Asphaltene precipitation and deposition pose significant operational challenges in both reservoirs and surface facilities by inducing formation damage. To understand the kinetics involved in asphaltene particle nucleation, growth, and aggregation, this study employed confocal microscopy and centrifuge-based methods under a unified set of experimental parameters. The acquired time-resolved particle size images were analyzed using MIPAR image processing software, while asphaltene mass yield was quantitatively evaluated through centrifugation. Experimental conditions were varied to study the effects of heptane concentration, asphaltene concentration, and shear rate. Notably, this investigation introduces, for the first time, the parameter of particle count as an additional variable influencing asphaltene mass production. This study aims to discern how particle count correlates with asphaltene mass yield over time. Results indicate that the minimum mean particle diameter was observed to be 2 microns, which progressively grew up to 80 microns. The mean particle diameter exhibited a positive correlation with both asphaltene concentration and shear rate, whereas an inverse correlation was seen with heptane concentration. Furthermore, the asphaltene mass yield was found to increase with greater asphaltene and heptane concentrations, as well as with higher shear rates. The relationship between mean particle diameter and mass yield was found to be nonlinear. In the early stages, a higher prevalence of small particles contributed to a greater total particle count, while at later stages, particle aggregation led to the formation of larger particles that influenced the overall asphaltene mass. The insights gained from understanding the relationship between particle diameter, count, and mass yield are crucial for advancing the fundamental science of asphaltene precipitation and deposition. These findings may also guide future research that relies solely on particle counts for assessing asphaltene deposition.

The grain-to-grain stress vertically in sediments is given by the overburden less the pore fluid pressure, σ, divided by the fraction of the horizontal area which is the supporting matrix , (1 − φ), where φ is the porosity. It is proposed that the fractional reduction of this ratio, Λ, with time is given by the product of φ 4m/3 , (1 − φ) 4n/3 , and one or more Arrhenius functions A exp(−E/RT ) with m and n close to 1. This proposal is tested for shale sections in six wells from around the world for which porosity-depth data are available. Good agreement is obtained above 30-40 C and porosities less than 0.5. Single activation energies for each well are obtained in the range 15-33 kJ/mole, close to pressure solution of quartz, 24 kJ/mol. Values of m and n are in the range 1 to 0.8, indicating nearly fractal pore-matrix spaces and water-wet interfaces. Results are independent of over- or under-pressure of pore water. This model explains shale compaction quantitatively. Given porosity-depth data and accurate activation energy, E, one can infer paleo-geothermal-gradient and from that organic maturity, thus avoiding unnecessary drilling.

The objective of this study was to investigate the impact of athletes' respiratory muscle strength, as assessed through maximal inspiratory (MIP) and expiratory pressure (MEP), on aerobic endurance, as indicated by maximal oxygen consump-tion (Max VO2) kinetics. Respiratory muscle strength was assessed using a digital spirometer (Pony FX Cosmed, Italy), while maximal oxygen utilization capacity was measured using a breath-by-breath automatic portable gas analysis system (Cosmed K5, Italy). Statistical analysis was conducted utilizing SPSS 22.0. Based on the standardized regression coefficients (β), it was found that MEP (mean ± SD: 130.95 ± 42.82) and inspiratory diaphragmatic circumference values significantly influenced ventilatory equivalent (VE), oxygen consumption (VO2), and carbon dioxide pro-duction (VCO2). Conversely, the remaining predictor variables did not exhibit a sig-nificant effect on VE (mean ± SD: 134.80 ± 36.69), VO2 (mean ± SD: 3877.52 ± 868.47 ml), and VCO2 (mean ± SD: 4301.27 ± 1001.07 ml). In contrast, measurements of chest circumference (mean ± SD: 91.40 ± 10.72 cm), MEP, and diaphragmatic cir-cumference during inspiration (mean ± SD: 95.20 ± 10.21 cm) were found to signifi-cantly impact Max VO2 (mean ± SD: 58.52 ± 10.74 ml/kg/min), while the other pre-dictor variables did not demonstrate a significant effect on Max VO2. Conclusively, the study revealed that measured values of diaphragmatic circumference during inspiration and MEP exerted a notable influence on Max VO2, VE, VO2, and VCO2. Our findings underscore the importance of considering respiratory muscle strength in assessing and enhancing athletes' aerobic performance. These insights contribute to a deeper understanding of the interplay between respiratory function and exercise capacity, offering potential avenues for optimizing training regimens and perfor-mance outcomes in athletic contexts.

From the theory of relativistic chemical kinetics [M. W. Baig, Int. J. Mod. Phys. B 31, 1750177 (2017)] relativistic thermodynamics and kinetics for electrode processes have been developed to explain time dilation for electrode processes. For a moving observer moving at fractions of the speed of light, cell potential is observed to decrease. This results in the slower oxidation and reduction of ions at the respective electrodes. The newly formulated Lorentz transformation of the electrode and cell potential is explained in terms of generation of spin 2-boson “gravitons” from fusion of spin-1 boson “virtual-photons” mediating electrostatic force of attraction between ions and electrodes. It is postulated that birth of spin 2-boson i.e. gravitons is followed by their eventual escape in any of higher 4+n dimensions. To demonstrate the effectiveness of the present theory, the Daniel cell is considered as a numerical example.

In the context of the COVID-19 epidemic, and on the basis of the Theory of Dynamical Systems, we propose a simple model for the expansion of contagious diseases, with a particular focus on viral respiratory tracts. The infection develops through contacts between contagious and exposed people, with a rate proportional to contact duration and turnover, inversely proportional to the efficiency of protection measures, and balanced by the average immunological response. The obvious initial exponential increase is readily hindered by the size reduction of the exposed population. The system converges towards a stable attractor whose value is expressed in terms of the ratio C/D of contamination vs decay factors. Decreasing this ratio below a critical value leads to a tipping point beyond which the epidemic is over. By contrast, significant values of C/D may bring the system through a bifurcating hierarchy of stable cycles up to a chaotic behaviour.

Turner syndrome (TS) is caused by a complete or partial absence of an X or Y chromosome, including chromosomal mosaicism, affecting 1 in 2,500 female live births. Sister chromatid exchange (SCE) is used as a sensitive indicator of spontaneous chromosome instability. Cells from mosaic patients constitute useful material for SCE evaluations as they grow under the influence of the same genetic background and endogenous and exogenous factors. We evaluated proliferation dynamics and SCE frequencies of 45,X and 46,XN cells of 17 mosaic TS patients. In two participants, 45,X cells exhibited a proliferative disadvantage in relation to 46,XN cells after 72h of cultivation. The analysis of mean PI showed significant differences between 45,X and 46,XN lineages; however there were no intraindividual differences. On the other hand, mean SCE frequencies showed no differences between the two lineages, but there were intraindividual differences in 5 patients. The absence of mean SCE frequency differences between 45,X and 46,XN lineages may indicate that both were equally unstable, as more than 70% of the 46,XN lineages had an anomalous karyotype. However, 46,XN had a higher mean PI, suggesting that the amount of cells with a karyotype distinct from 45,X may increase with time in mosaic TS women.

The results of the study of the influence of the size of cylindrical samples of A5N aluminum on the time and rate of their cooling are presented. According to experimental data, the temperature dependence of the heat transfer coefficient for pure metals is calculated. It revealed that the process of cooling of the aluminium and its alloys has a relaxation behavior. It has found that the main mechanisms of natural air cooling are convection heat transfer and radiation. The characteristic cooling time due to radiation is less than due to convection. The contribution of thermal radiation is noticeable at high temperatures. It was found that the characteristic times of cooling due to radiation and convection increase with increase in volume to area ratio of the sample.

There was a question on “how lanthanides doping in iron oxide affects cure kinetics of epoxy-based nanocomposites?” To answer, we synthesized samarium (Sm)-doped Fe3O4 nanoparticles via electrochemical method and characterized it using FTIR, XRD, FE-SEM, EDX, TEM, and XPS analyses. The magnetic particles were uniformly dispersed in epoxy resin to increase the curability of the epoxy/amine system. The effect of the lanthanide dopant on the curing reaction of epoxy with amine was explored by modeling DSC experimental data based on model-free methodology. It was found that Sm3+ in the structure of Fe3O4 crystal participates in cross-linking of epoxy by catalyzing the reaction between epoxide rings and amine groups of curing agents. In addition, the etherification reaction of active OH groups on the surface of nanoparticles reacts with epoxy rings which prolongs the reaction time at the late stage of reaction where diffusion is the dominant mechanism.

Master equations define the dynamics that govern the time evolution of various physical processes on lattices. In the continuum limit, master equations lead to Fokker-Planck partial differential equations that represent the dynamics of physical systems in continuous spaces. Over the last few decades, nonlinear Fokker-Planck equations have become very popular in condensed matter physics and in statistical physics. Numerical solutions of these equations require the use of discretization schemes. However, the discrete evolution equation obtained by the discretization of a Fokker-Planck partial differential equation depends on the specific discretization scheme. In general, the discretized form is different from the master equation that has generated the respective Fokker-Planck equation in the continuum limit. Therefore, the knowledge of the master equation associated with a given Fokker-Planck equation is extremely important for the correct numerical integration of the latter, since it provides a unique, physically motivated discretization scheme. This paper shows that the Kinetic Interaction Principle (KIP) that governs the particle kinetics of many body systems, introduced in [G. Kaniadakis, Physica A 296, 405 (2001)], univocally defines a very simple master equation that in the continuum limit yields the nonlinear Fokker-Planck equation in its most general form.

The present study aimed to investigate the effect of cold deformation on the precipitation kinetics of a binary CuSc alloy containing 0.4 wt.% scandium using the experimental analysis method of differential scanning calorimetry (DSC). Non-deformed and 75% cross-section reduced cold-rolled, supersaturated specimens were tested at non-isothermal DSC runs at up to five different heating rates. The DSC results showed that cold deformation significantly accelerated the precipitation process in the binary alloy, leading to a decrease in the initial and peak temperatures of the exothermic reactions. The activation energies calculated with the Kissinger method, indicated that the precipitation activation energy decreased with increasing cold deformation. The findings of this study provide worthy implications to further optimize the processing of Cu-Sc alloys with improved mechanical properties.

In this study, 12 organic waste materials were subjected to TG/DTG thermogravimetric analysis and DSC calorimetric analysis. These analyses provided basic information about thermochemical transformations and degradation rates during organic waste pyrolysis. Waste materials were chosen to cover the most abundant waste that can be found in the municipal solid waste stream. Based on TG results, kinetic parameters according to Coats–Redfern method were determined. The pyrolysis activation energy was the highest for cotton 134.5 kJ∙(mol∙K)-1 and the lowest for leather 25.2 kJ∙(mol∙K)-1. The DSC analysis showed number of transformations occurred during pyrolysis for each material. For each transformation, normalized energy required for transformation, or released during transformation were determined and then summarized to present energy balance. The study found that only for three waste materials: PET (-220.1 J⸱g-1), leather (-66.9 J⸱g-1), and chicken meat (-130.3 J⸱g-1) energy balance was negative, while the highest positive balance value was found for potato peelings (367.8 J⸱g-1). The obtained results may be applied for the modelling of energy and mass balance of municipal solid waste pyrolysis.

The reaction kinetics of burnt lime (CaO) in contact with sea water has been elucidated and compared to its behaviour in fresh water. In the first minutes of contact between burnt lime and water, it "slaked" as CaO reacted with water to yield calcium hydroxide (Ca(OH)2). Subsequently, calcium hydroxide reacted with magnesium, sulphate and carbonate from the sea water to yield magnesium hydroxide (Mg(OH)2), calcium sulphate dihydrate (gypsum, CaSO4·2H2O) and calcium carbonate (CaCO3), respectively. In a closed system of 1% CaO in natural sea water (where the supply of sulphate, magnesium and carbonate is limited), more than 90% reacted within the first 5 hours. It is foreseen that in an open system, like a marine fjord, it will react even faster. The pH 8 of sea water close to the CaO particle surface will immediately increase to a theoretical value of about 12.5 but will, in an open system with large excess of sea water, rapidly fall back to pH 10.5 being equilibrium pH of magnesium hydroxide. This is further reduced to < 9 due to the common ion effect of dissolved magnesium in sea water and then be diluted to the sea water background pH, about 8. Field test dosing CaO particles to sea water showed that the pH of water between the particles stayed around 8.

In an attempt to correct misunderstandings this article brings together the observations on Calcium, Myosin Binding Protein-C and Hypertrophic Cardiomyopathy in the basic function of cardiac muscle. A finding of many years ago is reiterated in a novel enzyme kinetic format with defined rate limiting step which makes CaATP the apparent substrate of the actomyosin cross-bridge. The relationship of these kinetics to recent observations on disruption of myosin binding protein-C is described along with how this bears on the understanding of the related cardiomyopathies.

