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.

This study presents a comprehensive investigation into the spectrum and determinants of child abuse and neglect in Nkpor-Uno, a community in Anambra State, Nigeria. Through a descriptive surveys design, the study explores various forms of abuse and neglect experienced by children, as well as the underlying factors contributing to these phenomena. The population for the study consisted of 1000 parents/ caregivers who are residents of Nkpor-uno. The sample for the study consisted of 100 respondents, purposive sampling techniques was used for the study. The questionnaire was a self-designed structured questionnaire. Data collected were analyzed using frequency, mean and standard deviation. Findings reveal alarming prevalence rates of child maltreatment, including physical, emotional, sexual abuse, and neglect. Socioeconomic factors such as poverty, parental substance abuse, family dynamics, and inadequate sex education emerged as significant contributors to child maltreatment. The study underscores the urgent need for targeted interventions and support systems to address the root causes of abuse and neglect and safeguard the well-being and development of children in Nkpor-Uno. By raising awareness, enhancing access to resources, and promoting positive parenting practices, we can strive towards building a safer and healthier environment for children, ensuring they are protected from harm and given the opportunity to thrive.

The focus of this work lies in the construction of monitoring system designed in the form of a patch using a long-lasting potentiometric electrolyte concentration sensor from metal electrodes, in a galvanic cell configuration Mg(s)|NaCl(aq)|Cu(s). Initially, a mathematical analysis was conducted on the expected sensor output through the Nernst equation. The experimental phase involved conducting controlled tests in the laboratory using various molar concentrations of sodium chloride (NaCl) in aqueous solution. Results showed that the electrolyte sensor allows for monitoring electrolyte levels in NaCl in the range of 0.02 to 1 M/L, with electrode lifespan exceeding 10 days. On the other hand, when patch is using human sweat during controlled exercise routines, it showed the sensor's capability for monitoring changes in the subjects' hydration levels in real time. The sensor output potential is greater than 1.7 volts when the sensor electrodes are in contact with human sweat, which is equivalent to measuring molar concentrations at normal hydration and moderately high hydration levels. Sensor results indicate that the system can function in a self-powered manner without external batteries. Additionally, the extended lifespan of its electrodes allows for continuous monitoring of imbalances in the human body, showcasing the system capability for long-term health assessment.

Hydration and fluids detected with bioimpdance can be confounderdby ecw expansion and overload. to estimates with sufficient accuracy body fat A confrontation with imaging and dxa is confirmatory

Collagen is a triple-helical protein unique to the extracellular matrix, conferring rigidity and stability to tissues such as bone and tendon. For the [(PPG)10]3 collagen-mimetic peptide at room temperature, our molecular dynamics simulations show that these properties result in a remarkably ordered first hydration layer, of water molecules hydrogen-bonded to the backbone-carbonyl (bb-CO) oxygen atoms. This originates from the following observations. The radius of gyration attests that the PPG triplets are organized along a straight line, so that all triplets (excepting the ends) are equivalent. The solvent accessible surface area (SASA) for the bb-CO oxygens shows a repetitive regularity for every triplet. This leads to bb-CO⋯HOH occupancy following a similar regularity, similar also to the crystal-phase 0-2-1 water occupancy in the P-P-G triplet. The regularity is maintained in spite of the sub-nsec water exchange rate, because the bb-CO sites rarely remain vacant. The manifested ordered first-shell water molecules are expected to produce a cylindrical electrostatic potential around the peptide, that might guide cation diffusion in its vicinity.

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.

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.

Sweat rate and electrolyte losses have a large inter-individual variability, a personalized approach to hydration can overcome this issue to meet an individual’s needs. This study aimed to investigate the effects of personalized hydration strategy (PHS) on fluid balance and intermittent exercise performance. Twelve participants conducted 11 laboratory visits including a VO2max test and two 5-day trial arms under normothermic (NOR) or hyperthermic (HYP) environmental conditions. Each arm began with 3-day of familiarization exercise following by two random exercise trials with a either PHS or control (CON). Then, participants crossed-over to the second arm for: NOR+PHS, NOR+CON, HYP+PHS, and HYP+CON. The PHS was prescribed according to participants’ fluid and sweat sodium losses. CON drank ad-libitum of commercially-available electrolyte solution. Exercise trials consisted of two phases: 1) 45min constant workload; 2) high-intensity intermittent exercise (HIIT) until exhaustion. PHS had a significantly greater fluid intake compared to CON. HYP+CON produced the lowest sweat sodium concentration. HYP+PHS had a lower thirst perception and a longer HIIT compared to HYP+CON. Thus, PHS reinforces fluid intake and successfully optimizes hydration status, regardless of environmental conditions. PHS may be or is an important factor to preventing negative physiological consequences during high-intensity exercise in the heat.

