and rivers. We made several improvements that yield more useful data and enable the setup to operate for several days without visual inspection. To test the accuracy of the equipment, we compared its measurements of methane emission to parallel measurements by an expensive, commercially available laser sensor. The correspondence was excellent (R2 ≥ 0.94) and the deviation of measurements was minimal at fluxes within ranges encountered in the field. We also designed an R‐package (FluxSeparator), which associates the large sensor‐generated data sets with diffusive and ebullitive flux activity. Both the sensor setup and the R‐package are flexible and have been made publicly available to encourage others to use and further improve the equipment and calculations. Plain Language Summary: Lakes, streams and wetlands are believed to account for half of the global methane emissions. The uncertainties of these estimates are high due to limitations in measurement techniques and numbers. Here, we propose an easy and cheap do‐it‐yourself sensor and chamber system to measure methane and carbon dioxide (CO2) to overcome these limitations and a software solution to help calculate emissions from both diffusion and bubbles. The sensor is placed in the headspace of a floating chamber to measure methane concentration changes over time. After a set time interval, the sensor flushes the air in the headspace using a pump, allowing multiple automatic measurements of emissions without supervision. Comparisons with an expensive commercially available laser system showed excellent agreement. The software eases the calculation of numerous emission measurements by the automated sensor and chamber system. All the files used to create the sensor and the software are publicly available for everyone to use, while also allowing individual settings of sensors and software. Key Points: Cheap and accurate do‐it‐yourself sensor for measurements of methane and CO2 fluxesAn automated sensor allowing for multiple autonomous flux measurementsA new user‐friendly R‐packaged developed for separating and calculating multiple diffusive and ebullitive fluxes [ABSTRACT FROM AUTHOR]

Nuclear magnetic resonance (NMR) is an established method to determine self‐diffusion coefficients in liquids with high precision. The development of benchtop NMR spectrometers makes the method accessible to a wider community. In most cases, 1H NMR spectroscopy is used to determine self‐diffusion coefficients due to its high sensitivity. However, especially when using benchtop NMR spectrometers for the investigation of complex mixtures, the signals in 1H NMR spectra can overlap, hindering the precise determination of self‐diffusion coefficients. In 13C NMR spectroscopy, the signals of different compounds are generally well resolved. However, the sensitivity of 13C NMR is significantly lower than that of 1H NMR spectroscopy leading to very long measurement times, which makes diffusion coefficient measurements based on 13C NMR practically infeasible with benchtop NMR spectrometers. To circumvent this problem, we have combined two known pulse sequences, one for polarization transfer from 1H to the 13C nuclei (PENDANT) and one for the measurement of diffusion coefficients (PFG). The new method (PENPFG) was used to measure the self‐diffusion coefficients of three pure solvents (acetonitrile, ethanol and 1‐propanol) as well as in all their binary mixtures and the ternary mixture at various compositions. For comparison, also measurements of the same systems were carried out with a standard PFG‐NMR routine on a high‐field NMR instrument. The results are in good agreement and show that PENPFG is a useful tool for the measurement of the absolute value of the self‐diffusion coefficients in complex liquid mixtures with benchtop NMR spectrometers. [ABSTRACT FROM AUTHOR]

Context. Thermal diffusion is one of the basic processes for the mobility and formation of species on cosmic dust grains. The rate of thermal diffusion is determined by the grain surface temperature, a pre-exponential factor, and an activation energy barrier for diffusion. Due to the lack of laboratory measurements on diffusion, prior astrochemical models usually assume that the diffusion pre-exponential factor is the same as that for desorption. This oversimplification may lead to an uncertainty in the model predictions. Recent laboratory measurements have found that the diffusion pre-exponential factor can differ from that for desorption by several orders of magnitude. However, the newly determined pre-exponential factor has not been tested in astrochemical models so far. Aims. We aim to evaluate the effect of the newly experimentally measured diffusion pre-exponential factor on the chemistry under cold molecular cloud conditions. Methods. We ran a set of parameters with different grain temperatures and diffusion barrier energies using the NAUTILUS astro-chemical code and compared the molecular abundance between the models with the abundance obtained using the experimentally determined pre-exponential factor for diffusion and with the abundance obtained using the values commonly adopted in prior models. Results. We found that statistically, more than half of the total gas-phase and grain surface species are not affected by the new pre-exponential factor after a chemical evolution of 105 yr. The most abundant gas-phase CO and grain surface water ice are not affected by the new pre-exponential factor. For the grain surface species that are affected, compared to the commonly adopted value of the pre-exponential factor for diffusion used in the chemical models, they could be either overproduced or underproduced with the lower diffusion pre-factor used in this work. The former case applies to radicals and the species that serve as reactants, while the latter case applies to complex organic molecules (COMs) on the grain and the species that rarely react with other species. Gas-phase species could also be affected due to the desorption of the grain surface species. The abundance of some gas-phase COMs could be varied by over one order of magnitude depending on the adopted grain surface temperature and/or the ratio of diffusion to desorption energy in the model. Key species whose diffusion pre-exponential factor significantly affects the model predictions were also evaluated, and these species include CH3OH, H2CO, and NO. Conclusions. The results presented in this study show that the pre-exponential factor is one of the basic and important parameters in astrochemical models. It strongly affects the chemistry and should be determined carefully. More experiments to determine the diffusion of grain surface species are helpful for constraining their properties. [ABSTRACT FROM AUTHOR]