Weathering and erosion transport minerals and organics toward the sea or lake bottoms over geologic time. The finest solids are deposited in lower, less turbulent areas, such as lake bottoms and continental shelves. They sometimes stack up to thicknesses of kilometers, and begin compacting. These sediment sections are called shales, and as initially deposited in water, shales can have porosities up to 50-80{\%} water, As they are buried, many alteration products from oil to slate are produced due to overburden and temperature increasess, making them important to study. A preceeding paper \cite{1} showed that pressure solution is the primary mechanism for porosity reduction, with possible mechanical compaction at shallow depths. Without naming the mineral(s) involved, it postulated that the greater the product of the water and pore interfaces, the faster the reaction would proceed. This term is $ \varphi^{4m/3}(1-\varphi)^{4n/3}$ , where $\varphi$ is porosity and m and n are numbers close to unity. The large exponents, {\em 4/3}, recognize that the reaction occurs at the molecular scale at which the surfaces are rough. A second term, $\exp^{(-E/RT)}$ , indicates that the reaction is impeded by a quantum energy barrier, E, with diminished impeding power as increased available thermal energy, represented by the absolute temperature, T, becomes available at greater depths in the Earth. These two factors combine to allow porosity $\varphi$ to reduce with time, or equivalently for the fraction of solids, $(1-\varphi)$, to increase with time,$\left. \frac{\partial(ln(1-\varphi) ) }{\partial t } \right |_{\sigma} = (\varphi )^{4m/3}( 1-\varphi )^{4n/3}Ae^{-E/(RT)}$. { \em Here it is shown that this equation can cover quantitatively any actual deposition rates which may have been experienced by the six sections studied, the actual deposition rates being unknown for these cases. Hence a time-depth depositional history for any new shale section, known in detail, would allow determination of the parameters m, n, E and a lumped proportionality constant A. This was accomplished by showing that, for a wide range of depositional rates, r, the range of E for any of the studied sections is small compared to laboratory measurements of quartz solution\cite{2}, 24+-15kJ/mol. Results were obtained over this range of r's using the previously determined m and n, and porosity and temperature profiles. The presently existing porosity profiles necessarily incorporate any overpressure or underpressure conditions that may have existed in the past or currently, as the net difference between overburden and pore pressure is a primary driving force for pressure solution. $SiO_2$ usually comprises 20-50{\%} of shales. In conclusion, pressure solution of quartz can account for vertical compaction of shales quantitatively in the studied examples. Separately, a quasi-eqivalent method for discussing reduced porosities in Macron 2 versus Macron 1 as increased vertical stress, rather than additional horizontal stress, is illustrated. Experiments are suggested to clarify the pressure solution mechanism. The role of horizontal forces is discussed. From a global point of view, shale compaction by pressure solution is a quantified step in the cycling of continental rocks, beginning with rifting.

A model for cell proliferation in developmental fields is derived from information theory using a few biological postulates. The model provides an explanation for the success of the Gompertz equation in describing the growth of embryonic, neoplastic, and regenerative systems. Although this equation has been applied to many growth phenomena, its use has been entirely empirical. A theoretical justification for the use of the Gompertz equation in characterizing developmental processes is presented. The model also accounts for a reported relationship among the parameters of the Gompertz equation. A method for quantification and comparison of the determination of developmental fields at different levels of organization is suggested.

Prior studies have focused on the overall behavior of randomly moving particle swarms. However, the characteristics of ubiquitous special particle swarms that form in these swarms remain unknown. This study demonstrates a generalized diffusion equation for randomly moving particles that considers the velocity and location aggregation effects in a special circumstance (that is, in a moving reference frame R_u relative to a stationary reference frame R₀). This equation can be approximated as the Schrodinger equation in the microcosmic case and describes the kinetics of the total mass distribution in the macrocosmic case. The predicted density distribution of the particle swarm in the stable aggregation state is consistent with the total mass distribution of massive, relaxed galaxy clusters (at least in the range of r < r_s), preventing cuspy problems in the empirical Navarro-Frenk-White (NFW) profile. This article is helpful for inspiring people to think about the essence of universal gravitation.

Compartmental analysis is the mathematical framework for the modelling of tracer kinetics in dynamical Positron Emission Tomography. This paper provides a review of how compartmental models are constructed and numerically optimized. Specific focus is given on the identifiability and sensitivity issues and on the impact of complex physiological conditions on the mathematical properties of the models.

This study reports a general scenario for the out-of-equilibrium features of collapsing polymeric architectures. We use molecular dynamics simulations to characterize the coarsening kinetics, in bad solvent, for several macromolecular systems with an increasing degree of structural complexity. In particular, we focus on: flexible and semiflexible polymer chains, star polymers with 3 and 12 arms, and microgels with both ordered and disordered networks. Starting from a powerful analogy with critical phenomena, we construct a density field representation that removes fast fluctuations and provides a consistent characterization of the domain growth. Our results indicate that the coarsening kinetics presents a scaling behaviour that is independent of the solvent quality parameter, in analogy to time-temperature superposition principle. Interestingly, the domain growth in time follows a power-law behaviour that is approximately independent of the architecture for all the flexible systems; while it is steeper for the semiflexible chains. Nevertheless, the fractal nature of the dense regions emerging during the collapse exhibits the same scaling behaviour for all the macromolecules. This, suggests that the faster growing length scale in the semiflexible chains originates just from a faster mass diffusion along the chain contour, induced by the local stiffness. The decay of the dynamic correlations displays scaling behavior with the growing length scale of the system, which is a characteristic signature in coarsening phenomena.

The alcoholic fermentation process with agitation/static, followed by the acetic fermentation submerged in banana was evaluated. Kinetics parameters of alcoholic fermentation for the maximum ethanol/glycerol metabolites in agitated process was 29 and 27 h, and in static 47 and 45 h, respectively. For acetic fermentation, the kinetics parameters were medium time of 39.9 h, acetic acid yield of 53.1% and acetic acid productivity of 0.216 g/Lh. Wines from agitated/static process presented 5.73 and 6.81% (v/v) of alcohol content, respectively. Wine obtained by the static process presented higher concentrations of volatile compounds. The vinegar showed 49.2 g/L of acetic acid and the esters concentrations were higher than in wine. The wine and vinegar minerals were consistent with amount observed in the pulp, with an increase in sulphur concentration after alcoholic fermentation and decrease after acetic fermentation. Products showed chemical and composition of sensory and nutritional interest.

Although composting has many advantages in the treatment of organic waste, there are still many problems and challenges associated with emissions, like NH3, VOCs, and H2S, as well as greenhouse gases such as CO2, CH4, and N2O. One promising approach to enhancing composting conditions is used of novel analytical methods bad on artificial intelligence. To predict and optimize the emissions (CO, CO2, H2S, NH3) during composting process kinetics thought mathematical models (MM) and machine learning (ML) models were utilized. Data about everyday emissions from laboratory composting with compost’s biochar with different incubation (50, 60, 70 °C) and biochar doses (0, 3, 6, 9, 12, 15% d.m.) were used for MM and ML models selections and training. MM has not been very effective in predicting emissions, (R2 0.1 - 0.9), while ML models such as acritical neural network (ANN, Bayesian Regularized Neural Network; R2 accuracy CO:0,71, CO2:0,81, NH3:0,95, H2S:0,72)) and decision tree (DT, RPART; R2 accuracy CO:0,693, CO2:0,80, NH3:0,93, H2S:0,65) have demonstrated satisfactory results. For the first time the ML models to predict CO and H2S during composting were demonstrated. Further research in a semi-scale and field study composting with biochar is needed to improve the accuracy of developments models.

Lactic acid production from lactose by Lactiplantibacillus plantarum AC 11S was studied. The influence of initial substrate concentration was investigated, and optimal pH and temperature were determined. An unstructured mathematical model was developed comprising equations for bacterial growth, substrate consumption, and product formation. The model was solved with different terms for specific growth rates considering substrate and/or product inhibition. The best bacterial growth and lactic acid production were achieved at pH = 6.5 and 30 oC. Production of lactic acid was mainly growth-associated and at substrate concentration over 15 g/L a considerable product inhibition was observed. The parameters of different models were determined and compared. While the modified Gompertz equation gave the best fit for biomass growth, a variant of the logistic equation including a term for product inhibition described in the best way the entire set of equations comprising bacterial growth, substrate consumption, and product formation at different initial substrate concentrations.

The work presents a mathematical model of a thermogravimetric curve for the growth and simultaneous sublimation of scale on a metal or alloy surface. Reduction of the reaction area as a result of the formation of oxides of alloying elements (for obtaining the basic oxide) is considered for the alloy. For metals, the case where this area is increased as a result of powder metal crushing is also considered. The equations that were obtained are employed to explain the kinetic curves of the mass change of the samples.

The main bottleneck when performing computational fluid dynamics (CFD) simulations of combustion systems is the computation and integration of the highly non-linear and stiff chemical source terms. In recent times, machine learning has emerged as a promising tool to accelerate combustion chemistry, involving the use of regression models to predict the chemical source terms as functions of the thermochemical state of the system. However, combustion is a highly nonlinear phenomenon, and this often leads to divergence from the true solution when the neural network representation of chemical kinetics is integrated in time. This is because these approaches minimize the error during training without guaranteeing successful integration with ordinary differential equation (ODE) solvers. In this work, a novel neural ODE approach to combustion modeling, ChemNODE, is developed to address this issue. The source terms predicted by the neural network are integrated during training, and by backpropagating errors through the ODE solver, the neural network weights are adjusted accordingly to minimize the difference between the predicted and actual ODE solutions. It is shown that even when the dimensionality of the thermochemical manifold is trimmed to remove redundant species, the proposed approach accurately captures the correct physical behavior and reproduces the results obtained using the full chemical kinetic mechanism.

Damage and fibre misalignment of woven fabrics during discontinuous polymer processing remain challenging. To overcome these, a promising switchable elastomeric adherence gripper is introduced here. The inherent surface tackiness is utilized for picking and placing large sheets. Due to the elastomer’s viscoelastic material behavior, the surface properties depend on loading speed and temperature. Different peeling speeds result in different adherence strength of an interface between the gripper and the substrate. This feature is mechanically characterized and the viscoelastic behavior of the stamp is examined. Based on this experimental characterization, an empirical model is proposed. Furthermore, a discussion of the applicability and limitation of the elastomeric gripper is given.

To realize the utilization of peanut shell, this study investigates the combustion behavior, chemical kinetics, and thermodynamic parameters of peanut shell using TGA under atmospheric air. Results indicate that increasing the heating rate leads to higher ignition, burnout, and peak temperatures, as observed in the TG/DTG curves shifting to the right. Analysis of combustion performance parameters suggest that higher heating rates can enhance combustion performances. Kinetic analysis using two model-free methods, KAS and FWO, shows that the activation energy (Eα) ranges from 93.30 to 109.65 kJ/mol for FWO and 89.72 to 103.88 kJ/mol for KAS. The data fit well with coefficient of determination values (R2) close to 1. Pre-exponential factors using FWO range from 2.19×106 to 8.06×107 s–1, and for KAS range from9.72×105 to 2.25×107 s–1. Thermodynamic analysis indicates a low-energy barrier (≤ ±6 kJ/mol) between activation energy and enthalpy changes, suggesting easy reaction initiation. Furthermore, variations in enthalpy (ΔH), Gibbs free energy (ΔG), and entropy (ΔS) upon conversion (α) suggest that peanut shell combustion is endothermic and non-spontaneous, with the generation of more homogeneous or well-ordered products as combustion progresses. These findings offer a theoretical basis and data support for the further utilization of agricultural biomass.

Cathinone is a natural stimulant found in Catha edulis and commonly used in new psychoactive substances. The objective of this study was to examine the disposition kinetics and metabolic profile of cathinone and its metabolite cathine through a single oral dose of cathinone administration in rats. Cathine and cathinone concentrations were identified and quantified using ion trap liquid chromatography (LC-IT/MS), while the metabolic profile was determined using the quadrupole time of flight UPLC-QTOF/MS method in the serum, brain, lung, liver, kidney, and heart over a period of 0, 0.5, 2.5, 6, 12, 24, 48, and 72 hours. The findings revealed a dynamic interplay between the pharmacokinetics of cathinone and its impact on organ-specific biomarkers. The distribution of cathinone and cathine was determined in serum, brain, heart, lung, kidney, and liver. The highest concentration of cathinone was found in the kidney at 1438.6 ug/L. It gradually decreased to 1.97 within 48 hours and disappeared after 72 hours. Within half an hour, cathinone levels in the lungs, liver, and heart were found to be 859, 798.9, and 385.8 ug/L, respectively. However, within 2.5 hours, these levels decreased to 608.1, 429.3, and 309.1 ug/L and kept decreasing until they became undetectable after 24 hours. The concentration of cathinone in the rat brain reduces quickly, dropping to undetectable levels within six hours, with levels decreasing from 712.7 ug/L after just 30 minutes. In the brain and serum, cathine reached its highest levels at 2.5 hours, while in other organs, it peaked at 0.5 hours. This indicates that the conversion of cathinone to cathine is slower in the brain and serum. The study found that cathinone's pharmacokinetics have a significant impact on organ-specific biomarkers. After administering the cathinone, there was a sharp change in biomarker levels, particularly in the liver and brain, during the initial hours. It is essential to investigate the correlation between the changes in biomarkers found in the brain and the levels of cathinone and cathine. The results have significant implications for drug development, pharmacovigilance, and clinical practices involving cathinone. In conclusion, this comprehensive analysis of cathinone's impact on organ-specific biomarkers provides a basis for informed decision-making in medical practices and further research into the cathinone's pharmacological properties.

