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.

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

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

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.

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

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.

Three kinds of inorganic alkali are introduced into tetraethylenepentamine (TPEA) and polyethyleneimine (PEI) modified MCM-41 as the CO2 adsorbents. FT-IR and TGA are used to characterize the surface groups and the thermal stability of adsorbents. Chemical titration method is used to measure the alkali amounts of adsorbents. Thermo-gravimetric analysis with 10%CO2/N2 as the simulated flue gas is used to test the CO2 adsorption performance of adsorbents. The results show that all three kinds of inorganic alkali containing adsorbents exhibit promoted CO2 adsorption capability than traditional TPEA and PEI modified samples. Ca(OH)2 and PEI modified samples exhibit the highest adsorption capacity and stable regeneration property. The introduction of inorganic alkali changes the chemical adsorption mechanism between CO2 and increases the effective alkali amounts due to its hydroxyl groups. The CO2 adsorption capacities have a linear dependence relation with the alkali amounts of adsorbents, indicating that alkali amount is a critical factor for novel adsorbents exploring.

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.

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

The results of the investigation showed that second-order kinetics govern the adsorption process, and the corresponding rate constants were found. To evaluate the parameters related to the adsorption process, the adsorption equilibrium was examined using a variety of mathematical models, such as the Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich isotherm models. The Langmuir isotherm was found to be the best appropriate among all models for describing the adsorption of Cu2+ and Ni2+ ions using bio-nanocomposite beads. The positive values of ΔH° indicate that the adsorption is physical and endothermic, in agreement with experimental results. The negative value of ∆G° shows that the adsorption process is spontaneous. Positive ΔS° values indicate increased randomness at the solid/liquid interface, during adsorption of Cu2+ and Ni2+ cations onto the engineered bio-nanocomposite. The maximum adsorbed amounts of metal ions by the bio-nanocomposite used were 370.37 mg/g for Ni2+ and 454.54 mg/g for Cu2+ from single system. For the binary system, according to the Langmuir isotherm, the maximum adsorbed amounts of Ni2+ and Cu2+ were 357.14 mg/g and 370,37 mg/g, respectively. There is proof that Alginate-Moroccan clay bio-nanocomposites can serve as a different, less expensive source of sorbents for the removal of metal ions from single and binary systems.

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 < 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.

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

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

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.

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

The temperature effect plays an important role for an accurate determination of the polar free energy, polar thermodynamic parameters, and enthalpic and entropic Lewis’s acid base properties of oxides, polymers and composites polymers/oxides. The adsorption of polymers on other solid surfaces is crucial in many industrial applications, coatings, paints, catalysis, colloids and adhesion processes. (1) Background: Inverse gas chromatography at infinite was used for the physico-chemical characterization of solid substrates by determining the thermodynamic parameters of adsorption of model organic solvents on solid surfaces such as polymers, metallic oxides, carbon fibers, pharmaceutical or 3D/4D printing substrates. (2) Methods: A new method based on the London dispersion equation was applied with a new parameter associating the deformation po-larizability and the harmonic mean of the ionization energies of solvent. More accurate values of the dispersive and polar interaction energies of the various organic solvents adsorbed on PMMA in bulk phase and PMMA/silica at different recovery fractions were obtained as well as the Lewis acid-base parameters and the transition temperatures of the different composites. (3) Results: This new methodology gave very interesting results on the behavior of PMMA adsorbed on silica. An important effect of the temperature and the recovery fraction on the various physicochemical and thermodynamic properties was highlighted. The variations of all interaction parameters showed the presence of three transition temperatures for the different PMMA adsorbed on silica with the various coverage rates with a shift of these temperatures for a recovery fraction of 31% (4) Con-clusions: An important variation of the polar enthalpy and entropy of adsorption, the Lewis ac-id-base parameters and the intermolecular separation distance as a function of the temperature and the recovery fraction of PMMA on silica.

Even in the first quarter of XXI century, the presence of organic dyes in wastewaters is a normal occurrence in a series of countries, and being these compounds toxics, their removal from these waters is of a necessity. Among the separation technologies, adsorption processing appeared as one of the most widely used to reach this goal. The present work reviewed the most recent approaches (first half of 2021 year) about the use of a variety of adsorbents on the removal of, also, a variety of organic dyes of different nature.