Introduction: Magnetic resonance imaging (MRI) enables the investigation of pathological changes in gray and white matter at the lumbosacral enlargement (LSE) and conus medullaris (CM). However, conducting group-level analyses of MRI metrics in the lumbosacral spinal cord is challenging due to variability in CM length, lack of established image-based landmarks, and unknown scan-rescan reliability. This study aimed to improve inter-subject alignment of the lumbosacral cord to facilitate group-level analyses of MRI metrics. Additionally, we evaluated the scan-rescan reliability of MRI-based cross-sectional area (CSA) measurements and diffusion tensor imaging (DTI) metrics. Methods: Fifteen participants (10 healthy volunteers and 5 patients with spinal cord injury) underwent axial T2*-weighted and diffusion MRI at 3T. We assessed the reliability of spinal cord and gray matter-based landmarks for inter-subject alignment of the lumbosacral cord, the inter-subject variability of MRI metrics before and after adjusting for the CM length, the intra- and inter-rater reliability of CSA measurements, and the scan-rescan reliability of CSA measurements and DTI metrics. Results: The slice with the largest gray matter CSA as an LSE landmark exhibited the highest reliability, both within and across raters. Adjusting for the CM length greatly reduced the inter-subject variability of MRI metrics. The intra-rater, inter-rater, and scan-rescan reliability of MRI metrics were the highest at and around the LSE (scan-rescan coefficient of variation <3% for CSA measurements and <7% for DTI metrics within the white matter) and decreased considerably caudal to it. Conclusions: To facilitate group-level analyses, we recommend using the slice with the largest gray matter CSA as a reliable LSE landmark, along with an adjustment for the CM length. We also stress the significance of the anatomical location within the lumbosacral cord in relation to the reliability of MRI metrics. The scan-rescan reliability values serve as valuable guides for power and sample size calculations in future longitudinal studies. [ABSTRACT FROM AUTHOR]

This scientific study employs the Taylor dispersion technique for diffusion measurements to investigate the interaction between sulfamerazine (NaSMR) and macromolecular cyclodextrins (β-CD and HP-β-CD). The results reveal that the presence of β-CD influences the diffusion of the solution component, NaSMR, indicating a counterflow of this drug due to solute interaction. However, diffusion data indicate no inclusion of NaSMR within the sterically hindered HP-β-CD cavity. Additionally, toxicity tests were conducted, including pollen germination (Actinidia deliciosa) and growth curve assays in BY-2 cells. The pollen germination tests demonstrate a reduction in sulfamerazine toxicity, suggesting potential applications for this antimicrobial agent with diminished adverse effects. This comprehensive investigation contributes to a deeper understanding of sulfamerazine–cyclodextrin interactions and their implications for pharmaceutical and biological systems. [ABSTRACT FROM AUTHOR]

The theory and application of the Taylor Dispersion technique for measuring diffusion coefficients in binary systems is reviewed. The theory discussed in this paper includes both the ideal Taylor–Aris model and the estimation of corrections required to account for small deviations from this ideal associated with a practical apparatus. Based on the theoretical treatment, recommendations are given for the design of practical instruments together with suggestions for calibration, data acquisition and reduction, and the rigorous estimation of uncertainties. The analysis indicates that relative uncertainties on the order of 1% are achievable in practice. [ABSTRACT FROM AUTHOR]

Background: Simultaneous multi‐slice diffusion‐weighted imaging (SMS‐DWI) can shorten acquisition time in abdominal imaging. Purpose: To investigate the agreement and reproducibility of apparent diffusion coefficient (ADC) from abdominal SMS‐DWI acquired with different vendors and different breathing schemes. Study Type: Prospective. Subjects: Twenty volunteers and 10 patients. Field Strength/Sequence: 3.0 T, SMS‐DWI with a diffusion‐weighted echo‐planar imaging sequence. Assessment: SMS‐DWI was acquired using breath‐hold and free‐breathing techniques in scanners from two vendors, yielding four scans in each participant. Average ADC values were measured in the liver, pancreas, spleen, and both kidneys. Non‐normalized ADC and ADCs normalized to the spleen were compared between vendors and breathing schemes. Statistical Tests: Paired t‐test or Wilcoxon signed rank test; intraclass correlation coefficient (ICC); Bland–Altman method; coefficient of variation (CV) analysis; significance level: P < 0.05. Results: Non‐normalized ADCs from the four SMS‐DWI scans did not differ significantly in the spleen (P = 0.262, 0.330, 0.166, 0.122), right kidney (P = 0.167, 0.538, 0.957, 0.086), and left kidney (P = 0.182, 0.281, 0.504, 0.405), but there were significant differences in the liver and pancreas. For normalized ADCs, there were no significant differences in the liver (P = 0.315, 0.915, 0.198, 0.799), spleen (P = 0.815, 0.689, 0.347, 0.423), pancreas (P = 0.165, 0.336, 0.304, 0.584), right kidney (P = 0.165, 0.336, 0.304, 0.584), and left kidney (P = 0.496, 0.304, 0.443, 0.371). Inter‐reader agreements of non‐normalized ADCs were good to excellent (ICCs ranged from 0.861 to 0.983), and agreement and reproducibility were good to excellent depending on anatomic location (CVs ranged from 3.55% to 13.98%). Overall CVs for abdominal ADCs from the four scans were 6.25%, 7.62%, 7.08, and 7.60%. Data Conclusion: The normalized ADCs from abdominal SMS‐DWI may be comparable between different vendors and breathing schemes, showing good agreement and reproducibility. ADC changes above approximately 8% may potentially be considered as a reliable quantitative biomarker to assess disease or treatment‐related changes. Level of Evidence: 2 Technical Efficacy: Stage 2 [ABSTRACT FROM AUTHOR]