Gold- and MnO₂- nanozymes are well-known for their enzyme-like activity. In this regard, initially, gold- and MnO₂- nanozymes were synthesized by simple and green methods. Afterward, the kinetic studies were performed using the Michaelis–Menten model for both gold- and MnO₂- nanozymes. The kinetic parameters including K_m and V_max were calculated via the construction of the linear plot of Lineweaver–Burk for both nanozymes. The results showed a V_max and K_m of 185 nM sec^-1 and 47 nM sec^-1 for the gold- and MnO₂- nanozymes, in order. The ratio of V_max(gold)/V_max(MnO₂) was found to be about 4.0 which pointed that the catalytic efficiency of gold-nanozymes is 4.0-fold higher than the catalytic efficiency of MnO₂- nanozymes. The K_m value was found to be 0.72 mM and 1.6 mM for the as-prepared gold- and MnO₂- nanozymes, respectively, and the K_m of MnO₂-nanozymes is 2.2-fold higher than that of gold nanozymes. Since the Km shows the affinity of substrate for binding to nanozyme active nodes (lower K_m=higher affinity), it is consultable that the substrate affinity toward MnO₂-nanozymes is 2.2-fold lower than that of the gold-nanozymes. Considering the above results, the as-prepared gold nanozymes are very stronger peroxidase-like mimics than the metal oxide MnO₂-nanozymes.

Amid global energy challenges, hydrogen evolution reaction (HER) is gaining traction for green hydrogen production. While catalyst research is ongoing, recognizing electrolyte effects remains crucial for sustainable hydrogen production via renewable-powered water electrolysis. This review delves into the intricate effects of electrolytes on the kinetics of HER. It examines key factors, including pH, cations, anions, impurities, and electrolyte concentration. It is discussed that electrolyte pH alters catalyst-electrolyte interactions and proton concentrations, thereby influencing factors such as hydrogen binding energy, water adsorption, and the overall reaction kinetics. Moreover, it is briefed that electrolyte cations, such as Li+, can impact HER positively or negatively, offering opportunities for improvement based on the metal substrate. Interestingly, there is a potential that HER can be tuned using Li+ ions to modify M-H bond energy, demonstrating flexibility beyond pH levels and counter ions. Varied adsorption energies of metal cations on metal electrodes are also found to influence HER kinetics. The effects of electrolyte anions and impurities are also discussed, emphasizing both positive and negative impacts on HER kinetics. Moreover, it is pointed out that the electrolyte engineering approach enhances the HER kinetics of both metal and carbon-based electrodes without permanent catalyst surface modifications. This review underscores the importance of electrolyte composition, highlighting both challenges and potential solutions in advancing HER research for sustainable energy production.

Lower extremity joint kinetic factors are thought to modulate walk–to–run transition (WRT) and run–to–walk transition (RWT). This study aimed to investigate joint stiffness and energetic patterns during the WRT and RWT processes and identify whether gait transitions occurred within a single step or not. Ten healthy subjects participated in treadmill WRT (1.8 m/s – 2.4 m/s) and RWT (2.4 m/s – 1.8 m/s) tests. We investigated two steps before transition (S–2, S–1), two steps after transition (S1, S2) and the transition step (S0). We found significant differences between S2 and S–2 for ankle joint stiffness during WRT and RWT (p &lt; 0.001); and for hip joint stiffness, we found significant differences between S1 and S–1 during WRT and RWT (p ≤ 0.001). Additionally, stance phase mechanical energy generation was observed to transfer from proximal to distal joints at S0 during WRT, and from distal to proximal at S0 during RWT. Transition step ankle kinematic and kinetic patterns were similar to the target locomotion task gait format in both WRT and RWT. Moreover, RWT required longer adaptation time compared with WRT. These findings indicate that WRT and RWT were modulated before and after the actual transitions, not within a single step. Redistribution of joint mechanical work generation was related to gait transition triggers, which modulate the WRT and RWT process.

Molybdenum tailings powder (MTs) is an industrial waste that contains more than 85% contents of SiO2, Al2O3, CaO, and Fe2O3. Therefore, MTs has the potential pozzolanic activity and can be used as a mineral admixture in cementitious materials. In order to understand the influence of MTs as an admixture on the cement hydration process, the hydration heat and hydration kinetics of the composite cementitious materials (CCMs) were investigated by an isothermal calorimeter and the Krstulovic-Dabic model. Furthermore, the influences of fly ash (FA), slag (SL) and MTs on hydration heat at the same content were compared and analyzed. Results show that proper amount of MTs can promote the hydration of CCMs. When the content of MTs is not more than 15%, the second exothermic peak of CCMs appears earlier and the peak heat release increases. However, when the content of MTs exceeds 15%, the second exothermic peak of CCMs is delayed and the peak heat release decreases. The cumulative heat release of CCMs gradually decreases with an increasing content of MTs. When the replacement of MTs, FA, and SL is 15% respectively, the addition of MTs enhances the second exothermic peak of CCMs compared to FA and SL. The final heat release of MTs is higher than that of FA, but lower than that of SL. The hydration process of CCMs undergoes three stages: nucleation and crystal growth (NG), interactions at phase boundaries (I), and diffusion (D). The incorporation of MTs shortens the NG stage and I stage.

By utilizing a generalized version of the Madelung quantum-hydrodynamic framework that incorporates noise, we derive a solution using the path integral method to investigate how a quantum superposition of states evolves over time. This exploration seeks to comprehend the process through which a stable quantum state ultimately emerges in the presence of fluctuations induced by the noisy gravitational background. The model defines the conditions that give rise to a limited range of interaction for the quantum potential, allowing for the existence of coarse-grained classical descriptions at a macroscopic level. The theory uncovers the smallest attainable level of uncertainty in an open quantum system and examines its consistency with the localized behavior observed in large-scale classical systems. The research delves into connections and similarities with decoherence theory and the Copenhagen interpretation of quantum mechanics. Additionally, it assesses the potential consequences of wave function decay on the measurement of photon entanglement. To validate the proposed theory, an experiment involving entangled photons transmitted between detectors on the Moon and Mars is discussed. Finally, the findings of the theory are applied to the creation of larger Q-bits systems at elevated temperatures.

Heat-treated aluminum-silicon (Al-Si)-based alloys have dominated the cast lightweight alloy industry for several decades. However, in the last decade, Al-Ce-based alloys have shown promise in replacing Al-Si alloys due to their ability to remove the need for costly heat treatments. Since the properties of Al-Ce alloys depend on the as-cast microstructure, it is important to characterize the solidification kinetics of these alloys. Therefore, this study focused on characterizing the solidification of a near eutectic Al-Ce alloy with additions of Ni and Mn. The alloy was cast in a wedge mold configuration, resulting in cooling rates between 0.18 and 14.27 °C/s. SEM coupled with EDS and DSC techniques characterized the evolution rate of solid phases. The SEM/EDS data revealed that an Al10CeMn2 phase is present at higher cooling rates. At lower cooling rates, near the center of the casting, a proeutectic Al23Ce4Ni6 phase was more present. It was observed that up to 2.6 at. % of Mn was dissolved in this proeutectic Al23Ce4Ni6 phase, thereby removing a large portion of the available Mn for forming the Al10CeMn2 phase. DSC analysis showed differences in the samples' liquidus temperatures which is indicative of compositional variations. Inductively coupled plasma atomic emission spectroscopy (ICP-OES) and Scheil solidification simulations correlated the compositional differences to phase formation, which agreed with the SEM and DSC results. This experimentation provides insight into novel Al-Ce-Ni-Mn alloys and where their potential lies in industrial applications.

Biological systems are highly regulated. They are also highly resistant to sudden perturbations enabling them to maintain the dynamic equilibrium essential for sustenance of life. This robustness is conferred by regulatory mechanisms that influence the activity of enzymes/proteins within their cellular context, to adapt to changing environmental conditions. However, the initial rules governing the study of enzyme kinetics were tested and implemented for mostly cytosolic enzyme systems that were easy to isolate and/or recombinantly express. Moreover, these enzymes lacked complex regulatory modalities. Now, with academic labs and pharmaceutical companies turning their attention to more complex systems (for instance, multi-protein complexes, oligomeric assemblies, membrane proteins and post-translationally modified proteins), the initial axioms defined by Michaelis-Menten (MM) kinetics are rendered inadequate and the development of a new kind of kinetic analysis to study these systems is required. The current review strives to present an overview of enzyme kinetic mechanisms that are atypical and, oftentimes, do not conform to the classical MM kinetics. Further, it presents initial ideas on the design and analysis of experiments in early drug-discovery for such systems, to enable effective screening and characterisation of small-molecule inhibitors with desirable physiological outcomes.

Puerarin (PUE) is a compound isolated from the roots of Pueraria lobata. We studied the pharmacokinetics and tissue distribution kinetics of PUE in Sprague-Dawley rats following intraperitoneal administration of three concentrations. Indirect competitive ELISA based on an anti-PUE monoclonal antibody was used to determine the concentration of PUE in the blood, heart, liver, spleen, lung, kidney, hippocampus, cerebral cortex, and striatum. The plasma and tissue distribution kinetic characteristics following a single injection of PUE (20, 40, and 80 mg/kg) were calculated using a non-compartment model. In the high-dose (80 mg/kg) and medium-dose (40 mg/kg) groups, the kinetic profile of PUE in blood and kidney samples showed two absorption peaks, while that of the other tissues showed only one peak. In the low-dose (20 mg/kg) group, there was only one peak, irrespective of the sample type. Pharmacokinetic parameters such as the area under the curve, C_max, and T_max varied according to the administered dose. AUC and C_max values increased dose-dependently. PUE was widely distributed in areas of the brain such as the hippocampus, cerebral cortex, and striatum, providing a foundation for guiding the use of PUE in the treatment of cerebral ischaemic stroke and neurodegenerative diseases.

The microstructural evolution, thermodynamics and kinetics of Mo-21%Tm₂O₃ (mass fraction, %) powder mixtures during ball milling were investigated using X-ray diffraction and transmission electron microscopy. Ball milling induced Tm₂O₃ to be decomposed and then dissolved into Mo crystal. The supersaturated nanocrystalline solid solution of Mo (Tm, O) was obtained after 96 h of ball milling. The elements of Mo, Tm and O were distributed uniformly in the ball-milled particles. Based on the semi-experimental theory of Miedema, a thermodynamic model was developed to calculate the driving force of phase evolution. There was no chemical driving force to form a crystal solid solution of Tm atoms in Mo crystal or an amorphous phase because the Gibbs free energy for both processes was higher than zero. For Mo-21%Tm₂O₃, it was mechanical work, not negative heat of mixing, that provided the driving force to form supersaturated nanocrystalline Mo (Tm, O) solid solution.

The radiation-induced optical absorption at 1.5-5.5 eV (up to the beginning of fundamental absorption) has been analyzed in CVD diamond disks exposed to 231-MeV 132Xe ions with four fluences from 1012 to 3.81013 cm-2. The 5-mm diameter samples (thickness 0.4 mm) were prepared by Diamond Materials, Freiburg (Germany), average grain size at growth site was around 80 m, the range of xenon ions was R= 11.5 m. The intensity of several bands grows with ion fluence thus confirming radiation-induced origin of the defects responsible for these bands. The recovery of radiation damage has been investigated via isochronal (stepwise) thermal annealing procedure up to 650°C, while all spectra were measured at room temperature. Based on these spectra, the annealing kinetics of several defects, in particular carbon vacancies (GR1 centers with a broad band 2 eV) and complementary C-interstitial-related defects ( 4 eV), as well as vacancies located nearby nitrogen substitutional atoms (narrow bands around 2.5 eV) have been constructed. The experimental kinetics have also been analyzed in terms of the diffusion-controlled bimolecular reactions. The migration energies of tentatively interstitial atoms (mobile components in recombination process) are obtained, their dependence on the irradiation fluences is discussed.

Aiming to reveal the kinetic characteristics of ceramic ball grinding of fine magnetite comprehensively, two types of ceramic balls ground with the same filling rate and total weight as steel balls were researched. The results show that the breakage rate of ceramic ball grinding is only half of that of steel ball grinding with the same media filling rate. With the same total media weight and the feed size less than 0.212 mm, the breakage rate of the ceramic ball grinding approaches the steel ball grinding and is 21.43% higher than that of the steel ball grinding. The main crushing form of magnetite changed from impact to abrasion in ceramic ball grinding compared with steel ball grinding, which significantly affected the value of the zero-order output constant a. Consequently, there is a noticeable difference in the variation of the parameter β related to the fines generation rate of the ceramic ball grinding compared with the steel ball grinding.