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.

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.

Layered Ti3C2Tx MXene has been successfully intercalated and exfoliated with the simultaneous generation of a 3D silica network by treating its cationic surfactant intercalation compound (MXene-CTAB) with an alkoxysilane (TMOS) resulting in a MXene-silica nanoarchitecture that exhibits porosity along with the intrinsic properties of MXene (e.g., photothermal response). The ability of these new materials to produce thermal activation reactions of compounds previously adsorbed on MXene-SiO2 is shown here. For this purpose, the pinacol rearrangement reaction has been selected as a first model example, testing the effectiveness of NIR laser-assisted photothermal irradiation in these processes. This work shows that Ti3C2Tx – based nanoarchitectures open new avenues for applications that rely on the combined properties inherent to their integrated nanocomponents that could be extended to the broader MXene family.

In order to study the adsorption process and adsorption characteristics of shale oil at the macro scale, the isothermal adsorption experiments of illite and kerogen on heptadecane (oil phase) solution were carried out by infrared spectrophotometry and gas chromatography-mass spectrometry. The reaction mechanism of alkane solution concentration and temperature in the adsorption process was investigated. The adsorption characteristics of heptadecane on the surface and pores of illite and kerogen were elucidated by adsorption isotherm model and adsorption thermodynamic model. The results show that: The concentration of alkane solution contributes to the adsorption of illite and kerogen. As the concentration of the solution continues to increase, the adsorption rate gradually slows down. However, the temperature hardly affects the adsorption rate. At 25℃, 50℃ and 60℃, the adsorption process of illite on alkane solution is more consistent with Langmuir model and Freundlich model, respectively. The difference is that Langmuir model is suitable for describing the whole adsorption process of kerogen on alkane solution. 3) The adsorption process of illite and kerogen to heptadecane solution is an endothermic reaction. Heating helps to accelerate the migration rate of alkanes, which is conducive to the adsorption reaction. The research results clarify the adsorption characteristics of shale oil heavy components from the macro level, and fill the research gap in the application of solid-liquid isothermal adsorption physical experiments to the adsorption and occurrence of shale oil.

Carbamazepine (CBZ) is one of the most common emerging contaminants released to the aquatic environment through domestic and pharmaceutical wastewater. Due to its high persistence through conventional degradation treatments, is considered a typical indicator for anthropogenic activities. This study tested the removal of CBZ through two different clay-based purification techniques: adsorption of relatively large concentrations (20-500 μmol L-1) and photocatalysis of lower concentrations (&lt;20 μmol L-1). The sorption mechanism was examined by FTIR measurements, exchangeable cations released, and colloidal charge of the adsorbing clay materials. Photocatalysis was performed in batch experiments under various conditions. Despite the neutral charge of carbamazepine, the highest adsorption was observed on negatively charged montmorillonite-based clays. Desorption tests indicate that adsorbed CBZ is not released by washing. The adsorption/desorption processes were confirmed by ATR-FTIR analysis of the clay-CBZ particles. A combination of synthetic montmorillonite or hectorite with low H2O2 concentrations under UVC irradiation exhibits efficient homo-heterogeneous photodegradation at μM CBZ levels. The two techniques presented in this study suggest solutions for both industrial and municipal wastewater, possibly enabling water reuse.

The high environmental impact of conventional methods of cooling and heating has increased the need for renewable energy deployment for covering thermal loads. Towards that direction, the proposed system aims at offering an efficient solar powered alternative, coupling a zeolite-water adsorption chiller with a conventional vapor compression cycle. The system is designed to operate under intermittent heat supply of low-temperature solar thermal energy (<90 °C) provided by evacuated tube collectors. A prototype was developed and tested in cooling mode operation. The results of separate components testing showed that the adsorption chiller was operating efficiently, achieving a maximum coefficient of performance (COP) of 0.65. With respect to the combined performance of the system, evaluated on a typical week of summer in Athens, the maximum reported COP was approximately 0.575, mainly due to the lower driving temperatures at a range of 75 °C. The corresponding mean energy efficiency ratio (EER) obtained was 5.8.