The article discusses the phenomenon of diffusion in nanoporous materials and its potential impact on matter upgrading and productivity. The authors highlight the occurrence of ultra-fast diffusion in one-dimensional channels of a zeolite based on molecular simulations and uptake rate measurements. However, a re-analysis of the uptake data suggests that experimental validation of ultra-fast diffusion is yet to be confirmed. The article also explores previous research on enhanced diffusion in nanoporous materials and the challenges faced by experimentalists in observing diffusion anomalies. The authors emphasize the need for good experimental practice and the development of guidelines for measuring and reporting diffusion properties in nanoporous materials. [Extracted from the article]

Oxygen diffusion properties in thin polymer films are key parameters in industrial applications from food packaging, over medical encapsulation to organic semiconductor devices and have been continuously investigated in recent decades. The established methods have in common that they require complex pressure-sensitive setups or vacuum technology and usually do not come without surface effects. In contrast, this work provides a low-cost, precise and reliable method to determine the oxygen diffusion coefficient D in bulk polymer films based on tracking the phosphorescent pattern of a programmable luminescent tag over time. Our method exploits two-dimensional image analysis of oxygen-quenched organic room-temperature phosphors in a host polymer with high spatial accuracy. It avoids interface effects and accounts for the photoconsumption of oxygen. As a role model, the diffusion coefficients of polystyrene glasses with molecular weights between 13k and 350k g/mol are determined to be in the range of (0.8–1.5) × 10–7 cm2/s, which is in good agreement with previously reported values. We finally demonstrate the reduction of the oxygen diffusion coefficient in polystyrene by one quarter upon annealing above its glass transition temperature. [ABSTRACT FROM AUTHOR]

Background: Longitudinal assessments of apparent diffusion coefficients (ADCs) derived from diffusion-weighted imaging (DWI) during intracranial radiotherapy at magnetic resonance imaging-guided linear accelerators (MR-linacs) could enable early response assessment by tracking tumor diffusivity changes. However, DWI pulse sequences are currently unavailable in clinical practice at low-field MR-linacs. Quantifying the in vivo repeatability of ADC measurements is a crucial step towards clinical implementation of DWI sequences but has not yet been reported on for low-field MR-linacs. This study assessed ADC measurement repeatability in a phantom and in vivo at a 0.35 T MR-linac. Methods: Eleven volunteers and a diffusion phantom were imaged on a 0.35 T MR-linac. Two echo-planar imaging DWI sequence variants, emphasizing high spatial resolution ("highRes") and signal-to-noise ratio ("highSNR"), were investigated. A test–retest study with an intermediate outside-scanner-break was performed to assess repeatability in the phantom and volunteers' brains. Mean ADCs within phantom vials, cerebrospinal fluid (CSF), and four brain tissue regions were compared to literature values. Absolute relative differences of mean ADCs in pre- and post-break scans were calculated for the diffusion phantom, and repeatability coefficients (RC) and relative RC (relRC) with 95% confidence intervals were determined for each region-of-interest (ROI) in volunteers. Results: Both DWI sequence variants demonstrated high repeatability, with absolute relative deviations below 1% for water, dimethyl sulfoxide, and polyethylene glycol in the diffusion phantom. RelRCs were 7% [5%, 12%] (CSF; highRes), 12% [9%, 22%] (CSF; highSNR), 9% [8%, 12%] (brain tissue ROIs; highRes), and 6% [5%, 7%] (brain tissue ROIs; highSNR), respectively. ADCs measured with the highSNR variant were consistent with literature values for volunteers, while smaller mean values were measured for the diffusion phantom. Conversely, the highRes variant underestimated ADCs compared to literature values, indicating systematic deviations. Conclusions: High repeatability of ADC measurements in a diffusion phantom and volunteers' brains were measured at a low-field MR-linac. The highSNR variant outperformed the highRes variant in accuracy and repeatability, at the expense of an approximately doubled voxel volume. The observed high in vivo repeatability confirms the potential utility of DWI at low-field MR-linacs for early treatment response assessment. [ABSTRACT FROM AUTHOR]

Achieving commercially acceptable Zn-MnO2 rechargeable batteries depends on the reversibility of active zinc and manganese materials, and avoiding side reactions during the second electron reaction of MnO2. Typically, liquid electrolytes such as potassium hydroxide (KOH) are used for Zn-MnO2 rechargeable batteries. However, it is known that using liquid electrolytes causes the formation of electrochemically inactive materials, such as precipitation Mn3O4 or ZnMn2O4 resulting from the uncontrollable reaction of Mn3+ dissolved species with zincate ions. In this paper, hydrogel electrolytes are tested for MnO2 electrodes undergoing two-electron cycling. Improved cell safety is achieved because the hydrogel electrolyte is non-spillable, according to standards from the US Department of Transportation (DOT). The cycling of "half cells" with advanced-formulation MnO2 cathodes paired with commercial NiOOH electrodes is tested with hydrogel and a normal electrolyte, to detect changes to the zincate crossover and reaction from anode to cathode. These half cells achieved ≥700 cycles with 99% coulombic efficiency and 63% energy efficiency at C/3 rates based on the second electron capacity of MnO2. Other cycling tests with "full cells" of Zn anodes with the same MnO2 cathodes achieved ~300 cycles until reaching 50% capacity fade, a comparable performance to cells using liquid electrolyte. Electrodes dissected after cycling showed that the liquid electrolyte allowed Cu ions to migrate more than the hydrogel electrolyte. However, measurements of the Cu diffusion coefficient showed no difference between liquid and gel electrolytes; thus, it was hypothesized that the gel electrolytes reduced the occurrence of Cu short circuits by either (a) reducing electrode physical contact to the separator or (b) reducing electro-convective electrolyte transport that may be as important as diffusive transport. [ABSTRACT FROM AUTHOR]