The kinetic analysis of octogen coating with a polyurethane base containing hydroxyl-terminated polybutadi-ene (HTPB) was investigated using infrared spectroscopy. The coating process involved a solvent method, where octogen and liquid polyurethane were mixed, the solvent was evaporated, and curing took place at an elevated temperature. The ratio of HTPB to diisocyanate was equimolar. Initially, the curing process occurred in the solvent system, followed by further curing in the bulk system. The kinetic analysis was performed using a modified diffusion-autocatalytic model, which includes non-catalytic, autocatalytic, and diffusion compo-nents. This model was compared with others during the bulk reaction and proved to be effective in correcting errors, particularly in the gel time region. Thermodynamic parameters were evaluated using the Arrhenius and Eyring equations. The reaction rate was initially controlled by chemical reactivity, but after the gel time, diffusion became the controlling factor. In the HTPB-TDI system, both the non-catalytic and autocatalytic parts decreased with increasing temperature, while diffusivity increased. It is worth noting that diffusivity is temperature-dependent. Different diisocyanates, namely toluene diisocyanate (TDI), isophorone diisocyanate (IPDI), and hexamethylene diisocyanate (HMDI), were studied, revealing that HMDI exhibited higher reactivi-ty than TDI and IPDI. The catalyst effect on reaction rate HTPB-TDI system is investigated. Catalysts adding (0.1%) to HTPB-TDI system is really decrease their activation energy by efectivity DBTL>FeAA>TPB. Catalyst not change their diffusivity.

Chronoamperometric curves of the oxidation of a ferrocenyl derivative by the potential step showed diffusion controlled-like currents less than the Cottrell's equation at a platinum wire electrode. The lower deviation cannot be explained by the Butler-Volmer heterogeneous kinetics, but was ascribed to the negatively capacitive current associated with the redox reaction. The deviation at the fully oxidized potential corresponds to the non-zero concentration at the electrode surface, which cannot be predicted from the Nernst equation. The Nernst equation expresses the relationship of the potential with the activity at the electrode surface rather than the concentration. The diffusion equation provides the relation of the current with the surface concentration rather than the activity. The negative capacitance or the non-zero concentration may arise from structure formation on the electrode owing to the dipole-dipole interaction, which is similar to the generation of the double layer capacitance including frequency dispersion. On this concept, we derive here expressions for the lowered diffusion-controlled current and the time-dependent surface concentration. The negatively capacitive current shows the time-dependence of t-0.9, which is similar to the decay of the double layer capacitive currents. The surface concentration decays with the t-0.4-dependence.

Chimeric Antigen Receptor (CAR)-T cell immunotherapy revolutionized cancer treatment and consists of the genetic modification of T lymphocytes with a CAR gene, aiming to increase their ability to recognize and kill antigen-specific tumor cells. The dynamics of CAR-T cell responses in patients presents a multiphasic kinetics with distribution, expansion, contraction, and persistence phases. The characteristics and duration of each phase depend on the tumor type, the infused product, and on patient-specific characteristics. We present a mathematical model which describes the multiphasic CAR-T cell dynamics resulting from the interplay between CAR-T and tumor cells, considering patient and product heterogeneities. The CAR-T cell population is divided into functional (distributed and effector), memory, and exhausted CAR-T cell phenotypes. The model is able to describe the diversity of CAR-T cell dynamic behaviors in different patients and hematological cancers as well as their therapy outcomes. Our results indicate that the joint assessment of the area under the concentration-time curve in the first 28 days and the corresponding fraction of non-exhausted CAR-T cells may be considered as potential markers to classify therapy responses. Overall, the analysis of different CAR-T cell phenotypes can be a key aspect for a better understanding of the whole CAR-T cell dynamics.

Abstract: This work for the first time investigated the densification of multi-doping zirconia ceramic body with organic coating powders for solid electrolyte of solid oxide fuel cells via online imaging technology. The densification results show the initial stage plays a key role in the sintering. It can be found the covered organic PVA (polyvinyl acetate) supplies a potential kinetics to the initial densification during sintering. As a result, a kinetic function of densification in the initial stage was suggested. Furthermore, a novel sintering model with six sub-stages is developed for polycrystalline zirconia ceramics. The findings would be a valuable reference for predicting final temperature of sintering, the equivalent strain during the sintering process, as well as optimizing the densification behavior.

In this work we explored how solvents can affect olefin oxidation reactions catalyzed by MCM-bpy-Mo catalysts and whether their control can be made with those players. The results of this study evidenced that polar and apolar aprotic solvents modulated the reactions in different ways. Experimental data showed that acetonitrile (aprotic polar) could hinder largely the reaction rate whereas toluene (aprotic apolar) did not. In both cases product selectivity at isoconversion was not affected. Further insights were obtained by means of neutron diffraction experiments, which confirmed the kinetic data allowing to propose a model based on substrate-solvent crosstalk by means of hydrogen bonding. In addition, the model was also validated in the ring-opening reaction (overoxidation) of styrene oxide towards benzaldehyde, which progressed when toluene was the solvent (reaching 31% styrene oxide conversion) but was strongly hindered when acetonitrile was used instead (reaching only 7% conversion), due to the establishment of H-bonds in the latter. Although this model was confirmed and validated for olefin oxidation reactions, it can be envisaged that it may also be applied to other catalytic reaction systems where reaction control is critical, while widening its use.

Background: Multifunctional nanoparticles are known for their wide range of biomedical applications. Controlling the magnetic properties of these nanoparticles is imperative for various applications, including therapeutic angiogenesis. The study was performed to evaluate the magnetic properties and their control mechanisms by the external magnetic field. Methods: A 100nm magnetic nanoparticle was placed in the magnetic field, and parametrically the magnet field strength and distance was evaluated. Various models of magnetic strength and disposition were evaluated. Magnetic flux density, force/weight, and magnetic gradient strength were the parameters evaluated in electromagnetic computational software. Results: The seven-coil method with three centrally placed coils as Halbach array, and each coil with a flux density of 7 Tesla, and with a coil dimension of 20cmx20cm (square model) of each coil showed a good magnetic strength and force/weight parameters in a distance of 15cm from the centrally placed coil. The particles were then evaluated for their motion characteristics in saline. It showed good displacement and acceleration properties. After that, the particles were theoretically assessed in a similar mathematical model after parametrically correcting the drag force. After application of high drag forces, the particles showed adequate motion characteristics. When the particle size was reduced further, the motion characteristics were preserved even with high drag forces. Conclusion: There is potential for a novel method of controlling multifunctional magnetic nanoparticles using high magnetic fields. Further studies are required to evaluate the motion characteristics of these particles in-vivo and invitro.

In this investigation, polymethyl methacrylate (PMMA) was mixed with cyclic olefin copolymer (COC) because of its hardness, strength, and transparency properties. The results of thermal analysis through TGA and DTG showed that the thermal properties of the alloy are improved using 40% cyclic olefin copolymer. Kinetics of thermal degradation (pyrolysis) of polymers have been studied and analyzed and thermal pyrolysis of polymethyl methacrylate and cyclic olefin copolymer thermoplastic polymer was conducted. The computation of kinetic analysis is measured along with the different methods used to study the kinetics. The activation energy (E) of degradation of studied materials was estimated using Ozawa Flynn and Wall (OFW), Starink and Kissinger’s methods, and evaluation of three kinetic parameters taken appropriate kinetic model in terms of percent change for both types of polymers have been proposed, and finally, simulated curves were compared with the experimental curves. Both mechanisms of degradation for COC and PMMA under nitrogen atmosphere will reflect intramolecular transfer and random scission of the main chain.

Despite the successful introduction of oral cholera vaccines, Zambia continues to experience multiple, sporadic, and protracted cholera outbreaks in various parts of the country. While vaccines have been useful in staying the cholera outbreaks, the ideal window for re-vaccinating individual’s resident in cholera hotspot areas remains unclear. Using a prospective cohort study design, 225 individuals were enrolled, re-vaccinated with two doses of Shanchol™ regardless of previous vaccination and followed-up for 90 days. Bloods collected at baseline before re-vaccination, at day 14 prior to second dosing and subsequently on days 28, 60, and 90. Vibriocidal assay was performed on samples collected at all five time points. Our results showed that anti-LPS and vibriocidal antibody titers increased at day 14 after re-vaccination and decreased gradually at 28, 60 and 90 across all the groups. Seroconversion rates were generally comparable in all treatment arms. We therefore conclude that vibriocidal antibody titers generated in response to re-vaccination still wane quickly irrespective of previous vaccination status. However, despite the observed decline, the levels of vibriocidal antibodies remained elevated over baseline values across all groups, an important aspect for Zambia where there is no empirical evidence as to the ideal time for re-vaccination.

Colombia is the world's leading producer of mild washed arabica coffee and produces 12.6 million bags of green coffee, but at the same time 784,000 tons of waste biomass are dumped in open fields, of which only 5% is recovered or used. The objective of this project was to evaluate the production of platform chemicals from these coffee wastes. To achieve this, biomass characterization was carried out using proximate analysis, ultimate analysis and structural analysis. Hydrothermal valorization was carried out at a temperature range of 120-180 °C (LHW) and 180-260 °C (HTC) for one hour, the platform chemicals obtained were quantified by HPLC-IR, monitored by pH and conductivity, and the solid fraction was characterized by monitoring the functional groups in IR spectroscopy, and elemental analysis. Hydrolysis processes were obtained from 150 °C, production of platform chemicals from 180 °C and maximum concentration at 180 °C-4h, over 200 °C degradation of the products in the liquid fraction starts to take place. Homogeneous basic and acid catalysts were used to improve the yields of the reaction. The kinetics of the hydrolysis of lignocellulosic structures to sugars were also analyzed and described, and reaction orders of 1 (LHW), 3 (HTC) and their respective reaction rate equations were reported.

There is a growing notion that biomass are the best resource to replace the declining fossil fuels, yet both share the long lived human threat: toxic combustion emissions. Among the toxic combustion products is carbon monoxide (CO) that not only causes acute but also chronic ailments. This brief review discusses the solid fuel processing technologies from combustion, thermochemical and biochemical processing to kinetics and thermodynamics including the mechanism for release of CO. It further expounds on the burden that CO has caused England and Wales in the last 25 years. The main gist are the systems that have been developed to minimize human exposure to CO including cooking, heating, catalytic and detection systems. Finally, alternative technologies are discussed that work by changing the chemical nature of solid fuels as a way to minimize CO emissions.

MnO₂ nanoparticles are considered nanozymes with intrinsic peroxidase-like activity and there are several reports on their application in the field of nanozyme-based sensing and detection, however, up to now, there is no report on the investigation of their biochemical and kinetics properties toward enzyme-mediated oxidations. Hence, in this work, the MnO₂ nanozymes were synthesized and characterized with different characterization methods. Thereafter, their biochemical properties including pH stability, thermal stability, and salt stability as well as their kinetics perfromances were evaluated toward n-electron irreversible oxidation of 3,3’-diaminobezedine. The results showed that the as-prepared nanozymes reveal their maximal enzyme-like activity over a wide pH range of 3.0-6.0 at a temperature of 23-25 ℃ toward oxidation of 3,3’-diaminobezedine. Besides, the salt stability studies exhibited that the as-mentioned nanozymes can save their maximal activity over a wide range of high salt concentrations over 3-7 M of NaCl. Moreover, the kinetics studies revealed a K_m as low as 1.6 mM and a V_max as high as 47 nM sec^-1 for the MnO₂ nanozymes toward irreversible oxidation of DAB to produce the brown-colored polyDAB.

Rapid solidification during metal additive manufacturing (AM) leads to non-equilibrium microsegregation, which can result in the formation of detrimental phases and cracking. Most of the microsegregation models, assume a Scheil-type solidification, where the solidification interface is planar and there exists local equilibrium at the interface along with either zero or infinite solute diffusion in the respective participating phases - solid and liquid. This assumption leads to errors in prediction. One has to account for finite solute diffusion and the curvature at the dendritic tip for more accurate predictions. In this work, we compare different microsegregation models that do and do not consider finite diffusion and dendrite tip kinetics against the experiments. We also propose a method to couple dendrite tip kinetics with the diffusion module (DICTRA®) implemented in Thermo-Calc®. The models which accounted for both finite diffusion and dendrite tip kinetics matched well with the experimental data.

Recent in vivo assays of the responses of Rubisco to temperature in C₃ plants have revealed substantial diversity. Three cultivars of soybean (Glycine max L. Merr.), Holt, Fiskeby V, and Spencer, were grown in indoor chambers at 15, 20, and 25 ^oC. Leaf photosynthesis was measured over the range of 15 to 30 ^oC, deliberately avoiding higher temperatures which may cause deactivation of Rubisco, in order to test for differences in temperature responses of photosynthesis, and to investigate in vivo Rubisco kinetic characteristics responsible for any differences observed. The three cultivars differed in the optimum temperature for photosynthesis (from 15 to 30 ^oC) at 400 µmol mol^-1 external CO₂ concentration when grown at 15 ^oC, and in the shapes of the response curves when grown at 25 ^oC. The apparent activation energy of the maximum carboxylation rate of Rubisco differed substantially between cultivars at all growth temperatures, as well as changing with growth temperature in two of the cultivars. The activation energy ranged from 58 to 84 kJ mol-1, compared with the value of 64 kJ mol^-1 used in many photosynthesis models. Much less variation in temperature responses occurred in photosynthesis measured at nearly saturating CO₂ levels, suggesting more diversity in Rubisco than in electron transport thermal properties among these soybean cultivars.

Photosynthesis is one the most important biological processes on earth, producing life-giving oxygen and is the basis for a large variety of plant products. Measurable properties of photosynthesis provide information about its biophysical state and, in turn, the physiological conditions of a photoautotrophic organism. For instance, chlorophyll fluorescence of an intact photosystem is not linear as in the case of a single fluorescent dye in solution, but shows temporal changes related to the quantum yield of the photosystem. Commercial photosystem analyzers already use the fluorescence kinetics characteristics of photosystems to infer the viability of organisms under investigation. Here, we provide a novel approach based on an optical Fabry-Pérot microcavity or that enables the readout of photosynthetic properties and activity for an individual cyanobacterium. This approach offers a completely new dimension of information, which would normally be lost due to averaging in ensemble measurements obtained from a large population of bacteria.