The aim of the present study is to provide new insights into the CO2 and CH4 adsorption using a set of biomass-based activated carbons obtained by physical and chemical activation of olive-stones. The adsorption behavior is analyzed by means of pure gas adsorption isotherms up to 3.2 MPa at two temperatures (303.15 and 323.15 K).The influence of the activation method on the adsorption uptake is studied in terms of both textural properties and surface chemistry. For three activated carbons the CO2 adsorption was more important than that of CH4. The chemically activation resulted in higher BET surface area and micropore volume that lead to higher adsorption for both CO2 and CH4. For methane the presence of mesopores seems to facilitate the access of the gas molecules into the micropores while for carbon dioxide, the presence of oxygen groups enhanced the adsorption capacity.

Thermal energy storage (TES) is a key technology to enhance the efficiency of energy systems as well as to increase the share of renewable energies. In this context, the present paper reports a literature review of the recent advancement in the field of adsorption TES systems. After a first introduction about different heat storage technologies, the adsorption TES working principle is explained and compared to the other technologies. Subsequently, promising features and critical issues at material, component and system levels are deeply analyzed and the ongoing activities to make this technology ready for marketing are introduced.

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

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

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

The 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.

Large-scale volumetric fracturing is generally used during shale gas development. The return rate of fracturing fluid is low, and a large amount of slickwater will be retained in the reservoir. The adsorption and desorption of partially hydrolyzed polyacrylamide (HPAM), an additive commonly used in slickwater, on the surface of shale was studied using Longmaxi Shale from the Sichuan Basin. The experimental results showed that the mass ratio of the HPAM solution to shale reached saturation adsorption at 20:1 when the concentration of HPAM solution was 1000 mg/L and 25:1 when the concentration of HPAM solution was 500 mg/L. The mass ratio of the HPAM solution to shale was fixed at 25:1, and the adsorption equilibrium was reached at a HPAM concentration of 1000 mg/L when the aqueous solution temperature was 30°C and 800 mg/L when the aqueous solution temperature was 60°C. The Langmuir adsorption model yielded a better fit than the Freundlich adsorption model. The adsorption equilibrium time at 30°C was at 60 min for a HPAM concentration of 500 mg/L, while for a concentration of 1000 mg/L, it was at 90 min. The adsorption equilibrium time at 60°C was 40 min for a HPAM concentration of 500 mg/L, whereas it was 60 min for a HPAM concentration at 1000 mg/L. The pseudo-second order kinetics model yielded better fits than the pseudo-first order kinetics model. The adsorption of HPAM on shale was strong, and the adsorbed HPAM resembled cobwebs adhering to the shale surface. HPAM on the surface of shale after adsorption could resist the desorption capacity of water. However, when the amount of adsorbed HPAM on shale increased significantly, the amount of residual HPAM on the surface of the shale decreased rapidly during desorption in deionized water. The desorption of HPAM on the shale surface followed a modified desorption model. The higher the concentration of HPAM adsorbed on the shale surface was, the easier it was to desorb, the easier it was to be removed from the shale.

High levels of groundwater containing both arsenic and fluorine are prevalent, resulting in serious health problems when consumed as drinking water. This co-pollution phenomenon is widespread and requires urgent attention. The multiple forms of arsenic and arsenic-fluorine co-contamination pose a significant challenge to efficiently co-remove both substances. This research utilized a green and stable synthesis approach to create MgLaFe LDO heterostructures, which were anchored on α-MnO2 nanowires. The materials comprise magnesium and lanthanum elements with a powerful attraction towards fluoride ions, elemental iron, which can establish stable compounds with arsenate, and MnO2, which can effectively oxidize arsenous acid, thereby enabling efficient co-removal of arsenic and fluorine. The efficient oxidation process of the MnO2 nanowire and the prompt ion adsorption process of the LDO work together synergistically. The adsorption performance was assessed through isotherm and kinetic fitting. Chemisorption was found to be the process for As(Ⅲ), As(V), and F- adsorption, with As(Ⅲ) going through monolayer adsorption on the surface of MnO2 nanowires, while As(V) and F- were mainly adsorbed by multilayer process on LDO. The maximum adsorption capacities were 111.76 mg/g, 230.51 mg/g, and 765.10 mg/g for As(Ⅲ), As(V), and F-, respectively. The XPS analysis provided further elucidation on the adsorption mechanism of the MnO2@LDO heterostructure, detailing each component's role in the process. The results confirm the successful construction of the heterostructure and its efficient coupling of oxidation and adsorption.