Understanding the consistency of pituitary macroadenomas is crucial for neurosurgeons planning surgery. This retrospective study aimed to evaluate the utility of diffusion-weighted imaging (DWI) and the apparent diffusion coefficient (ADC) as non-invasive imaging modalities for predicting the consistency of pituitary macroadenomas. This could contribute to appropriate surgical planning and therefore reduce the likelihood of incomplete resections. The study included 45 patients with pathologically confirmed pituitary macroadenomas. Conventional MRI sequences, DWIs, ADC maps, and pre- and post-contrast MRIs were performed. Two neuroradiologists assessed all of the images. Neurosurgeons assessed the consistency of the tumor macroscopically, and histopathologists examined it microscopically. The MRI findings were compared with postoperative data. According to the operative data, macroadenomas were divided into the two following categories based on their consistency: aspirable (n = 27) and non-aspirable tumors (n = 18). A statistically significant difference in DWI findings was found when comparing macroadenomas of different consistencies (p < 0.001). Most aspirable macroadenomas (66.7%) were hyperintense according to DWI and hypointense on ADC maps, whereas most non-aspirable macroadenomas (83.3%) were hypointense for DWI and hyperintense on ADC maps. At a cut-off value of 0.63 × 10−3 mm2/s, the ADC showed a sensitivity of 85.7% and a specificity of 75% for the detection of non-aspirable macroadenomas (AUC, 0.946). The study concluded that DWI should be routinely performed in conjunction with ADC measurements in the preoperative evaluation of pituitary macroadenomas. This approach may aid in surgical planning, ensure that appropriate techniques are utilized, and reduce the risk of incomplete resection. [ABSTRACT FROM AUTHOR]

Reliable structure elucidation of covalent organic cage compounds remains challenging as routine analysis might leave ambiguities. Diffusion‐ordered NMR spectroscopy (DOSY) allows insight into the molecular size and mass of the species present in solution, but a systematic evaluation of the diffusion behavior for cage assemblies is rarely considered. Here we report the synthesis of four series of covalent organic cages based on tribenzotriquinacenes and diboronic acids with varying geometry and exohedral substituents. We provide a guideline for the consistent measurement of diffusion coefficients from 1H‐DOSY NMR spectroscopy, which was utilized to study the diffusion behavior for the whole set of cages and selected examples from the literature. For structurally similar cages, a linear correlation between the solvodynamic volume and the molecular mass allows precise size determination. For more complex systems, multiple parameters, such as window size or rigid exohedral functionalization. further modulate cage diffusion in solution. [ABSTRACT FROM AUTHOR]

The presence of phase diffusion noise may lead to the loss of quantum measurement advantages, resulting in measurement results that cannot beat the standard quantum limit (SQL). Squeezing is considered an effective method for reducing the detrimental effect of phase diffusion on a measurement. Reasonable use of squeezing can make a measurement exceed the SQL. The Mach–Zehnder (MZ) interferometer has been exploited as a generic tool for precise phase measurement. Describing the reduction in quantum advantage caused by phase diffusion in an MZ interferometer that can be mitigated by squeezing is not easy to handle analytically because the input state changes from a pure state to a mixed state after experiencing the diffusion noise in the MZ interferometer. We introduce a truncated MZ interferometer, a symmetrical structure that can achieve the same potential phase sensitivity as the conventional MZ interferometer. This scheme can theoretically explain how phase diffusion reduces phase estimation and why squeezing counteracts the presence of phase diffusion. Using the Gaussian property of the input state and the characteristic of Gaussian operation in the squeezing, the two orthogonal field quantities of the quantum state are squeezed and anti-squeezed to different degrees, and the analytic results are obtained. This result can beat the SQL and provide reliable theoretical guidance for the experiment. The truncated MZ interferometer is more straightforward to build and operate than the conventional MZ interferometer. Moreover, it mitigates the phase diffusion noise via the squeezing operation, thus making it useful for applications in quantum metrology. [ABSTRACT FROM AUTHOR]