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.

Although the need to assess hydration is well recognized, laboratory tests and clinical impressions are impractical and lack sensitivity to be clinically meaningful. Different approaches use bioelectrical impedance measurements to overcome some of these limitations and aid in classification of hydration status. One indirect approach utilizes single or multiple frequency bioimpedance in regression equations and theoretical models, respectively, with anthropometric measurements to predict fluid volumes (bioelectrical impedance spectroscopy; BIS) and estimate fluid overload based on deviation of calculated to reference extracellular fluid volume. Alternatively, bioimpedance vector analysis (BIVA) uses direct phase-sensitive measurements of resistance and reactance, measured at 50 kHz, normalized for height, then plotted on a bivariate graph, resulting in a vector with length related to fluid content normalized by standing height, and direction with phase angle that indexes hydration status. Comparison with healthy population norms enables BIVA to classify (normal, under- and over-) and rank (change relative to pre-treatment) hydration independent of body weight. Each approach has wide-ranging uses in evaluation and management of clinical groups with overhydration with an evolving emphasis on prognosis. This review discusses the advantages and limitations of BIS and BIVA for hydration assessment with comments on future applications.

Human serum albumin (HSA) corona formation at polymer microparticles of a spheroidal shape was studied using dynamic light scattering and laser Doppler velocimetry (LDV). Physicochemical characteristics of the albumin comprising, the zeta potential and the isoelectric point were determined as a function of pH for various ionic strengths. Analogous characteristics of the polymer particles were carried out. The adsorption of albumin on the particles was monitored by electrophoretic mobility measurements (LDV). The stability of the HSA functionalized particle suspensions under various pHs and their electrokinetic properties were determined. The deposition kinetics of the particles on mica, silica and gold sensors were determined in situ by optical microscopy, AFM and by the quartz microbalance (QCM) under diffusion and flow conditions. The obtained results were interpreted in terms of the coarse-grained random sequential adsorption model that allowed to estimate the range of applicability of QCM for determining deposition kinetics of virus and bacteria at abiotic surfaces.

Nephrolithiasis affects around 10% of the population and is frequently associated with impaired dietary factors. The first one is insufficient fluid intake inducing reduced urine volume, urine supersaturation, and subsequently urinary lithiasis. Kidneys regulate 24-hour urine volume, which, under physiological conditions, approximately reflect daily fluid intake. Increasing fluid intake has a preventive effect on the risk of developing a first kidney stone (primary prevention) but also decreases the risk of stone recurrence (secondary prevention). Current guidelines recommend increasing fluid intake at least at 2.5L /day to prevent stone formation, and even at 3.5-4L in some severe forms of nephrolithiasis (primary or enteric hyperoxaluria or cystinuria). Fluid intake must also be balanced between day and night, to avoid urinary supersaturation during the night. Patients should be informed and supported in this difficult process of increasing urine dilution, with practical ways and daily routines to increase their fluid intake. The liquid of choice is water, which should be chosen depending on its composition (such as calcium, bicarbonate or magnesium content). Finally, some additional advices have to be given to avoid some beverages such as those containing fructose or phosphoric acid, which are susceptible to increase the risk of nephrolithiasis.

Ecological ternary cements (ECP) were perpared with powders of phosphogypsum (PG), fly ash (FA) and portland cement (PC). The evolution mechanism of the hydration product structure was characterized through macro and micro experiments.The thermodynamic characteristics of solid phase, solid solution phase and aqueous solution in process of hydration about phosphogypsum-fly ash-cement ternary cementitious system were studied based on the Gibbs-free-energy C-S-H thermodynamic model and GEM-Selektor software, and compared with experimental results. The results show that in the hydration reaction the thermodynamic interaction between mineral single-phase and hydration products plays an important role in the spatio-temporal distribution of ions in the cementitious system. The values of CaO、SiO2Hand H2Ohyd gradually increased with the increase of Ca/Si ratio, while the values of CaOext and H2OOH showed a positive proportional relationship, and the values of SiO2H and SiO2 showed an inverse proportional relationship. GEM-Selektor is accurate in the simulation calculation of the total amount of AFt and AFm mineral phases which quantitatively analysis the correlation between C-S-H gels formation and C3S with complex decomposition ion groups.