Leather waste was carbonized at 800 °C in inert atmosphere. The resulting biochar was coated in situ with polypyrrole nanotubes produced by the oxidation of pyrrole in the presence of methyl orange. The composites of carbonized leather with deposited polypyrrole nanotubes of various composition were compared with similar composites based on globular polypyrrole. Their molecular structure was characterized by infrared and Raman spectra. Both conducting components formed a bicontinuous structure. The resistivity determined by four-point van der Pauw method was monitored as a function of pressure applied up to 10 MPa. The typical conductivity of composites was of the order of tenths to units S cm−1 and it was always higher for polypyrrole nanotubes than for globular polypyrrole. The conductivity decreased by 1–2 orders of magnitude after treatment with ammonia but still maintained a level acceptable for applications operating under non-acidic conditions. The composites were tested for dye adsorption, viz. cationic methylene blue and anionic methyl orange, using UV-spectroscopy. The composites are designed for the future use as functional adsorbents controlled by the electrical potential.

Air pollution is related to the development of people's livelihood. As one of the main pollutants in the air, formaldehyde affects people's physical and mental health. In order to remove formaldehyde and better protect the health of residents, it is very necessary to develop efficient adsorption materials. In this study, a cellulose composite aerogel Microcrystalline Cellulose/ N-(2- aminoethyl) -3- aminopropyl methyl dimethoxysilane (MCC/APMDS) modified by APMDS was explored. The pore volume and specific surface area of the modified aerogel decreased, the average pore diameter increased, and the adsorption capacity of formaldehyde was stronger. The adsorption experiment shows that the sample prepared under the conditions of APMDS dosage of 6 wt%, reaction time of 4 h and reaction temperature of 90℃ has the largest average pore size (14.56 nm) and the largest formaldehyde adsorption capacity (9.52 mg/g). The excellent adsorption of the composite aerogel is due to high porosity and rich active amino groups on the surface. This study provides valuable information for the preparation of adsorption materials with high formaldehyde adsorption capacity for air purification.

Biochar has high potential usage in retaining various contaminants, wastewater treatment, and water purification. In this study, three rice husk derived biochars with pyrolysis temperature 300, 400 and 500 ºC, respectively, and pristine rice rusk were used to remove cadmium from aqueous solution. The results showed that about 70% or more of Cd2+ adsorption occurred in the first 960 mins of adsorption kinetics. The Cd2+ adsorption capacity under equilibrium increased with increasing pyrolysis temperature, probably attributed to the increased specific surface area (SSA) under higher pyrolysis temperature noting that significant linear correlation occurred between Cd2+ adsorption capacity and SSA. The Cd2+ adsorption could be best fitted by pseudo-second order model relative to Elovich model and pseudo-first order model. The Cd2+ adsorption rates were higher in film diffusion stage, indicating that film diffusion stage was significant and fast in the early stage of Cd2+ adsorption. In contrast, Cd2+ adsorption by intra-particle diffusion accounted for 47.0%, 47.9% and 43.9% on average of the total Cd2+ adsorption, respectively, indicating that intra-particle diffusion of Cd2+ played a more predominant role in limiting Cd2+ adsorption rate. When reaching Cd2+ desorption equilibrium, removal ratio (RR) values were averaged 0.96, 0.91, and 0.90 under three initial concentrations. More than 90 percentage on average of Cd2+ was removed from aqueous solution by biochars and rice rusk as well, thus biochars can be used to efficiently remove contaminants from aqueous environment. Cation exchange, electrostatic attraction, and the complexation with surface functional groups could be the main dominant mechanisms for Cd2+ adsorption-desorption on biochars.