Mutations in activin-like kinase 2 (ALK2), e.g., ALK2-R206H, induce aberrant signaling to SMAD1/5/8, leading to Fibrodysplasia Ossificans Progressiva (FOP). In spite of extensive studies, the underlying mechanism is still unclear. Here, we quantified the homomeric and heteromeric interactions of ACVR2A, ACVR2B, ALK2-WT, and ALK2-R206H by combining IgG-mediated immobilization of one receptor with fluorescence recovery after photobleaching (FRAP) measurements on the lateral diffusion of a co-expressed receptor. ACVR2B formed stable homomeric complexes that were enhanced by Activin A (ActA), while ACVR2A required ActA for homodimerization. ALK2-WT, but not ALK2-R206H, exhibited homomeric complexes unaffected by ActA. ACVR2B formed ActA-enhanced heterocomplexes with ALK2-R206H or ALK2-WT, while ACVR2A interacted mainly with ALK2-WT. The extent of the homomeric complex formation of ACVR2A or ACVR2B was reflected in their ability to induce the oligomerization of ALK2-R206H and ALK2-WT. Thus, ACVR2B, which forms dimers without ligand, induced ActA-independent ALK2-R206H clustering but required ActA for enhancing the oligomerization of the largely dimeric ALK2-WT. In contrast, ACVR2A, which undergoes homodimerization in response to ActA, required ActA to induce ALK2-R206H oligomerization. To investigate whether these interactions are translated into signaling, we studied signaling by the FOP-inducing hyperactive ALK2-R206H mutant, with ALK2-WT signaling as control. The activation of SMAD1/5/8 signaling in cells expressing ALK2-R206H alone or together with ACVR2A or ACVR2B was measured by blotting for pSMAD1/5/8 and by transcriptional activation assays using BRE-Luc reporter. In line with the biophysical studies, ACVR2B activated ALK2-R206H without ligand, while activation by ACVR2A was weaker and required ActA. We propose that the homodimerization of ACVR2B or ACVR2A dictates their ability to recruit ALK2-R206H into higher complexes, enabling the homomeric interactions of ALK2-R206H receptors and, subsequently, their activation. [ABSTRACT FROM AUTHOR]

Mass diffusion coefficients of gas mixtures have been measured for more than 100 years. However, the experimental data for the mass diffusion coefficient of gas mixtures in the rarefied gas regimes at Knudsen numbers (Kn) above 0.01 are few and remain uncertain due to the inherent precision limitations of the available state-of-the-art measurement techniques. The increased frequency of gas-wall collision, wall-friction, and surface-diffusion over the wall surface at Kn > 0.01 increases the uncertainty of the diffusive mass transport processes for internal gas flow in microcapillaries. Due to the growing interest in microfluidic applications at rarefied gas conditions, accurate diffusion coefficient measurements are needed to inform theoretical predictions and empirical relations in rarefied gas regimes. Thus, this article introduces a new experiment methodology consisting of a two-bulb (TB) diffusion configuration accompanied by a tunable diode laser absorption spectroscopy (TDLAS) detection technique that uses the measured time history of path-integrated absorbance to provide a non-intrusive, species-specific, in situ measurement of mass diffusion for a He–CO2 binary gas mixture at Kn > 0.01. To demonstrate the TB-TDLAS method's capability, the effective diffusion coefficient for a He–CO2 binary gas mixture was measured in the transition gas regime at Knudsen numbers relative to the tube radius in the range 0.1 < Kn < 5.4, and the results are compared against the Bosanquet empirical relation. [ABSTRACT FROM AUTHOR]

Background: Active infrared thermography is proved to be viable and attractive for non-destructive evaluation of interfacial defects like delaminations in a coating-substrate system. But it is a challenging task to accurately quantify small and deeply buried defects from thermal images, due to the inevitable effects of lateral heat diffusion and measurement noise. Objective: The aim of this work is to estimate the size and pattern of defects at the interface of a two-layer system with high accuracy and high reliability based on step heating thermography. Methods: To characterize the effect of defect on the heat flow, a virtual heat flux is assumed at the interface, which is reconstructed from measured surface temperature by solving a three-dimensional inverse problem. The inverse solution is obtained using the Green's function and regularization techniques, and then used for estimating the defect pattern by threshold segmentation. An improvement on computational efficiency is achieved by an iteratively substitution of nodal temperature. Results: Simulations with synthetic data generated by a finite element model validate the feasibility of this approach. Results obtained from experiments for an Aluminum oxide/steel system show the robustness of this approach, when temperatures are contaminated with measurement noise. Both the performance on estimation of various defect shapes and the effects of regularization are discussed. Conclusion: This study show that the present approach brings an improvement in accuracy and reliability for the estimation of size and pattern of defects with various diameter-to-depth ratios, in comparison with conventional techniques. [ABSTRACT FROM AUTHOR]

Anthraquinone-based molecules are promising electroactive materials for use in aqueous organic flow batteries. At high concentrations in aqueous solutions, the well-known negolyte molecule anthraquinone disulfonic acid (AQDS) molecule has been observed to aggregate under near-neutral and acidic conditions. Aggregation has been hypothesized to be directly linked to observed concurrent capacity reduction. In this study, we investigated three different water-soluble anthraquinones in electrolytes of varying compositions and pH to gain further insight into the possible causes of capacity loss. We used low-field benchtop 1H-NMR and diffusion NMR measurements directly in non-deuterated aqueous flow-battery electrolytes to investigate molecular aggregation. Single-cell testing was performed under exhaustive electrolysis conditions to determine the number of electrons exchanged per molecule. We observed a decrease in the number of electrons exchanged per molecule in the presence of carbonate ions due to CO2 adduct formation. The aggregation constants were determined from both concentration-dependent chemical shifts and self-diffusion coefficients. We show that aggregation of the oxidized form of all three molecules studied here occurs under near-neutral and alkaline conditions and does not affect the number of accessible e−. [ABSTRACT FROM AUTHOR]