The synergic features and enhancing strategies for various photopolymerization systems are reviewed by kinetic schemes and the associated measurements. The important topics include: (i) photo crosslinking of corneas for the treatmnet of corneal deseases using UVA-light (365 nm) light and riboflavin as the photosensitizer; (ii) synergic effects by a dual-function enhancer in a 3-initiator system; (iii) synergic effects by a 3-initiator C/B/A system, having an electron-transfer and oxygen-mediated energy-transfer pathways; (iv) copper-complex (G1) photoredox catalyst in G1/Iod/NVK systems for free radiical (FRP) and cationic photopolymeriation (CP); (v) radical-mediated thiol-ene (TE) photopolymerizations; (vi) superbase photogenerator based-catalyzed thiol−acrylate Michael (TM) addition reaction; and the combined system of TE and TM usinghual wavelength; (vii) dual-wavelength (UV and blue) controlled photopolymerization confinement (PC); (viii) dual-wavelength (UV and red) selectively controlled 3D printing; and (ix) 3-wavelength selectively controlled in 3D printing and additive manufacturing (AM). With minimum mathematics, we present ( for the first time), the synergic features and enhancing strategies for various systems of multi-commponents, initiators, monomers, and under one- two- and there-wavelength light. Therefore, this Review provides not only the bridging between modeling and measurements, but also guidances for further experimantal stuides and new applications in 3D printings and additive manufacturing (AM), based on the innovative concepts (kinetics/schemes).

The synergetic features of a three-component photoinitiating systems (A/B/C) based on the measured data and proposed mechanism of Liu et al (Polymers, 2020, 12(6), 1394) are analyzed. The co-initiators/additives B and C have dual functions of : (i) regeneration of photoinitiator A and (ii) generation of extra radicals. The synergic effects lead to higher conversion of free radical polymerization (FRP) and cationic polymerization (CP). The key factors and rate constants influencing the conversion efficacy are explored by analytic formulas. Enhancing strategies for various photopolymerization systems are summarized including one component (or monomer) and one-wavelength, two-component and one, two and three-wavelength, and three-component, one-wavelength system. The synergetic effects for higher monomer conversion can be achieved by co-initiators for extra radicals and multiple wavelengths for reduced oxygen-inhibition. Co-initiator B, however, might also reduces the CP radical produced by initiator C. The conversion rate of FRP is proportional to the square root of the light intensity (I), absorption (b) and the initiator initial concentratios (A0, B0, C0), whereas CP is proportional to the linear power of a parameter defined as P=bIA0C0, a stronger dependence than FRP. The CP conversion is governed by a steady-state value proportional to P, and a rate fucntion defining the depletion rate of [A][C], or the increasing rate of the conversion profile. The measured results of Liu et al (Polymers, 2020, 12(6), 1394) are well analyzed and matching the predicted features of our modeling. The specific systems analyzed are: benzophenone derivatives (A) ethyl 4-(dimethylamino)benzoate (B), and (4-tert-butylphenyl)iodonium hexafluorophosphate (C) under a UV (365 nm) LED irradiation; and monomers of trimethylolpropane triacrylate (TMPTA, for FRP) and (3,4- epoxycyclohexane)methyl 3,4-epoxycyclohexylcarboxylate (EPOX, for CP).

The beta-galactoside-binding mammalian lectin galectin-1 can bind, via its carbohydrate recognition domain (CRD), various cell surface glycoproteins and has been implicated in a range of cancers. As a consequence of binding to sugar residues on cell surface receptors it has been shown to have a pleiotropic effect across many cell types and mechanisms resulting in immune system modulation and cancer progression. As a result, it has started to become a therapeutic target for both small and large molecules. In previous studies, we have used fluorescence polarisation (FP) assays to determine KD values to screen and triage small molecule glycomimetics that bind to the galectin-1 CRD. In this study surface plasmon resonance (SPR) was used to compare human and mouse galectin-1 affinity measures with FP as SPR has not been applied for compound screening against this galectin. Binding affinities for a selection of mono- and di-saccharides covering a 1,000-fold range correlated well between FP and SPR assay formats for both human and mouse galectin-1. It was shown that slower dissociation drove the increased affinity at human galectin-1 whilst faster association was responsible for the effects at mouse galectin-1. This study demonstrates that SPR is a sound alternative to FP for early drug discovery screening and determining affinity estimates. Consequently, it also allows association and dissociation constants to be measured in a high throughput manner for small molecule galectin-1 inhibitors.

The lab-on-a-chip concept, enabled by microfluidic technology, promises the integration of multi-ple discrete laboratory techniques into a miniaturised system. Research into microfluidics has generally focused on the development of individual elements of the total system (often with rela-tively limited functionality), without full consideration for integration into a complete fully opti-mised and miniaturised system. Typically, the operation of many of the reported lab-on-a-chip devices is dependent on the support of a laboratory framework. In this paper, a demonstrator platform for routine laboratory analysis is designed and built, which fully integrates a number of technologies into a single device with multiple domains such as fluidics, electronics, pneumatics, hydraulics, and photonics. This facilitates the delivery of breakthroughs in research, by incorpo-rating all physical requirements into a single device. To highlight this proposed approach, this demonstrator microsystem acts as a fully integrated biochemical assay reaction system. The re-sulting design determines enzyme kinetics in an automated process and combines reservoirs, three-dimensional fluidic channels, optical sensing, and electronics in a low-cost, low-power and portable package.

Glass fibers slowly dissolve and age when exposed to water molecules. Such a phenomenon also occurs when glass fibers are inside fiber-reinforced composites protected by the matrix. This en-vironmental aging results in the deterioration of the mechanical properties of the composite. In structural applications, GFRPs are continuously exposed to water environments for decades (typically design lifetime is around 25 years or even more). During their lifetime, these materials are affected by various temperatures, pH acidity levels, mechanical loads, and the synergy of these factors. The rate of the degradation process depends on the nature of glass, sizing, fiber orientation, and environmental factors such as acidity, temperature, and mechanical stress. In this work, degradation of typical industrial grade R-glass fibers, when inside an epoxy fiber-reinforced composite, is studied experimentally and computationally. A Dissolving Cylinder Zero-Order Kinetic (DCZOK) model was applied and could describe the long-term dissolution of glass composites, considering the influence of fiber orientation (hoop vs transverse), pH (1.7, 4.0, 5.7, 7.0, and 10.0), and temperature (20, 40, 60, and 80 °C). The limitations of the DCZOK model and effects of sizing protection, accumulation of degradation products inside the composite, and water availability were discussed. Experimentally dissolution was measured using ICP-MS. Like for the fibers, for GFRPs also, the temperature showed an Arrhenius-type influence on the ki-netics, increasing the rate of dissolution exponentially with increasing temperature. Similar to fibers, GFRPs showed a hyperbolic dependence on pH. The model was able to capture all of these effects, and the limitations were addressed.

The mammalian/mechanistic target of rapamycin complex 1 (mTORC1) is activated by the small G-protein, RHEB-GTPase. On lysosome, RHEB activates mTORC1 by binding the domains of N-heat, M-heat, and FAT, which allosterically regulates ATP binding in the active site for further phosphorylation. The crucial role of RHEB in regulating growth and survival through mTORC1, makes it a targetable site for anti-cancer therapeutics. However, the binding kinetics of RHEB to mTORC1 is still unknown at the molecular level. Therefore, we studied the kinetics by in vitro and in-cell protein-protein interaction (PPI) assays. For this, we used the split-luciferase system (NanoBiT®) for in-cell studies, and prepared proteins for the in vitro measurements. Consequently, it was shown that RHEB binds to the whole mTOR both in the presence or absence of GTPɣS, with five-fold weaker affinity in the presence of GTPɣS. Also, RHEB bound to the truncated mTOR fragments of N-heat domain (60-167) and M-heat domain (967-1023) in a GTP independent manner. Furthermore, RHEB bound to the truncated kinase domain (2148-2300) with higher affinity also in GTP independently. In conclusion, RHEB binds two different binding sites of mTOR, which probably regulates the kinase activity of mTOR through multiple different molecular mechanisms.

The kinetics and efficacy profiles of photoinitiated polymerization are theoretically presented. For the same dose, lower light intensity achieves a higher steady-state-efficacy (SSE) in type-I; in contrast, type-II has an equal SSE. Higher light intensity has a faster rising efficacy, due to faster depletion of photoinitiator (PS) concentration. However, type-II process is also affected by the available oxygen. Higher light intensity produces more efficient singlet oxygen, resulting a higher transient efficacy, in which all intensities reach the same SSE when oxygen is completely depleted. With external oxygen, type-II efficacy increases with time, otherwise, it is governed only by the light dose, i.e., same dose achieves same efficacy. Moreover, type-II has an efficacy follows Bunsen Roscoe law (BRL), whereas type-I follows non-BRL. The measured type-I efficacy and gelation profile are analyzed by our analytic formulas. Schematics of the photocrosslinking stage defined by the availability of oxygen is developed, where both type-I and –II coexist until the oxygen is depleted. The overall efficacy may be enhanced by resupply of PS or oxygen during the light exposure. The roles of light dose and PS concentration on the efficacy of photoinitiated polymerization should be are governed a new concept of a volume efficacy (Ve), defined by the product of the crosslink (or gelation) depth (CD) and local [efficacy].

Surface Plasmon Resonance (SPR) technology has been known as a powerful tool for studying biomolecular interactions because it offers real-time and label-free multiparameter analysis with high sensitivity. This article summarizes the results that have been obtained from the use of SPR technology in studying the dynamics of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) mutations. This paper will begin by introducing the working principle of SPR and the kinetic parameters of the sensorgram which include the association rate constant (ka), dissociation rate constant (kd), equilibrium association constant (KA), and equilibrium dissociation constant (KD). At the end of the section, we will summarize kinetic data on the interaction of SARS-CoV-2 with different variants with various ligands which were obtained from the results of SPR signal analysis. These affinity-related kinetic data are very useful both in drug discovery for therapeutic purposes and in the detection of SARS-CoV-2.

The hydrothermal synthesis of aluminophosphate molecular sieve type AlPO4-11 was processed from chemicals containing psueudobohemite, 85% phosphoric acid, water, and di-isopropylamine as templating agent. The crystallization of the samples was studied by taking samples in times from 2 to 74 hours. The obtained white powder products have been characterized by XRD patterns, FT-IR spectra, thermogravimetric data, scanning electron microscopy and pH measurement of the mother liquor. The pore volume, as determined from TG and DTG curves, was ca. 0.17 cm3g-1. The crystallization process of the aluminophosphate exhibited in its initial phase a behavior of first order reaction with a specific velocity constant of ca. 0.25 h-1, as determined from XRD and FT-IR data.

Spherical microparticles of TiO₂ were synthesized by the ionic liquid-assisted solvothermal method at different reaction time (3, 6, 12 and 24h). The properties of the prepared photocatalysts were investigated by means of UV-vis diffuse-reflectance spectroscopy (DRS), BET surface area measurements, scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy (XPS). The results indicated that the efficiency of phenol degradation was related with a time of the solvothermal synthesis as determined for TiO₂_EAN(1:1)_24h sample. Microparticles of TiO₂_EAN(1:1)_3h formed during the only 3h of synthesis time revealed really high photoactivity under visible irradiation – 75%. This value increased to 80% and 82% after 12h and 24h, respectively. The photoactivity increase was accompanied by the increase of the specific surface area thus pores size, as well as ability to absorb UV-vis irradiation. The high efficiency of phenol degradation of IL-TiO₂ photocatalysts was ascribed to the interaction between the surface of TiO₂ and ionic liquid components (carbon and nitrogen).

In this paper, a polyacrylic elastomer latex with butyl acrylate (BA) as the core and methyl methacrylate (MMA) copolymerized with glycidyl methacrylate (GMA) as the shell, named poly(BA-MMA-GMA) (PBMG), was synthesized by seeded emulsion polymerization. Cellulose nanocrystal (CNC) was dispersed in the polyacrylic latex to prepare PBMG/CNC dispersions with different CNC contents. The dried product was mixed with polylactic acid (PLA) to fabricate PLA/PBMG/CNC blends. The addition of PBMG and PBMG/CNC improved the mechanical properties of the PLA matrix. Differential scanning calorimetry (DSC) was used to investigate the non-isothermal crystallization kinetics. The Avrami equation modified by Jeziorny, and the Ozawa, and Mo’s equations were used to analyze the nonisothermal crystallization kinetics of PLA and its blends. Analysis of crystallization halftime of nonisothermal conditions indicated that the overall rate of crystallization increased significantly at 1 wt% content of CNC. This seemed to result from the increase of nucleation density and the acceleration of segment movement in the presence of CNC component. This phenomenon was verified by polarizing microscope observation.