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.

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.

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.

Background A body composition monitor (BCM) has a role not only in determining over-hydration (OH) but also as an aid to nutritional assessment. For dialysis patient-specific clinical applications of BCM, it is necessary to clarify the relationship between body composition parameters and OH in healthy Chinese individuals. Methods This cross-sectional study involved 314 healthy individuals with a mean age of 45.7±13.1 years. BCM measurements were performed while the subjects were fasting. Results The mean OH level was 0.379±0.81 L. Lean tissue index (LTI) and Lean tissue mass (LTM) were significantly higher in males (p<0.001), while fat tissue index (FTI) was significantly higher in females (p<0.001). In univariate correlation analysis, FTI, Fat, and ATM had a negative correlation with OH in females and all subjects (p<0.05), while LTM and BCM had a positive correlation in all subjects (p<0.05). There was a significant negative correlation between phase angle (PhA) and OH in males, females, and all subjects (r=-0.634, p<0.001; r=-0.666, p<0.001; r=-0.484, p<0.001, respectively). In multivariate linear regression analysis, PhA (b=-1.266, p<0.001), LTM (b=0.987, p<0.001), age (b=-0.307, p<0.001) were independent predictors of OH. Conclusions This study demonstrated that age, LTM and especially PhA, had important roles in predicting OH in healthy Chinese individuals. In the future, PhA may aid in clinical assessment by helping to titrate dry weight among hemodialysis patients with malnutrition.

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.

In flowering plants with dry stigmas, pollen hydration involves water movement, which may be facilitated by aquaporins. To explore the possibility underlying this biological process, we identified and characterized a mutant with a T-DNA insertion in PIP2;5, which encodes an aquaporin with water channel activity in the PIP2 subfamily. We monitored the pollination process (pollen hydration, germination, and pollen tube growth) of wild type pollen on stigmas of the mutant and wild type. Pollen hydration was postponed on the stigmas of the mutant, compared with that on wild type stigmas. However, pollen tube germination and growth was unaffected in the mutant. The PIP2;5 protein was located in the cell plasma membrane and was preferentially expressed in the stigma. Based on our results, we concluded that PIP2;5 might play an important role in water movement during pollen hydration.

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.

Steel slag and GBFS are wastes generated during the steel and iron smelting process, characterized by their considerable production rates and extensive storage capacities. After grinding, they are often used as supplementary cementitious materials. However, the intrinsic slow hydration kinetics of steel slag-GBFS cementitious material (SGM) when exposed to a pure water environment result in prolonged setting times and diminished early-age strength development. The incorporation of modifiers such as gypsum, clinker, or alkaline activators can effectively improve the various properties of SGM. This comprehensive review delves into existing research on the utilization of SGM, examining their hydration mechanisms, workability, setting time, mechanical strengths, durability, and shrinkage. Critical parameters including the performance of base materials (water-to-cement ratio, fineness, and composition) and modifiers (type, alkali content, and dosage) are scrutinized to understand their influence on the final properties of the cementitious materials. The improvement mechanisms of various modifiers on properties are discussed. This the promotes resource utilization of industrial solid wastes and provides theoretical and technical support for the application of SGM.

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.

Under the action of cement hydration heat, construction environment, thermal insulation measures, and pipe cooling system, the mass concrete pile cap produces a complex temperature field inside the structure, which makes it difficult to control the internal surface temperature difference, the maximum adiabatic temperature rise and the surface temperature of the structure. In this paper, the mass concrete pile cap of a super large bridge (the length, width, and height are 26.40m，20.90m, and 5.00m, respectively, and the central pier pile cap is constructed with concrete with a strength of C40) is taken as the research support project. The controlling factors affecting the temperature field of the mass concrete pile cap are found by comparing the temperature monitoring of the pile cap with the calculated value of finite element software simulation analysis. Through the finite element software Midas Civil and Midas FEA, the control factors affecting the temperature field of the main pier cap (concrete mold temperature, concrete surface convection coefficient, ambient temperature, and pipe cooling system parameters, etc.) are numerically analyzed, and the influence law and influence degree of the control factors are found out.

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.

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.