Hydrogen can be a critical part of the energy transition and salt caverns have been considered for underground hydrogen storage. Although there have been some successful experiences of hydrogen storage in salt caverns in Europe and the United States, it is essential to exercise caution when selecting caverns for storage to ensure safe operations. This study investigates the relationship between rock heterogeneity and helium diffusion by testing salt-rock cores from the Lotsberg Formation, Alberta, Canada. We characterized salt rock heterogeneity by analyzing the results of X-ray diffraction (XRD) analysis, thin-section microscopy, scanning electron microscopy/energy dispersive X-ray spectrometry (SEM/EDS), and high-resolution CT scans. Then, diffusion tests were conducted using a custom-designed HPHT visualization cell on core samples with different compositions and crystal sizes. The samples in this study were categorized as Lotsberg Salt and Lotsberg Marlstone. Lotsberg Salt mainly consisted of halite with trace amounts of carbonate impurities, while Lotsberg Marlstone comprised halite with a carbonate matrix containing carbonates, clays, quartz, and muscovite. Helium diffusion through pure and intact halite crystals was negligible, and the micro-scale halite crystal boundaries are non-open or poorly unconnected for helium diffusion. Halite samples with macro-scale grain boundaries and carbonate impurities exhibited more interconnected pore networks, resulting in increased rates of helium diffusion. However, the formation of secondary halite veins between grain boundaries can lead to tightly sealed boundaries that have poor connectivity, limiting helium diffusion within the sample. Salt-rock cores with intergranular fractures and unsealed grain boundaries showed accelerated pressure declines, attributed to the preferential diffusion of helium through these fracture and crack pathways. • Gas transport into salt rocks depends on mineralogy, crystal shape and size. • Gas diffusion through intact halite crystals with no discontinuities is negligible. • Salt crystal boundaries and fractures within grains can be the preferential flow paths for Gas diffusion. [ABSTRACT FROM AUTHOR]

The development of drugs targeting the central nervous system (CNS) is challenging because of the presence of the Blood-Brain barrier (BBB). Developing physiologically relevant in vitro BBB models for evaluating drug permeability and predicting the activity of drug candidates is crucial. The transwell model is one of the most widely used in vitro BBB models. However, this model has limitations in mimicking in vivo conditions, particularly in the absence of shear stress. This study aimed to overcome the limitations of the transwell model using immortalized human endothelial cells (hCMEC/D3) by developing a novel dish design for an orbital shaker, providing shear stress. During optimization, we assessed cell layer integrity using trans-endothelial electrical resistance measurements and the % diffusion of lucifer yellow. The efflux transporter activity and mRNA expression of junctional proteins (claudin-5, occludin, and VE-cadherin) in the newly optimized model were verified. Additionally, the permeability of 14 compounds was evaluated and compared with published in vivo data. The cell-layer integrity was substantially increased using the newly designed annular shaking-dish model. The results demonstrate that our model provided robust conditions for evaluating the permeability of CNS drug candidates, potentially improving the reliability of in vitro BBB models in drug development. [ABSTRACT FROM AUTHOR]

Maxwell or concomitant fields imprint additional phases on the transverse magnetization. This concomitant phase may cause severe image artifacts like signal voids or distort the quantitative parameters due to the induced intravoxel dephasing. In particular, double diffusion encoding (DDE) schemes with two pairs of bipolar diffusion-weighting gradients separated by a refocusing radiofrequency (RF) pulse are prone to concomitant field-induced artifacts. In this work, a method for reducing concomitant field effects in these DDE sequences based on additional oscillating gradients is presented. These oscillating gradient pulses obtained by constrained optimization were added to the original gradient waveforms. The modified sequences reduced the accumulated concomitant phase without significant changes in the original sequence characteristics. The proposed method was applied to a DDE acquisition scheme consisting of 60 pairs of diffusion wave vectors. For phantom as well as for in vivo experiments, a considerable increase in the signal-to-noise ratio (SNR) was obtained. For phantom measurements with a diffusion weighting of b = 2000 s/mm2 for each of the gradient pairs, an SNR increase of up to 40% was observed for a transversal slice that had a distance of 5 cm from the isocenter. For equivalent slice parameters, in vivo measurements in the brain of a healthy volunteer exhibited an increase in SNR of up to 35% for b = 750 s/mm2 for each weighting. These findings are supported by corresponding simulations, which also predict a positive effect on the SNR. In summary, the presented method leads to an SNR gain without additional RF refocusing pulses. • Proposes a novel method for concomitant field effect reduction for double diffusion encoding. • Demonstrates a positive effect on the SNR in phantom and in vivo. • Reveals importance for clinical high-amplitude gradient systems. [ABSTRACT FROM AUTHOR]

The diffusion of molecules on interstellar grain surfaces is one of the most important driving forces for the molecular complexity in the interstellar medium. Due to the lack of laboratory measurements, astrochemical modeling of grain surface processes usually assumes a constant ratio between the diffusion energy barrier and the desorption energy. This over-simplification inevitably causes large uncertainty in model predictions. We present a new measurement of the diffusion of CO $ _2 $ 2 molecules on the surface of non-porous amorphous solid water (np-ASW), an analog of the ice mantle that covers cosmic dust grains. A small coverage of CO $ _2 $ 2 was deposited onto an np-ASW surface at 40 K, the subsequent warming of the ice activated the diffusion of CO $ _2 $ 2 molecules, and a transition from isolated CO $ _2 $ 2 to CO $ _2 $ 2 clusters was seen in the infrared spectra. To obtain the diffusion energy barrier and pre-exponential factor simultaneously, a set of isothermal experiments were carried out. The values for the diffusion energy barrier and pre-exponential factor were found to be $ 1300\pm 110 $ 1300 ± 110 K and $ 10^{7.6\pm 0.8} $ 10 7.6 ± 0.8 s $ ^{-1} $ − 1 . A comparison with prior laboratory measurements on diffusion is discussed. [ABSTRACT FROM AUTHOR]