This study aimed to evaluate the impact of Candida albicans on subgingival biofilm formation on dental implant surfaces. Scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM) were used to compare biofilm structure and microbial biomass in the presence and absence of the fungus after periods of 24, 48, and 72 h. Quantitative polymerase chain reaction (qPCR) was used to quantify the number of viable and total micro-organisms for each of the biofilm-forming strains. A general linear model was applied to compare CLSM and qPCR results between control and test conditions. The biofilm developed with C. albicans at 72 h had a higher bacterial biomass, with a significantly higher cell viability (p &lt; 0.05). After both 48 and 72 h of incubation, in the presence of C. albicans, there was a significant increase in counts of Fusobacterium nucleatum and Porphyromonas gingivalis and in the cell viability of Streptococcus oralis, Aggregatibacter actinomycetemcomitans, F. nucleatum, and P. gingivalis. Using a dynamic in vitro multispecies biofilm model, C. albicans exacerbated the development of the biofilm grown on dental implant surfaces, significantly increasing the number and cell viability of periodontal bacteria.

In the theoretical treatment of crystallization it is commonly assumed that relaxation processes of the liquid proceed fast as compared to crystal nucleation and growth processes. Actually, it is supposed that the liquid is located always in the metastable state corresponding to the current values of pressure and temperature. However, near and below the glass transition temperature, Tg, this condition is commonly not fulfilled. In such cases, in the treatment of crystallization, deviations of the state of the liquid from the respective metastable equilibrium state have to be accounted for in determining the kinetic coefficients governing the crystallization kinetics, the thermodynamic driving force of crystallization, and the surface tension of the aggregates of the newly evolving crystal phase including the surface tension of critical clusters affecting considerably the crystal nucleation rate. These factors may considerably influence the course of the overall crystallization process. A theoretical analysis of the resulting effects is given in the present paper by numerical solutions of the J(ohnson)–M(ehl)–A(vrami)–K(olmogorov)–equation employed as the tool to model the overall crystallization kinetics and by analytical estimates of the crystallization peak temperatures in dependence on cooling and heating rates. The results are shown to be in good agreement with experimental data. Possible extensions of the theory to be explored in future analysis are anticipated.

Background: Vaccination is one of the most effective life-saving medical interventions, and the introduction of SARS-CoV-2 vaccines was intended to prevent the serious implications of COVID-19. The objectives of the study were: i) to observe the humoral immune response to BNT162b2 vaccine and SARS-CoV-2 infection (mainly breakthrough infections), ii) to demonstrate the persistence of anti-SARS-CoV-2 antibodies over time in relation to the number of received vaccine doses and the course of infection, and iii) to determine adverse effects after primary vaccine doses. Methods: To assess the humoral response, IgG and IgA anti-S1 antibodies were quantified by ELISA assays. In total, the tests were carried out seven times in almost two years. Results: We demonstrated strong immunogenicity (compared to levels before primary vaccination, 150- and 20-fold increases in IgG and IgA, respectively) of the BNT162b2 vaccine. Over time, we observed a systematic decline in antibody levels, which may have contributed to breakthrough infections. Although they caused seroconversion similar to the booster, antibody levels in such patients fell more rapidly than after re-vaccination. On the other hand, in individuals who did not receive booster(s) and who did not present breakthrough infection, anti-SARS-CoV-2 antibodies returned to pre-vaccination levels after 20 months. The most commonly recognized adverse effects were injection site redness and swelling. Conclusion: Vaccination is highly effective in preventing the most severe outcomes of COVID-19 and should be performed regardless of prior infection. Booster doses significantly enhance anti-SARS-CoV-2 antibody levels and, in contrast to those obtained by breakthrough infection, they remain longer.

The present work aims to explain the aluminum hydrolysis reaction kinetics based on properly chosen theoretical model with machined aluminum waste chips and alkali solutions up to 1M as a promoter, and to estimate overall reaction profit. In order to obtain results of better accuracy, we work with flat Al waste chips because a flat surface is preferable to maximally increase the time for created hydrogen bubbles to reach the critical gas pressure. At describing the reaction kinetics, flat shape allows using a planar one-dimensional shrinking core model instead of much complicated polydisperse spheric shrinking core model. We analyze the surface chemical reaction and mass transfer rate steps to obtain the first order rate constant for surface reaction and the diffusion coefficient of aqueous reactant in the byproduct layer, respectively. With our reactor we achieved H2 yield of 1145 mL per 1 g Al with 1M NaOH, which is 92% of the theoretical maximum. At estimation of the profit, we pay much attention to the loss of alkaline and find a crucial dependence on its price. Nevertheless, in terms of consumed and originated materials for sale, conversion of the aluminum waste material into green hydrogen by properly chosen reaction parameters has a positive profit even by consuming alkali of chemical grade.

Wire-driven hyper-redundant continuum manipulators are gaining more popularity and finding more applications in industry and in minimally invasive surgery. Unlike traditional rigid link manipulators, continuum robots with a flexible backbone structure are able to work in a highly constrained workspace and in an unstructured environment. However, in spite of a possible wide range of reachability, continuum manipulators have some issues related to payload capacity, accuracy and control. Therefore, in this research, we propose a novel hyper-redundant continuum robot with a passive sliding disc mechanism to improve payload capacity and accuracy. To prove the sliding mechanism concept, we demonstrate a comparison analysis with a conventional non-sliding continuum robot arm in a payload test, a bending test and a reachability test. Moreover, with this novel design, we are proposing robot kinematics and kinetic formulation and simulation results to validate the effectiveness of the sliding disc mechanism.

The potential agricultural use of metal nanoparticles (NPs) for slow-release micronutrient fertilizers is beginning to be investigated by both industry and regulatory agencies. However, the impact of such NPs on soil biogeochemical cycles is not clearly understood. In this study, impacts of a commercially-available copper NPs on the soil nitrification kinetics was investigated via batch experiments. The X-ray absorption near edge structure spectroscopy analysis showed that the NPs readily oxidized to Cu(II) and strongly retained in soils with minimum dissolution (<1% of total mass). The Cu2+ (aq) at 1mg/L showed the beneficial effect on the nitrification, an increase in the rate of nitrification kinetics (Vmax). However Vmax was negatively impacted by ionic Cu at 10-100mg/L and CuNP at 1-100 mg/L. The trace metal toxicity of soil nitrifiers seems to be critical in the soil nitrification processes. Among CuNPs, the suppressed nitrification kinetics was concentration dependent at >10mg/L. The reaction products of surface oxidation such as the release of ionic Cu seem to play an important role in suppressing the nitrification process. Considering the potential use of copper NPs as a slow-release micronutrient fertilizer, further studies are needed in heterogeneous soil systems.

The microstructure evolution and grain refinement kinetics of a solution treated Cu – 0.1Cr – 0.06Zr alloy during equal channel angular pressing (ECAP) at a temperature of 673 K via route B_C were investigated. The microstructure change during plastic deformation was accompanied by the microband formation and an increase in the misorienations of strain-induced subboundaries. The refinement of initial coarse grains was considered as a result of continuous dynamic recrystallization. The dynamic recrystallization kinetics was discussed in terms of grain/subgrain boundary triple junction evolution. The strain dependence of the triple junctions of high-angle boundaries can be expressed by a modified Johnson-Mehl-Avrami-Kolmogorov relationship with a strain exponent of about 1.49. Severe plastic deformation by ECAP led to substantial strengthening of the Cu-0.1Cr-0.06Zr alloy. The yield strength increased from 60 MPa in the initial state to 445 MPa after the total strain of 12.

For colloids of NaYF4:Yb3+/Tm3+ nanoparticles in DMSO by the method of time-resolved lumi-nescence spectroscopy with nanosecond pulsed excitation at a wavelength of 975 nm the photo-physical processes that determine the course of kinetic curves have been revealed. It has been found that the luminescence rise time decreases with an increase of the concentration of activators and sensitizers due to increase of the efficiency of energy transfer from sensitizers to activators. Cross-relaxation of the excited states of activators provides a decrease of the lumi-nescence decay time with an increase of the concentration of activators and a constant concentration of the sensitizer. There was no correlation between the time of luminescence decay with the change of the concentration of sensitizers and constant concentration of activators due to the competition of the processes of energy back transfer from activators to sensitizers and the "feeding" of activators by excitations coming from remote sensitizer ions.

Due to the accumulation of pesticides in the environment, the development of efficient strategies for their removal is of utmost importance. Activated carbons are currently seen as excellent candidates for adsorptive pesticide removal based on several beneficial properties, like a large surface area, developed porosity, and low price. However, a deep link between materials' properties and performance is still elusive. Here we focus on the kinetics of three organophosphate pesticides removal, aliphatic dimethoate and malathion and aromatic chlorpyrifos, using a series of carefully prepared activated carbon fibers. Used adsorbents have a wide range of specific surface areas, pore size distributions, and elemental content, allowing the establishment of the link between physicochemical properties and their performance as adsorbents. We use data analysis tools to link these properties and discuss their different roles in the removal of three structurally different yet extremely dangerous pesticides. The obtained results can guide the synthesis of novel adsorbents or rationally select adsorbents for specific target pollutants based on the physicochemical properties of adsorbents and the chemical structure of pollutants.

Pertussis is a vaccine-preventable disease caused by the bacterium Bordetella pertussis. Over the past years, the incidence and mortality of pertussis increased significantly. A possible cause is the switch from whole cell to acellular pertussis vaccines, although other factors may also contribute. To develop future vaccines and improve current vaccination strategies, it is critical to understand factors influencing the generation of immunological memory. We applied high-dimensional flow cytometry to investigate changes in B cells in individuals of different ages and distinct priming backgrounds upon administration of an acellular pertussis booster vaccine. These findings were correlated to vaccine-specific plasma cells and serum Ig levels. Expansion and maturation of plasma cells 7 days post-vaccination was the most prominent cellular change in all age groups, and was most pronounced for more mature IgG1+ plasma cells. Cellular responses were stronger in individuals primed with whole cell vaccine than in individuals primed with acellular vaccine. Moreover, IgG1+ plasma cell expansion weakly correlated with Prn- and PT- specific serum IgG levels. Our study points at plasma cells as a potential early cellular marker of an immune response and contributes to understanding differences in immune responses between age groups and priming backgrounds.

This study aims to model grinding of a Polish slag and evaluate the particle size distributions of the products obtained after different grinding times. Then, selected products were alkali activated in order to investigate the effect of particle size on the compressive strength of the produced alkali activated materials (AAMs). Other parameters affecting alkali activation, i.e. temperature, curing and ageing time were also examined. Among the different mathematical models used to simulate the particle size distribution, Rosin-Rammler (RR) was found to be the most suitable. When piecewise regression analysis was applied to experimental data it was found that the particle size distribution of the slag products exhibits multi fractal character. In addition, grinding of slag exhibits non-first-order behavior and the reduction rate of each size is time dependent. The grinding rate and consequently the grinding efficiency increases when the particle size increases, but drops sharply near zero after prolonged grinding periods. Regarding alkali activation, it is deduced that among the parameters studied, particle size (and the respective specific surface area) of the raw slag product and curing temperature have the most noticeable impact on the compressive strength of the produced AAMs.

Side-stream EBPR process (S2EBPR) is a new alternative to address the common challenges in EBPR related to weak wastewater influent and to improve EBPR process stability. A systematic evaluation and comparison of the process performance and microbial community structure between four S2EBPR with conventional EBPR configurations in US was conducted. The statistical analysis suggested higher performance stability in S2EBPR than the conventional EBPRs, although possible bias is recognized due to variations in the target permit levels and plant-specific factors among the plants. Total and known PAOs and GAOs abundance and identities were investigated with FISH, DAPI, 16S rRNA gene sequencing and Raman microspectroscopy. The results suggested comparable relative PAO and Candidatus Accumulibacter abundances in S2EBPR and conventional EBPR systems. Tetrasphaera, a putative PAO, was also found at similar abundance in S2EBPR as in conventional facilities, whereas the relative abundance of known GAOs was lower in S2EBPR than those typically seen at conventional EBPRs. Microbial community analyses via 16S rRNA gene amplicon sequencing revealed differences in the community phylogenetic fingerprints between S2EBPR and conventional plants. Shannon and Inverse Simpson indices, which are combined measures of richness and evenness evaluation of the microbial communities, suggested that the microbial diversity in S2EBPR plants were higher than those in conventional EBPRs.

The study was done to investigate the kinetics of first order bioremediation. The effectiveness of remediating soils polluted with raw crude oil and treated crude oil using Aspergillus niger (fungi) and Pseudomonas aeruginosa (bacteria) were investigated. Eight systems of 500g soil sample were polluted with both raw and treated crude oil. Four systems were polluted with 40g treated crude oil while the other remaining four systems were polluted with 40g raw crude oil. Two systems with raw crude and treated crude were left as control (RCC and TCC). Raw crude samples were treated with Aspergillus niger only (RCA) and Pseudomonas aeruginosa (RCP) while treated crude samples were also treated with same (TCA) and (TCP) only. The last two systems were treated with both Pseudomonas aeruginosa and Aspergillus niger (RCAP and TCAP). The first order bioremediation kinetics and biostimulant efficiency for these systems were studied by monitoring Total Petroleum Hydrocarbon (TPH). At the end of the bioremediation period, the results obtained showed that treated crude oil polluted soil generally remediated faster and better than raw crude oil polluted soil. The highest level of bioremediation occurred in systems amended with both Pseudomonas aeruginosa and Aspergillus niger which had about 98% TPH decrease.