The demand for sustainable cosmetics leads to the search for natural and biotechnology ingredients. The present study reports the development of multifunctional lip moisturizer containing levan (LEV) from Bacillus subtilis natto, sophorolipids (SOP) from Starmerella bombicola and Citrus paradisi (OCP) essential oil , using simplex-centroid experimental design. The formulations were evaluated physicochemically, pharmacotechnically and by DPPH assay. The optimized formulation was selected through Response Surface Method and the evaluation of its efficiency in lip hydration was carried out using bioimpedance method and sensory analysis. The formulations showed pH compatible with the lip region and remained stable after centrifuge test and thermal stress in preliminary stability. Spreadability varied between 415.3 and 1217.1 mm2, moisture retention was above 95%, and antioxidant capacity was around 50% for all formulations. The optimized formulation, containing 0.4% LEV and 0.8% SOF, helped to maintain the lip hydration already shown by the participants; 85% of them reported improvement in this aspect. The incorporation of these actives is innovative and helps in the development of future works, through the use of a new non-invasive and low-cost technique, not previously described in other studies, in association with relevant sensory analyzes in the field of cosmetology.

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.

The quantity, makeup, and distribution of bodily fluids have a significant impact on the cognitive and physiological health of individuals. The knowledge of an individual on the recommended daily Total Water Intake (TWI) by the World Health Organization (WHO) and the European Food Safety Authority (EFSA) influences the practice of Adequate Water Intake (AWI). To sufficiently measure the knowledge of hydration, it is expedient to develop and validate a scale to adequately measure knowledge of the recommended daily Total Water Intake (TWI). Hence, this study aims to develop an 11-items scale to measure the Knowledge of hydration (KH-11) and evaluate its psychometric properties among foreign student at Óbuda University, Hungary. The novelty of this study is the development of an 11-item scale to measure the knowledge of hydration among students at Óbuda University, Hungary.

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.

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.

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.

This study aims to investigate the hydration and strength characteristics of green cementitious mortars with ultrahigh-volume limestone-calcined clay as well as two kinds of Class F fly ash. Using the ASTM C311 strength activity index test method, the effect of different pozzolan replacement levels of cement (0%, 20%, 50%, and 80%, by weight) were investigated. Compressive strength at 3, 7, 14, 28 and 90 days under standard curing was recorded, and hydration heat of the 20% and 80% replacement mixes was studied using iso-thermal calorimetry. It was observed that the effectiveness of the pozzolan in mortars depends on particle size distribution, glassy or amorphous nature, surface area and replacement level. The sum of all these effects can be captured by the strength activity test only if the standard recommended 20% pozzolan mix is substituted with the actual mix composition. The results in this study provide insights into the mix design and applications of ultrahigh-volume pozzolanic cementitious materials specifically made with limestone-calcined clay, and promote greener cement and concrete in construction industry.

The production of municipal solid waste incineration bottom ash (MSWIBA) is very massive and has the potential to replace cement despite the problems of complex composition, uneven particle size distribution, and low reactivity. This paper adopts sodium silicate activation of MSWIBA-slag to improve the reactivity to prepare composite cementitious materials. It explores the hydration performance study of the composite cementitious materials by isothermal calorimetric analysis, Fourier Transform Infrared (FTIR) spectroscopy, XRD physical diffraction analysis, and SEM/EDS tests. SEM/EDS tests will be used to explore the hydration properties of the composite gelling. The results showed that with the increase of MSWIBA doping, the porosity between the materials increased, the degree of Hydration decreased, and the compressive strength decreased with the rise of MSWIBA. When sodium silicate increased from 25% to 35%, too much alkaline material occurred over the alkaline effect, which inhibited the Hydration of the particles, and the degree of hydration reaction decreased, and the compressive strength decreased accordingly; the exothermic process of Hydration can be mainly divided into five stages, quartz and calcite did not participate in the hydration reaction completely, and sexual aluminum participated in the hydration reaction. The vibrational peaks of Si-O-Ti (T = Si and Al) were present in the material. The vibrational peaks of XRD, FTIR, and SEM-EDS all indicate the presence of silica-aluminate network structures in the hydration products, mainly N-A-S-H and C-A-S-H gels.

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 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.

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.