The physical process in which a substance moves from a location with a higher concentration to a location with a lower concentration is known as molecular diffusion. It plays a crucial role during the mixing process between different gases in porous media. Due to the petrophysical properties of the porous medium, the diffusion process occurs slower than in bulk, and the overall process is also affected by thermodynamic conditions. The complexity of measuring gas–gas diffusion in porous media at increased pressure and temperature resulted in significant gaps in data availability for modelling this process. Therefore, correlations for ambient conditions and simplified diffusivity models have been used for modelling purposes. In this study, correlations in dependency of petrophysical and thermodynamic properties were developed based on more than 30 measurements of the molecular diffusion of the binary system hydrogen–methane in gas storage rock samples at typical subsurface conditions. It allows reproducing the laboratory observations by evaluating the bulk diffusion coefficient and the tortuosity factor with relative errors of less than 50 % with minor exceptions, leading to a strong improvement compared to existing correlations. The developed correlation was implemented in the open-source simulator DuMux and the implementation was validated by reproducing the measurement results. The validated implementation in DuMux allows to model scenarios such as Underground Hydrogen Storage (UHS) on a field-scale and, as a result, can be used to estimate the temporary loss of hydrogen into the cushion gas and the purity of withdrawn gas due to the gas–gas mixing process. Article Highlights: Development of a correlation for effective binary diffusion coefficients for the system H 2 - CH 4 in porous media Depending on petrophysical and thermodynamic properties, this correlation is valid for typical subsurface conditions Implementation of the correlation in the open-source simulator DuMux for reproduction and validation purposes [ABSTRACT FROM AUTHOR]

Rehydration of dairy powders is a complex and essential process. A relatively new quantitative mechanism for monitoring powders' rehydration process uses the effective diffusion coefficient. This research focused on modifying a previously used labor-intensive method that will be able to automatically measure the real-time water diffusion coefficient in dairy powders based on confocal microscopy techniques. Furthermore, morphological characteristics and local hydration of individual particles were identified using an imaging analysis procedure written in Matlab©—R2023b and image analysis through machine learning algorithms written in Python™-3.11. The first model includes segmentation into binary images and labeling particles during water diffusion. The second model includes the expansion of data set selection, neural network training and particle markup. For both models, the effective diffusion follows Fick's second law for spherical geometry. The effective diffusion coefficient on each particle was computed from the dye intensity during the rehydration process. The results showed that effective diffusion coefficients for water increased linearly with increasing powder particle size and are in agreement with previously used methods. In summary, the models provide two independent machine measurements of effective diffusion coefficient based on the same set of micrographs and may be useful in a wide variety of high-protein powders. [ABSTRACT FROM AUTHOR]

Purpose: Accelerate multislice 2D MRI by using RF pulses that simultaneously act on different slices to combine contrast preparation and image acquisition. Theory and Methods: MRI applications often require the use of multiple RF pulses to generate desired contrast and prepare the signal for readout. Examples are the use of inversion prepulses to generate T1 contrast, or the use of spin‐echo preparations to generate T2 or diffusion contrast. In multislice MRI, this separation of contrast preparation and readout can render scans time‐inefficient and lengthy. We introduce a class of pulse sequences that overcomes this inefficiency by combining contrast preparation and signal readout. This is accomplished by using RF pulses that manipulate the magnetization of multiple slices simultaneously and a gradient crusher scheme that selects a target slice for readout. Results: Feasibility of the method was demonstrated for spin echo–based measurement of water diffusion and tissue pulsation in human brain at 3 T. Increases in time‐efficiency and reductions in scan time were highly dependent on specific implementation and reached as high as 25% and 53%, respectively. Conclusion: A novel approach to multislice MRI is demonstrated that reduces scan time for specific applications. [ABSTRACT FROM AUTHOR]

Explicit phenomenological solutions to recurrence relations for the bulk transverse and longitudinal magnetization found using the Torrey–Bloch equations with relaxation effects are used to investigate nuclear magnetic resonance (NMR) diffusion measurements. Of particular interest are steady state NMR (self-)diffusion measurements that reduce experimental time that can extend the techniques to quickly reacting systems. The solutions for bulk transverse and longitudinal magnetization presented here are used to investigate the average behavior of the transverse and longitudinal magnetization in forming a steady state and are used to derive new expressions for the steady state longitudinal magnetization. These solutions can be applied to a noninteracting spin 1/2 ensemble undergoing free diffusion exposed to an arbitrary NMR pulse sequence containing arbitrary magnetic field gradient waveforms. The closed algebraic form method presented here has an advantage over iterative procedures for calculating transverse and longitudinal magnetization for the analysis and development of steady state pulse sequences. Previous theoretical results for steady state diffusion measurements are also reproduced. The Mathematica code for these solutions is provided in the supplementary material. [ABSTRACT FROM AUTHOR]