Nanometer-curved surfaces are abundant in biological systems as well as in nano-sized technologies. Properly functionalized polymer-grafted nanoparticles (PGNs) adhere to surfaces with different geometries and curvatures. This work explores some of the energetic and mechanical characteristics of the adhesion of PGNs to surfaces with positive, negative and zero curvatures using Coarse-Grained Molecular Dynamics (CGMD) simulations. Our calculated free energies of binding of the PGN to the curved and flat surfaces as a function of separation distance show that curvature of the surfaces critically impacts the adhesion strength. We find that the flat surface is the most adhesive, and the concave surface is the least adhesive surface. This somewhat counterintuitive finding suggests that while a bare nanoparticle is more likely to adhere to a positively curved surface than a flat surface, grafting polymer chains to the nanoparticle surface inverts this behavior. Moreover, we studied the rheological behavior of PGN upon separation from the flat and curved surfaces under external pulling force. The results presented herein can be exploited in drug delivery and self-assembly applications.

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

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

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

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

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

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

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

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

Activated carbon (AC) is an effective adsorbent for creatinine removal in hemoperfusion. However, the hemocompatibility and adsorption capacity of AC was required to be improved furthermore. Heparin, a widely used anticoagulant biomacromolecule, could improve the hemocompatibility of the absorbents in different ways based on its molecular weight. Thus, it was necessary to study the surface modification with unfractionated heparin (UFH) or low molecular weight heparin (LMWH) on improvement of hemocompatibility and adsorption. In this study, UFH and LMWH were respectively grafted on AC through polyethyleneimine as an intermediate layer. The modification of AC about morphology, mechanical strength and pore structure was characterized by XPS, SEM, TA and BET. It was found that compared with AC, the morphology and mechanical strength AC-UFH and AC-LMWH could be well maintained, but the BET surface was decreased due to the grafting of macromolecules. Furthermore, AC-UFH and AC-LMWH showed the better hemocompatibility on protein adsorption, APTT and platelet activation compared with AC, in which AC-LMWH had lower fibrinogen adsorption and longer APTT than AC-UFH. Besides, it was found that AC, AC-UFH and AC-LMWH had no significant effect on blood cell composition. Finally, the adsorption capacity of adsorbents for creatinine was evaluated. Although there was no significant difference between AC-UFH and AC-LMWH, it was found that heparin could be interacted with creatinine to enhance the adsorption capacity when compared with AC-PEI. This study deepened the understanding of anticoagulation of heparinized surface and provided a theoretical basis for adsorbents in hemoperfusion.

Shale gas and coalbed methane are energy sources that partly or even mainly consist of methane stored in an adsorbed state in the pores of the organic-rich rock and coal seams. In this study, the graphene nanoslit model is employed to model the nanometer slit pores in shale and coal. The Grand Canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) modelling methods are used to investigate the mechanisms of adsorption and displacement of methane in the slit pore. It was found that the CVFF forcefield resulted in the largest adsorption amount, while the PCFF forcefield resulted in the least. The COMPASS and COMPASS II force fields led to similar results. As the width of the slit pore increases, the adsorption amount of gas molecules increases, and the number density profile of adsorbed methane molecules alters from a single adsorption layer to multi-adsorption layers. The minimum slit pore width at which methane molecules can penetrate the slit pore was found to be 0.7 nm. Moreover, it is demonstrated that by lowering the temperature, the adsorption rate of the methane increases since the adsorption is an exothermic process. Enhancing methane recovery was investigated by the injection of gases such as CO2 and N2 to displace the adsorbed methane. The comparison of adsorption isotherms of gas molecules provided the following order in terms of the amount of adsorption: CO2&gt;CH4&gt;N2.