In recent decades, there has been a rising demand for anti-aging interventions aimed at postponing or potentially reversing indicators of skin aging. The use of collagen-based nutraceutical supplements has gained popularity as they have shown promise in enhancing skin health and reducing signs of aging. The aim of this randomized, placebo-controlled, blinded study was to investigate the effects of 2.5 g COLLinstant® LMW, a novel cosmeceutical containing low molecular weight (≤ 1000 Da) collagen peptides, on skin aging and health. The trial was conducted in 80 healthy women aged 30 years and older. They received a daily oral dose of either the food supplement (n = 40) or placebo (n = 40) for six weeks. Skin assessment was performed based on validated objective methods, such as Visioface 1000D (skin wrinkling), cutometry (elasticity and fatigue) and corneometry (skin hydration) at baseline (T0), and at week 6 (T6). After 6 weeks, participants that received collagen had significant improvements in biometric skin wrinkle parameters from baseline, with a reduction in volume by 46%, in area by 44%, and in depth by 9%, along with a greater increase in skin moisturization (by 34%) than those in the placebo group (p &lt; 0.001). The food supplement did not significantly modify skin firmness or fatigue and had only slight beneficial effects on skin elasticity. The investigational product was well tolerated. The observed effects aligned closely with the subjective assessments reported by study participants. The study provides substantiated evidence supporting the efficacy of low molecular weight collagen peptides in restoring altered skin biometric parameters, as objectively assessed. Thus, regular supplementation with this nutraceutical may contribute to achieving smoother and more radiant skin.

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.

Traditionally it has been thought necessary to lose 2% of body mass due to dehydration, before functioning is disrupted, although recently adverse effects have been reported with a loss of 0.5-0.7%. It is, however, unclear whether the response to small decreases in mass reflects dehydration, mechanisms that help to adapt to a loss of bodily fluid, or a placebo effect. Individuals were therefore subject to a temperature of 30°C for three hours, and mood and cognition monitored. To explore the possibility of a placebo response, the consumption of plain or coloured water was compared. To consider changes in hydration status, drinks known to differ in their ability to rehydrate were contrasted. Not drinking was disruptive, although a combination of plain water and electrolyte’s most effectively prevented a decline in functioning, indicating a role for rehydration after a loss of 0.52% body mass. There was, however, also evidence of a placebo response: a combination of plain water and electrolytes was better able to prevent a decline in functioning than coloured plain water and electrolytes. As increased anxiety was a robust response, it was discussed whether the renin–angiotensin–aldosterone system might be part of the mechanism.

Granulites and associated dykes from the less well studied southern Ivrea-Verbano Zone (IVZ; around Ivrea town) are characterized by combining field, macro, micro and chemical (major and trace-element mineral composition) data in order to identify chemical and rheological variations in the lower crust that could be relevant for geodynamic implications. The Ivrea granulites are similar to those belonging to the Lower Mafic Complex of the central IVZ. The mafic lithologies experienced a stealth metasomatism (pargasitic amphibole and An-rich plagioclase) that occurred at suprasol-idus conditions by a pervasive reactive porous flow of mantle-derived orogenic (hydrous) basaltic melts infiltrated along relatively few, likely deformation-assisted, channels. Similar metasomatic melts are already reported in the central and northern IVZ, suggesting a massive regional hydration of the lowermost Southalpine mafic crust during the Early Mesozoic. The plastic behavior of the lowermost part of the crust, induced by its metasomatic hydration, could have promoted the Tri-assic extension of the Variscan crust and the beginning of the Alpine cycle.

In the study, ground granulated blast furnace slag was activated with a wide variety of sodium salts to compare the effect of their pH and anion size on the hydration progress and compressive strength development of GGBFS pastes. Research was carried out on samples activated with twelve different sodium salts, cured for one year. Changes in their phase composition (XRD), loss on ignition at different temperatures, expansion and microstructure (SEM+EDS) were examined over the entire curing period. Studies have shown that the presence of sodium ions is more important than the pH of the system, as activation took place even in the case of compounds whose solutions are characterized by low pH, such as sodium tartrate or phosphate. The compressive strength of the pastes ranged from approximately 8 to 65 MPa after one year of curing.