Moisture migration in pavement leads to the loss of strength of asphalt mixture. However, moisture profile measurement inside of the mixture can be challenging. In this paper, a new experimental method is proposed to measure the moisture profile; this method is based on the principle that white anhydrous copper sulfate powder turns blue with water. The influences of asphalt content, gradation, indoor compaction, temperature and pressure on moisture diffusion depth and strength loss are also discussed. The results show that the proposed method successfully reveals the moisture profile of the asphalt mixture. High temperature and pressure accelerate the moisture diffusion process. A large filler-bitumen ratio and high content of coarse aggregate result in a large diffusion depth. The rolling compacted mixture demonstrates better resistance to moisture diffusion than the Marshall mixture. It is inferred that the rainfall's influence on the asphalt layer is mainly within a depth of 23 mm below the surface. The strength attenuation of asphalt mixture after damage is mainly affected by compaction method and external pressure, while filler-bitumen ratio affects the attenuation trend of the mixture strength. The proposed method in this paper has the advantages of easy operation and in-field application potential. [ABSTRACT FROM AUTHOR]

Chloride diffusion is a critical precursor to corrosion of steel reinforcement in concrete structures. The current standard method for estimating chloride diffusion coefficients involves destructive chemical analysis. This work investigates the feasibility of Prompt Gamma Activation Analysis (PGAA) for in-situ determination of chloride distribution in an intact concrete cylinder which has a chloride diffusion depth profile. The profile thus obtained is in good agreement with the result of the chemical analysis of the profile in a duplicate cylinder. This is a first such direct comparison to our knowledge. A diffusion coefficient can be extracted from the profiles for further evaluation. [ABSTRACT FROM AUTHOR]

The economics and safety of reactors can be affected by the diffusion of fission products into graphite. Xenon (Xe) fission products diffusing into graphite is the most critical neutron absorber and poison that can slow down or stop the chain reaction. The transport parameters for inhibiting the xenon diffusion in graphite are therefore an important scientific problem. Self-sintered nanopore-isotropic (~40 nm) graphite (SSNG) derived from green pitch coke can decrease Xe diffusion into graphite. In this study, the surface morphology and microstructural evolution in graphite before and after irradiation, as well as after annealing, were studied with different characterization methods. A method for the measurement of diffusion coefficients of fission products' diffusion in graphite using Rutherford backscattering spectrometry (RBS) was also reported. The SSNG substrates were implanted with Xe at a dose of 4.8 × 1015 ions/cm2 and energy of 7 MeV. The RT-implanted samples were annealed in a vacuum at 650 °C for 9 h. The implanted and annealed samples were characterized using RBS. The diffusion coefficient D (Xe, 650 °C) was 6.49 × 10−20 m2/s. The results indicate SSNG's excellent ability to inhibit Xe diffusion and are significant for designing and evaluating the safety of nuclear reactors. [ABSTRACT FROM AUTHOR]

Objectives: Development of a protocol for validation and quality assurance of filter-exchange imaging (FEXI) pulse sequences with well-defined and reproducible phantoms. Materials and methods: A FEXI pulse sequence was implemented on a 7 T preclinical MRI scanner. Six experiments in three different test categories were established for sequence validation, demonstration of the reproducibility of phantoms and the measurement of induced changes in the apparent exchange rate (AXR). First, an ice–water phantom was used to investigate the consistency of apparent diffusion coefficient (ADC) measurements with different diffusion filters. Second, yeast cell phantoms were utilized to validate the determination of the AXR in terms of repeatability (same phantom and session), reproducibility (separate but comparable phantoms in different sessions) and directionality of diffusion encodings. Third, the yeast cell phantoms were, furthermore, used to assess potential AXR bias because of altered cell density and temperature. In addition, a treatment experiment with aquaporin inhibitors was performed to evaluate the influence of these compounds on the cell membrane permeability in yeast cells. Results: FEXI-based ADC measurements of an ice–water phantom were performed for three different filter strengths, showed good agreement with the literature value of 1.099 × 10–3 mm2/s and had a maximum coefficient of variation (CV) of 0.55% within the individual filter strengths. AXR estimation in a single yeast cell phantom and imaging session with five repetitions resulted in an overall mean value of (1.49 ± 0.05) s−1 and a CV of 3.4% between the chosen regions of interest. For three separately prepared phantoms, AXR measurements resulted in a mean value of (1.50 ± 0.04) s−1 and a CV of 2.7% across the three phantoms, demonstrating high reproducibility. Across three orthogonal diffusion directions, a mean value of (1.57 ± 0.03) s−1 with a CV of 1.9% was detected, consistent with isotropy of AXR in yeast cells. Temperature and AXR were linearly correlated (R2 = 0.99) and an activation energy EA of 37.7 kJ/mol was determined by Arrhenius plot. Furthermore, a negative correlation was found between cell density (as determined by the reference ADC/fe) and AXR (R2 = 0.95). The treatment experiment resulted in significantly decreased AXR values at different temperatures in the treated sample compared to the untreated control indicating an inhibiting effect. Conclusions: Using ice–water and yeast cell-based phantoms, a protocol for the validation of FEXI pulse sequences was established for the assessment of stability, repeatability, reproducibility and directionality. In addition, a strong dependence of AXR on cell density and temperature was shown. As AXR is an emerging novel imaging biomarker, the suggested protocol will be useful for quality assurance of AXR measurements within a study and potentially across multiple sites. [ABSTRACT FROM AUTHOR]