This short communication makes use of the principle of singular perturbation to approximate the ordinary differential equation (ODE) of prompt neutron (in the point kinetics model) as an algebraic equation. This approximation is shown to yield a large gain in computational efficiency without compromising any significant accuracy in the numerical simulation of primary coolant system dynamics in a PWR nuclear power plant. The approximate (i.e., singularly perturbed) model has been validated with a numerical solution of the original set of neutron point-kinetic and thermal–hydraulic equations. Both models use variable-step Runge–Kutta numerical integration.

The massive amount of human biological, imaging and clinical data produced by multiple and diverse sources, necessitates integrative modeling approaches able to summarize all this information into answers to specific clinical questions. In this paper, we present a hypermodeling scheme able to combine models of diverse cancer aspects regardless of their underlying method or scale. Describing tissue-scale cancer cell proliferation, biomechanical tumor growth, nutrient transport, genomic-scale aberrant cancer cell metabolism, and cell signaling pathways that regulate the cellular response to therapy, the hypermodel integrates mutation, miRNA expression, imaging, and clinical data. The constituting hypomodels as well as their orchestration and links are described. Two specific cancer types, Wilms tumor (nephroblastoma) and non-small cell lung cancer, are addressed as proof of concept study cases. Personalized simulations over the actual anatomy of a patient have been carried out. The hypermodel has also applied to predict tumor control after radiotherapy and the relationship between tumor proliferative activity and response to neoadjuvant chemotherapy. Our innovative hypermodel holds promise as a digital twin based clinical decision support system and the core of future in silico trial platforms, although additional retrospective adaptation and validation is necessary.

The α-glucosidase inhibitor is of interest to researchers due to its association with type-II diabetes treatment by suppressing postprandial hyperglycemia. Hesperidin is a major flavonoid in orange fruit with diverse biological properties. This paper evaluates the effects of hesperidin on α-glucosidase through inhibitory kinetics, fluorescence quenching, and molecular docking methods for the first time. The inhibition kinetic analysis showed that hesperidin reversibly inhibited the α-glucosidase activity with an IC50 value of 18.52 M and the inhibition was performed in an uncompetitive type. Fluorescence quenching studies indicated that the intrinsic fluorescence of α-glucosidase was quenched via a static quenching process and only one binding site was present between hesperidin and α-glucosidase. The interaction between them was spontaneous and mainly driven by hydrogen bonds as well as hydrophobic forces. Furthermore, molecular docking results suggested that hesperidin might bond to the entrance or outlet part of the active site of α-glucosidase through a network of five hydrogen bonds formed between hesperidin and the four amino acid residues (Trp709, Arg422, Asn424, and Arg467) of ?-glucosidase and hydrophobic effects. These results provide new insights into the inhibitory mechanisms of hesperidin on α-glucosidase, supporting the potential application of hesperidin-rich orange product as a hypoglycemic functional food.

The chemical feedback between building blocks in templated polymerization of diblock copolymers and their consecutive micellization was studied for the first time by means of coarse-grained molecular dynamics simulations. Using a stochastic polymerization model, we were able to reproduce the experimental findings on the effect of chemical feedback on the polymerization rates at low and high solution concentrations. The size and shape of micelles were computed using a newly development software in python conjugated with graph theory. In full agreement with the experiments, our simulations revealed that micelles formed by the templated micellization are more spherical and have lower radius of gyration than those formed by the traditional two-step micellization method. Understanding the underlying mechanisms in templated reaction/assembly of polymers will help for rational design of new synthetic supramolecular materials.

Carbazole is one of the typical heterocyclic aromatic compounds (NSO-HETs) observed in pol-luted urban atmosphere, which has become a serious environmental concern. The most im-portant atmospheric loss process of carbazole is the reaction with OH radical. The present work investigated the mechanism of OH-initiated atmospheric oxidation degradation of carbazole by using density functional theory (DFT) calculations at the M06-2X/6-311++G(3df,2p)//M06-2X/6-311+G(d,p) level. The rate constants were determined by the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The lifetime of carbazole determined by OH was compared with other typical NSO-HETs. The theoretical results show that the degradation of carbazole initiated by OH radical includes four types of reactions: OH additions to “bend” C atoms, OH additions to “benzene ring” C atoms, H abstractions from C-H bonds and the H ab-straction from N-H bond. The OH addition to C1 atom and the H abstraction from N-H bond are energetically favorable. The main oxidation products are hydroxycarbazole, dialdehyde, carba-zolequinone, carbazole-ol, hydroxy-carbazole-one and hydroperoxyl-carbazole-one. The calcu-lated overall rate constant of carbazole oxidation by OH radical is 6.52 × 10−12 cm3 molecule−1 s−1 and the atmospheric lifetime is 43.92 h under the condition of 298 K and 1 atm. The lifetime of carbazole determined by OH radical is similar with that of dibenzothiophene oxidation but longer than those of pyrrole, indole, dibenzofuran and fluorene. This work provides a better understanding of the reactivity of carbazole in the atmospheric environment, the formation of secondary organic aerosols, and the chemical degradation and removal of carbazole in the at-mospheric environment.

Water is essential for all living things however its pain has become serious. Many industrial activities cause its pollution by the release of polluting byproduct. Waste water treatment is hence necessary. In this context, the waste water of the textile industry containing Red Acid 52 was treated by the solid waste of the washed natural phosphate byproduct. Natural phosphate was also studied. The solid materials were first characterized by chemical analysis, Fourier Transform Infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The phosphate materials were after that, tested in the adsorption of the Red Acid 52. The experimental data indicated that the phosphate waste rock allowed the removal of Red Acid 52. Its maximum retention capacity attained 18.4 mg.g-1. Calcinations of materials inhibits the removal capacity found reduced by 60 to 70%. The adsorption kinetics of the Red Acid 52 on the material is well described by the pseudo second order model while the adsorption isotherms are identified by the Langmuir model. Hereafter, the thermodynamic study revealed that the adsorption process is spontaneous and exothermic. Keywords: Waste water, Phosphate co-product, Adsorption, Red Acid 52.

This article presents, for the first time, the kinetics and the general conversion features of a 3-initiator system (A/B/N), based on proposed mechanism of Mokbel et al, for both free radical polymerization (FRP) of acrylates and the free radical promoted cationic polymerization (CP) of epoxides using copper complex as the initiator. Higher FRP and CP conversion can be achieved by co-initiators concentration [B] and [N], via the dual function of (i) regeneration [A], and (ii) generation of extra radicals S' and S. The FRP and CP conversion is proportional to, respectively, the nonlinear and linear power of bI[A][B], where b and I are the absorption coefficient and the light intensity, respectively. System in air has lower conversion than in laminate due to the oxygen inhibition effects. For thick samples (with thickness z), there is an optimal concentration [A*] which is inverse proportional (bzI), in contrast with very thin sample, in which the conversion is an increasing function of [A] and [B]. The unique feature of dark polymerization in CP conversion enables the polymerization to continue in living mode, in contrasts with that of the radical-mediated pathway in most conventional FRP. The measured results of Mokbel et al are well analyzed and matching the predicted features of our modeling.

Semi-solid feedstock of AZ80 magnesium alloy modified by minor rare-earth Y element (0, 0.2, 0.4, 0.8 wt.%) were fabricated by strain induces melting activated (SIMA) in the form of extrusion and partial remelting. The effect of Y addition on the microstructure evolution of extruded and isothermal treated alloy was observed by optical microscope (OM), scanning electron microscope (SEM), X-ray diffraction (XRD) and quantitative analysis. The results show that the Y addition can refine the microstructure and make the β-Mg17Al12 phases agglomerating. During the subsequent isothermal treatment at 570℃, the average solid grain size, shape factor and liquid fractions increased with prolonged soaking time. Smaller spheroidal solid grains and the larger shape factor were obtained due to Y addition. The coalescence and Ostwald ripening of solid grains operated the coarsening process simultaneously. The coarsening rate constants of AZ80M1 (0.2 wt.% Y addition) of 164.22 μm3s-1 was approximately four times less than the un-modified AZ80 alloy of 689.44 μm3s-1. In contrast, the desirable semi-solid structure featured by fine, well globular solid grains and appropriate liquid fractions and shape factor was achieved in AZ80M1 alloy treated at 570℃ for 20-30 min.

It was the aim of this study to compare the ratio of salbutamol and its major metabolite salbutamol-4’-O-sulfate as well as the quantity excreted renally after oral and inhalative administration. Additionally, the excretion pattern after application of racemic salbutamol opposed to the pure enantiomer levosalbutamol was evaluated. For quantitation of the sulfonated metabolite of salbutamol, reference material was synthesized and characterized by NMR and HRMS. Urine samples were analyzed by ultrahigh performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS). Salbutamol is mainly metabolized by sulfotransferase 1A3 (SULT1A3), which is most abundantly found in the jejunum. A high first pass effect occurs upon oral administration, which leads to a higher amount of salbutamol-4’-O-sulfate in urine compared to unchanged salbutamol excreted within the first hour post administration. Thus, when administered orally, the proportion of metabolite to total salbutamol was higher than for inhalative administration in the early urinary excretion. Levosalbutamol is the favored enantiomer of SULT1A3 and therefore metabolized at a higher rate whereas racemic salbutamol shows a reduced proportion between metabolite and parent compound. The amount of sulfoconjugate was found higher than that of the parent compound for all urine samples except for those excreted in the first hour after inhalative administration.

A method is proposed for describing the dynamics of systems of interacting particles in terms of an auxiliary field, which in the static mode is equivalent to given interatomic potentials, and in the dynamic mode is a classical relativistic composite field. It is established that for interatomic potentials, the Fourier transform of which is a rational algebraic function of the wave vector, the auxiliary field is a composition of elementary fields that satisfy the Klein-Gordon equation with complex masses. The interaction between particles carried by the auxiliary field is nonlocal both in space variables and in time. The temporal non-locality is due to the dynamic nature of the auxiliary field and can be described in terms of functional-differential equations of retarded type. Due to the finiteness mass of the auxiliary field, the delay in interactions between particles can be arbitrarily large. A qualitative analysis of the dynamics of few-body and many-body systems with retarded interactions has been carried out, and a non-statistical mechanisms for both the thermodynamic behavior of systems and synergistic effects has been established.

The study aimed to elucidate the optimum level of elemental sulfur, fresh cassava root (FCR), and urea and their effect on gas production, ruminal fermentation, thiocyanate concentration, and in vitro degradability. A 3×2×4 in a completely randomized design were conducted. Factor A was level of sulfur at 0%, 1%, and 2% of concentrate dry matter (DM), factor B was level of urea at 2% and 4% of concentrate DM, and factor C was level of the FCR at 0, 200, 300, and 400 mg of the total substrate. The study found that elemental sulfur, urea, and FCR had no interaction effect on the kinetics of gas, ruminal fermentation, hydrogen cyanide (HCN), and in vitro degradability. Elemental sulfur supplementation (P<0.05) significantly increased the gas produced from an insoluble fraction (b), in vitro DM degradability and either neutral detergent fiber or acid detergent fiber degradability, and propionate (C3) concentration while decreased the ruminal HCN concentration. Urea levels showed a (P<0.05) significant increase of the potential extent of gas production, ruminal NH3-N, and total volatile fatty acid (VFA). FCR supplementation (P<0.05) significantly increased the gas produced from an immediate soluble fraction (a), gas produced from insoluble fraction, gas production rate constant, total VFA, C3 concentration, and HCN while decreased ruminal pH, acetate, and butyrate concentration. It could be concluded that 2% elemental sulfur, 4% urea, and 300 mg FCR showed a greater effect on gas production, ruminal fermentation, and HCN reduction.

To understand functions of biomolecules such as proteins, not only structures but their conformational change and kinetics are important to be characterized but its atomistic details are hard to obtain both experimentally and computationally. We review our recent computational studies using novel enhanced sampling techniques for conformational sampling of biomolecules and calculations of their kinetics. For efficiently characterizing the free energy landscape of a biomolecule, we introduce the multiscale enhanced sampling method, which uses a combined system of atomistic and coarse-grained models. Based on the idea of Hamiltonian replica exchange, we can recover the statistical properties of the atomistic model without any biases. We next introduce the string method as a path search method to calculate the minimum free energy pathways along a multidimensional curve in high dimensional space. Finally we introduce novel methods to calculate kinetics of biomolecules based on the ideas of path sampling: One is the Onsager-Machlup action method, and the other is the weighted ensemble method. Some applications of above methods to biomolecular systems are also discussed and illustrated.

This article presents, for the first time, the kinetics and the general conversion features of free radical polymerization (FRP) in a 3-component system (A/B/N), with [A] being the initiator, and [B] and [N] are additives, based on the proposed mechanism of Rahal et al. Higher FRP can be achieved by additives [B] and [N], via the dual function of (i) regeneration [A], and (ii) generation of extra radicals (R) via the radicals (S' and S) produced by N.The initiator (coumarin) shows a dual photo-oxidation and photo-reduction character for high efficacy. The FRP conversion efficacy (CE) depends not only on the property of the initiator [A], the additives [B] and [N}, but also the types of monomers. For example, when [A]=CoumC, [A]/NPG is more efficient than [A]/Iod, but revserse trend occurs in some monomers. However, 2-component systems (with CE=0% to 80%) are always less efficient than that of 3-component systems (with CE=70% to 86%, in TMPTA). Specific systems with [A]=coumarins, [B]=Iodonium salt, and N=NPG are analyzed. Analytical formulas for the role of each component concentration, light intensity and coupling rates on the conversion efficacy are derived.