Background: COVID-19, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a global pandemic affecting approximately 490,000 people and accounting for more than 22,000 deaths and has no generally acceptable cure. Here, the recently resolved 3D structure of SARS-CoV-2 receptor binding domain (RBD) in complex with its receptor-the angiotensin converting enzyme-2 (ACE-2) have provided the basis for screening chemical database for novel entry inhibitors. Methods: Molecular docking protocols have been used to rapidly screen FDA database for high affinity interaction at the SARS-CoV-2-RBD/ACE-2 interface. One of the top candidates, ubrogepant has been selected and further studied using atomistic molecular dynamics simulation method. Results: Molecular docking result showed that ubrogepant (UBR) and darunavir have binding energies of -10.4 kcal/mol. MMPBSA free energy analyses of UBR bound to RBD, ACE-2 and RBD/ACE-2 revealed RBD/ACE-2 > ACE-2 > RBD preference. Network analysis showed that interaction captured in the crystal structure were disrupted in UBR-bound state, hydration of the interface and increased atomic fluctuation within the RBD oligomerization interface and ACE-2 zinc binding site. Conclusions: The ability of ubrogepant to rupture the interaction at the RBD/ACE-2 interface residues of SARS-CoV-2 RBD/ACE-2 complex may result in loss of protein function with direct implication on oligomerization formation in RBD and loss of function in ACE-2 thus, making binding, cellular receptor recognition impossible. General Significance: Ubrogepant represents a new therapeutic candidate in the fight against COVID-19, as it binds with relatively high affinity with free RBD, ACE-2 receptor and SARS-CoV-2 RBD/ACE-2 complex based on binding affinity calculations.

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.

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 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.

Background: Instrument-assisted soft tissue mobilization (IASTM) is thought to alter fluid dynamics in human soft tissue. The aim of this study was to investigate the influence of IASTM on the thoracolumbar fascia (TLF) on the water content of the lumbar myofascial tissue. Methods: 21 healthy volunteers were treated with IASTM. Before and after the procedure and 5 and 10 minutes later, lumbar bioimpedance was measured by bioimpedance analysis (BIA) and TLF stiffness by indentometry. Tissue temperature was recorded at the measurement time points using an infrared thermometer. Results: Bioimpedance increased significantly from 58.3 to 60.4 Ω (p < 0.001) at 10-minute follow-up after the treatment. Temperature increased significantly from 36.3 to 36.6° Celsius from 5 to 10 minutes after treatment (p = 0.029), while lumbar myofascial stiffness did not change significantly (p = 0.84). Conclusions: After the IASTM intervention, there was a significant increase in bioimpedance, likely due to a decrease in water content in myofascial lumbar tissue. Further studies in a randomized control trial design are needed to extrapolate the results in healthy subjects to a symptomatic population as well and to confirm the reliability of BIA in myofascial tissue.

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.

Increasing utilization of secondary raw materials and alternative fuels results in increasing contents of metals in cements. One of elements, the content of which keeps rising in cement is zinc. It comes to cement with secondary raw materials such as slag or fly ash or by the utilization of used tires as an alternative fuel. Zinc ions significantly prolong the hydration process in cement. This work deals with the influence of zinc ions in the form of very poorly soluble ZnO salt and easily soluble ZnCl2 and Zn(NO)3 on the hydration of cement blended with fly ash. Zinc was dosed in the range of 0.05, 0.1, 0.5 a 1% of cement weight. Final products were next analyzed using X-Ray Diffraction.

Oleogels are of high interest as promising substitutes for trans fats in foods. An emulsion-templated method was used to trap olive oil in the chitosan crosslinked with vanillin matrix. Oil in water emulsions (50:50 w/w) with different chitosan content (0.7 and 0.8% w/w) with constant vanillin/chitosan ratio (1.3) were air-dried at different temperatures (50, 60, 70 and 80ºC) and freeze-dried (-26ºC and 0.1 mbar) to produce oleogels. Only falling-rate periods were determined during air-drying kinetics and were successfully modelled with empirical and diffusional models. At drying temperature of 70ºC the drying kinetics were the fastest. Viscoelasticity of oleogels showed that elastic modulus significantly increased after drying at 60 and 70ºC, and those dried at 50ºC and freeze-dried were weaker. All oleogels showed high oil binding capacity (&gt; 91%), but the highest values (&gt; 97%) were obtained in oleogels with a threshold elastic modulus (50,000 Pa). Oleogels color depended on drying temperature and chitosan content (independent of the drying method). Significant differences were observed between air-dried and freeze-dried oleogels with respect to oxidative stability. Oxidation increased with air drying time regardless of chitosan content. Found results indicated that drying conditions must be carefully selected to produce oleogels with specific features.

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).

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.

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.

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.

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.

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].

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.

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.

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.

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.

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.

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.

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.

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.