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

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

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

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

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

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

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

Aiming at the removal of radioactive cobalt ions from water by graphene oxide (GO), the adsorption mechanism of Co2+ on graphene oxide was analyzed using the quantum chemical calculation software Gaussian 16 based on the density functional theory. The influence of material structure factors such as carboxyl group, hydroxyl group, epoxy group and graphene sheet as well as external environmental factors such as pH, temperature and interfering ions on the adsorption effect was determined, and the influence of external environment was verified through experiments. Through calculation and experiment, it was found that the existence of oxygen-containing functional groups on graphene oxide can improve the adsorption efficiency of the materialappropriately,and increasing pH under acidic conditions was also helpful to improve the adsorption effect, and the material had certain selectivity for Co2+, the adsorption capacity and selectivity could be further improved when it was modified by increasing hydroxyl group.

A novel polymer containing β-cyclodextrin, α-cyclodextrin, γ -cyclodextrin and chitosan (cy-clodextrin-chitosan) was synthesized, characterized and used for extracting two kinds of pharmaceuticals ibuprofen and progesterone. This polymer is amorphous and porous with a high swelling capacity. The cyclodextrin-chitosan polymer exhibits high extraction capacity towards progesterone and ibuprofen. Add to that, the effect of different operator variables was studied and discussed (i.e., the effects of contact time, solute concentration, pH, ionic strength and temperature). In this study adsorption kinetic was investigated, where it follows a pseudo-second order model in case of ibuprofen and progesterone.

The automotive industry is continuously seeking innovative solutions to improve the energy efficiency and sustainability of vehicles. Among the various energy-consuming systems in automobiles, air conditioning plays a crucial role. However, conventional vapour compression-based air conditioning systems are known for their high energy consumption and environmental impact. In recent years, adsorption technology has gained significant attention as a promising alternative due to its potential for higher energy efficiency and reduced greenhouse gas emissions. This review paper presents a comprehensive analysis of advancements in adsorption air conditioning technology specifically designed for automotive applications. The paper examines the recent research and development efforts in enhancing the performance and practicality of these systems, encompassing areas such as advanced materials selection, and system integration strategies. Furthermore, this review highlights the benefits and challenges associated with implementing adsorption air conditioning systems in vehicles. The environmental impact and potential for waste heat recovery are also discussed. Additionally, emerging trends, such as hybridization with conventional vapour compression systems, are explored to further optimize the energy efficiency and sustainability of automotive air conditioning. By critically evaluating the existing literature and research advancements, this review provides insights into the state-of-the-art thermally driven technologies for automotive applications.

Nowadays, there is extensive production and use of plastic materials for different industrial activities. These plastics, either from their primary production sources or through degradation processes of the plastics themselves, can contaminate the ecosystem with micro and nanoplastics. Once in the aquatic environment, these microplastics can be the basis for the adsorption of chemical pollutants, favoring that these chemical pollutants disperse more quickly in the environment and can affect living beings. Due to the lack of information on adsorption, three machine learning models (random forest, support vector machine, and artificial neural network) to predict different microplastic/water partition coefficients (log Kd) were developed using two different approximations (based on the number of input variables). The best-selected machine learning models present, in general, correlation coefficients upper than 0.92 in the query phase, which indicate that these type of models could be used for a rapid estimation of the absorption of organic contaminants on microplastics.

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.

Spent coffee grounds (SCG) have great potential as a useful, value-added biological material. In this context, activated carbon (AC) was prepared from SCG by an activation process using H3PO4 at 600°C in air and used as an adsorbent for the azo dye AO7, a model molecule for dye colorants found in textile industry effluents. X-ray diffraction, SEM and BET revealed that the AC was predominantly amorphous, consisting of a powder of 20-100 µm particles with mesopores averaging 5.5 nm in pore size. Adsorption kinetics followed a pseudo-second-order law, while the Langmuir model best fitted experimental isotherm data (maximum capacity of 119.5 mg AO7 per AC g). Thermodynamic parameters revealed that adsorption was endothermic and spontaneous. All the characterizations indicated that adsorption occurred by physisorption via mainly - interactions. The best experimental removal efficiency optimized by means of a Box-Behnken design and response surface methodology was 98% for an initial AO7 concentration of 20 mg.L-1 at pH 7.5 with a dose of 0.285 g.L-1 of AC and a contact time of 40 min. These results clearly show that activated carbon prepared from SCG can be a useful material for efficiently removing organic matter from aqueous solutions.