The SARS-CoV-2 infection is a cause of hypoxemic acute respiratory failure, leading to frequent intensive care unit (ICU) admission. Due to invasive organ support and immunosuppressive therapies, these patients are prone to nosocomial infections. Our aim was to assess the value of daily measurements of C-reactive protein (CRP) and Procalcitonin (PCT) in the early identification of ICU-acquired infections in COVID-19 patients Methods: We undertook a prospective observational cohort study (12 months). All adult me-chanically-ventilated patients admitted for ≥ 72 hours to the ICU with COVID-19 pneumonia were divided into an infected group (n=35) and a non-infected group (n=83). Day 0 was considered as the day of the diagnosis of infection (infected group) and day 10 of ICU stay (non-infected group). The kinetics of CRP and PCT were assessed from day -10 to day 10 and evaluated using a general linear model, univariate, repeated-measures analysis. Results: 118 patients (mean age 63 years, 74% males) were eligible for the analysis. The groups did not differ in patients' age, gender, CRP, and PCT serum levels at ICU admission. However, the infected group encompassed patients with a higher severity (SOFA score at ICU admission, p=0.009) and a higher 28-day mortality (p<0.001). Before D0, CRP kinetics showed a significant increase in infected patients, whereas in noninfected it remained almost unchanged (p<0.001), while PCT kinetics did not appear to retain diagnostic value to predict superinfection in COVID-19 patients (p=0.593). Conclusion: COVID-19 patients who develop ICU-acquired infections exhibited different biomarker kinetics before the diagnosis of those infections. Daily CRP monitoring and the recognition of the CRP kinetics could be useful in the prediction of ICU-acquired infections.

Cadmium(II) contamination in the environment is an emerging problem due to its acute toxicity and mobility, so it is very urgent to remove this species from industrial wastewater before it is discharged into the environment. Thus, a starch-based activated carbon (AC) with a specific surface area of 1600 m2g-1 is used as an adsorbent for the capturing of toxic cadmium(II) ions from synthetic solutions. The sorbent is characterized by BET, SEM, TEM, XRD, FT-IR, TGA, and zeta potential. The maximum uptake (284 mg g-1) of Cadmium(II) ion is obtained at pH 6. The thermodynamic parameters like ∆G, ∆H, ΔS are found to be -17.42 kJmol-1, 6.49 kJ mol-1, and 55.66 Jmol-1K-1 respectively, revealing that the adsorption mechanism is endothermic, spontaneous, and feasible. The experimental data follows the D-R and Langmuir models well. The mass transfer is controlled by pseudo 2nd order kinetics. Furthermore, the density functional theory simulations demonstrate that the activated carbon strongly interacted with the Cd(II) ion through its various active sites. The adsorption energy noted for all interactive sites is highly negative (-0.45 eV to -10.03 eV), which shows that the adsorption process is spontaneous and stable which is in agreement with the experimental thermodynamics analysis.

This paper investigates the density, phase composition, microstructure and mechanical properties (microhardness, fracture toughness) of binderless WC + SiC ceramics obtained by conventional pressureless sintering (CPS) and Spark Plasma Sintering (SPS). α-WC nanopowders obtained by DC arc plasma chemical synthesis and β-SiC powders have been used as raw materials. The content of SiC particles was 1, 3, 5% wt. Excess graphite (0.3, 0.5% wt.) was added to α-WC nanopowders to decrease the volume fraction of W2C particles that negatively affect the mechanical properties of ceramics. WC + 1% wt. SiC + 0.3% wt. C ceramics are shown to have a homogeneous fine-grained microstructure, high relative density, increased microhardness and Palmquist fracture toughness. The CPS and SPS activation energies of WC + SiC nanopowders at an intensive shrinkage stage are determined using the Young-Cutler model. The effect of carbon and SiC particles on the CPS and SPS activation energies of tungsten carbide nanopowders has been analyzed. The CPS activation energies of WC, WC + C and WC + SiC + C nanopowders are shown to be closer to the carbon diffusion activation energy along α-WC grain boundaries. The SPS activation energies of WC and WC + SiC nanopowders turn out to be lower than the carbon grain boundary diffusion activation energy of α-WC.

A series of (benzoimidazol-2-ylmethyl)amine palladium(II) complexes have been employed as catalysts in the homogenous hydrogenation of alkenes and alkynes under mild conditions. A correlation between the catalytic activity and the nature of the ligand was established. Kinetic studies of the hydrogenation reactions of styrene established pseudo-first-order dependence on styrene substrate. On the other hand, partial orders with respect to H2 and catalyst concentrations were obtained consistent with the formation of palladium(II) monohydride species as the active species. The nature of the solvent used influenced the hydrogenation reactions, where coordinating solvents resulted in lower catalytic activities. Density functional theory investigations provided valuable insights into the reactivity trends and influence of complex structure on the hydrogenation reactions.

SARS-CoV-2 infection remains a global burden. Despite intensive research, the mechanism and dynamics of early viral replication are not completely understood including the kinetics of formation of genomic RNA (gRNA), sub-genomic RNA (sgRNA) and replication centers/organelles (ROs). We employed single-molecule RNA-fluorescence in situ hybridization (smRNA-FISH) to simultaneously detect viral gRNA and sgRNA, immunofluorescence to detect nsp3 protein, a marker for the formation RO, and carried out a time course analysis. We found that single molecules of gRNA are visible within the cytoplasm at 30 minutes post-infection (p.i.). Starting from 2 hr. p.i., most of the viral RNA existed in clusters/speckles, some of which were surrounded by single molecules of sgRNA. These speckles associated with nsp3 protein starting at 3 hr. p.i., indicating that these were precursors to ROs. Furthermore, RNA replication was asynchronous as cells with RNA at all stages of replication were found at any given time point. Our probes detected the SARS-COV-2 variants of concern, and BA.1 strain exhibited slower rate of replication kinetics than the WA1 strain. Our results provide insights into the kinetics of SARS-CoV-2 early post-entry events, which will facilitate identification of new therapeutic targets to early stage replication to combat COVID-19.

The Zika virus (ZIKV) epidemic brought new discoveries regarding arboviruses, especially flaviviruses, as ZIKV was described as sexually and vertically transmitted. The latter shows severe consequences for the embryo/fetus, such as congenital microcephaly and deficiency of the neural system, currently known as Congenital ZIKV Syndrome (CZS). To better understand ZIKV dynamics in trophoblastic cells present in the first trimester of pregnancy (BeWo, HTR-8, and control cell HuH-7), an experiment of viral kinetics was performed for African MR766 low passage and Asian-Brazilian IEC ZIKV lineages. The results were described independently, and demonstrated that the three placental cells lines are permissive and susceptible to ZIKV. We noticed cytopathic effects that are typical in vitro viral infection in BeWo and HTR-8. Regarding kinetics, MR766lp showed peaks of viral loads in 24 and 48 hpi for all cell types tested, as well as marked cells death after peak production. On the other hand, HTR-8 lineage inoculated with ZIKV-IEC exhibited increased viral production in 144 hpi, with a peak between 24 and 96 hpi. Furthermore, IEC had peak variations of viral production for BeWo in 144 hpi. Both cells types continued alive during the process of viral replication. Considering such in vitro results, the hypothesis that maternal-fetal transmission is probably a way of virus transmission between the mother and the embryo/fetus is maintained.

It is well-known that the peroxidase enzyme catalyzes the oxidation of different substrates such as 3,3’,5,5’-thetramethylbenzidine, and 3,3’-diaminobenzidine, however, the affinity of different substrates to the enzyme and consequently and catalytic performances of the enzyme toward different substrates is not same, resulting in different kinetics indexes. As the BSA-gold nanozymes are considered artificial peroxidase enzymes, hence, the kinetics indexes of these nanozymes should also be varied by varying their substrate. Hence, in this work, a comparative study was performed on the kinetics performances of BSA-gold nanozymes for enzyme-mediated oxidations of 3,3’,5,5’-thetramethylbenzidine, and 3,3’-diaminobenzidine. The results showed that the Km value of BSA-gold nanozymes was 0.03 mM and 0.72 mM toward TMB and DAB, in order, to reveal the higher affinity (lower Km) of TMB for binding to nanozyme active nodes compared to its alternative substrate, DAB. In contrast, the Vmax was found to be 263 nM sec^-1 and 185 nM sec^-1 for nanozmye-mediated oxidation of TMB and DAB, respectively. The higher Vmax of the nanozyme-mediated oxidation of TMB revealed that the catalytic efficiency of BSA-Au nanozymes toward TMB oxidation is higher (about 1.5-fold) than that of the DAB oxidation. The difference between the kinetic indexes of TMB and DAB may be related to their different oxidation pathways and their different reactivity. In fact, the DAB oxidizes via an n-electron irreversible oxidation pathway to produce an indamine polymer. While TMB nanozyme-mediated oxidation has occurred upon a 2-electron reversible mechanism for the production of a cation radical. These different pathways resulted in different kinetic performances.

Kinetic parameters of SO2 adsorption on unburned carbons from lignite fly ash and activated carbons based on hard coal dust were determined. The model studies were performed using the linear and non-linear regression method for the following models: pseudo first and second-order, intraparticle diffusion, and chemisorption on a heterogeneous surface. The quality of the fitting of a given model to empirical data was assessed based on: R2, R, Δq, SSE, ARE, χ2, HYBRID, MPSD, EABS, and SNE. It was clearly shown that it is the linear regression that more accurately reflects the behaviour of the adsorption system, which is consistent with the first-order kinetic reaction – for activated carbons (SO2+Ar) or chemisorption on a heterogeneous surface – for unburned carbons (SO2+Ar and SO2+Ar+H2O(g)+O2) and activated carbons (SO2+Ar+H2O(g)+O2). Importantly, usually, each of the approaches (linear/non-linear) indicated a different mechanism of the studied phenomenon. A certain universality of the χ2 and HYBRID functions has been proved, the minimization of which repeatedly led to the lowest SNE values for the indicated models. Fitting data by any of the non-linear equations based on the R or R2 functions only, cannot be treated as evidence/prerequisite of the existence of a given adsorption mechanism.

Keywords: grape pomace extracts, encapsulation, freeze-drying, bioaccessibility, phenolic compounds

Matter grows and self-assembles to produce complex structures such as virus capsids, carbon fullerenes, proteins, glasses, etc. Due to its complexity, performing pen-and-paper calculations to explain and describe such assemblies is cumbersome. Many years ago, Richard Kerner presented a pen-and-paper path integral approach to understand self-organized matter. Although successfully addressed many important problems including the yield of fullerene formation, the glass transition temperature of doped chalcogenide glasses, the fraction of boroxol rings in B2O3 glasses, the first theoretical explanation for the empirical recipe of window and Pyrex glass and the understanding of virus capsid self-assembly, still is not the primary choice when tackling similar problems. The reason lies in the fact that it diverges from mainstream approaches based on the energy landscape paradigm and non-equilibrium thermodynamics. In this context, a critical review is presented, demonstrating that the Richard Kerner method is, in fact, a clever way to identify relevant configurations. Its equations are simplified, common physical sense versions to those found in the energy landscape kinetic equations. Subsequently, the utilization of equilibrium Boltzmann factors in the transition Markov chain probabilities is analyzed within the context of local two-level energy landscape models kinetics. This analysis demonstrates that their use remains valid when the local energy barrier between reaction coordinate states is small compared to the thermal energy. This finding places the Richard Kerner model on par with other more sophisticated methods and, hopefully, will promote its adoption as an initial and useful choice for describing the self-agglomeration of matter.

The microbiome is critical to the function of higher organisms and the gastrointestinal microbiome in chief among them. We do not know what impact the spaceflight GI microbiome has on organismal health in the absence of other confounding factors. We used a fecal transplant model to address this question and we found that we can recapitulate some of the functional aspects of the spaceflight microbiome on the ground but the impact on organismal health was ambiguous showing neither a defined improvement nor a impairment to lymph transport, growth, or immune populations. Histidine treatment was able to alter some of the functional aspects of the microbiome. Overall it we can conclude that the spaceflight microbiome is not pathological but has distinct impacts on organismal health.

In this study, differences in the kinetics of thermal-supported hydrolytic degradation of poly(lactic acid) (PLA) sample wet spinning fibres due to material variance in the initial molecular and supramolecular structure were analysed. The investigation was carried out at the microstructural and molecular levels by using readily available methods such as scanning electron microscopy, mass erosion measurement and estimation of intrinsic viscosity. The results show a varying degree of influence of the initial structure on the degradation rate of studied PLA fibres. The experiment shows that hydrolytic degradation at a temperature close to the cold crystallization temperature on a macroscopic level is definitely more rapid for the amorphous material, while on a molecular scale it is similar to a semi-crystalline material. Further, for the adopted degradation temperature of 90 °C, a marginal influence of pH of the degradation medium on the degradation kinetics was also demonstrated