Yellow nanorod Mg-MOF-74 was obtained by solvothermal synthesis method. XRD、N2 adsorption-desorption isotherms、SEM and TGA results suggest that the particle size of Mg-MOF-74 reaches 400 nm after the introduction of sodium acetate in the precursor of Mg-MOF-74. Besides, the morphology of Mg-MOF-74 was changed from cauliflower to rod particles. At the same time, the BET specific surface area and pore volume of Mg-MOF-74 were also increased a lot. Then the CO2 dynamic adsorption capacity of Mg-MOF-74 was measured by self-made fix bed under 30 ℃、0.1 bar CO2 partial pressure. The results show that the CO2 adsorption capacity of Mg-MOF-74-N2 reaches 3.67 mmol/g and its CO2 adsorption capacity remains unchanged after 10 times CO2 adsorption-desorption cycles.

Adopting banana peel as raw material, the adsorption properties of banana peel hydrothermal carbon modified with KOH solution for lead ions in aqueous solution were studied. The surface structure and functional groups of the modified hydrothermal carbon were analyzed by XRD and SEM. The results showed that the banana peel hydrothermal carbon prepared from 0.5 mol/L KOH solution had large pores, and its adsorption capacity reached 42.92 mg/g at a pH value of 6; When the concentration of KOH solution is 0.5 mol/L, the solid liquid ratio is 2 g/L, the adsorption capacity reaches 21.39 mg/g, and the adsorption rate reaches 82.74%; When the concentration of lead solution increased to 100 mg/L, the adsorption capacity of modified hydrothermal carbon for lead ions decreased to 78.26%; The equilibrium adsorption time of lead ion in solution on phosphoric acid modified hydrothermal carbon from banana peel was 250 minutes, and the adsorption process met the quasi second order kinetic model and Freundlich isotherm equation, with an equilibrium adsorption rate of 88.62%. The adsorption of lead ions in solution by KOH modified hydrothermal carbon is mainly chemical physical adsorption.

Alum sludge, an inevitable by-product from the water purification process, which had been applied as substrates in some constructed wetlands with good performance, especially for phosphorus (P) adsorption. The raw alum sludge is like clay lump with irregular shape and has a leaching concern used in the water. For a better reuse, herein, sludge was fired to produce alum sludge ceramsite (ASC) with a uniform spherical shape via four-step process of kneading sludge ball, air drying, preheating at 400°C for 10 min and firing at 600℃ for 5 min. Thereafter the physicochemical properties and P adsorption ability of ceramsite were investigated. Through XRD and FT-IR tests, there was no obvious difference between ASC and air-dried alum sludge ball (adASB) on the phase structure, but a certain amount of Al-OH group loss on the surface of ASC. The structure of ASC was still amorphous as same as adASB, while ASC possessed more micropore structure and bigger specific surface area than those of adASB. Adsorption experiments showed the P adsorption behaviors of ASC and adASB were much similar, and their adsorption kinetics all accorded with the two-step adsorption kinetics rate equation and pseudo-second-order kinetics equation. The maximum adsorption capacities of ASC and adASB fitted by Langmuir model were 1.66 mg/g and 1.89 mg/g respectively. It should be pointed that, compared with other adsorbents, ASC produced in this study still had a higher ability to adsorb P. Therefore, ASC should have a great application potential for P removal in the wastewater treatment in China.

The remarkable adsorption capacity of graphene derived materials has prompted their examination in composite materials suitable for deployment in treatment of contaminated waters. In this study, crosslinked calcium alginate – graphene oxide beads were prepared and activated by exposure to pH 4 by using 0.1M HCl. The activated beads were investigated as novel adsorbents for the removal of organic pollutants (Methylene Blue dye and the pharmaceuticals Famotidine and Diclofenac) with a range of physicochemical properties. Effects of initial pollutant concentration, temperature, pH and adsorbent dose were investigated and kinetic models were examined for fit to the data. Maximum adsorption capacities q_max obtained were 1334, 35.50 and 36.35 mg g^-1 for the uptake of Methylene blue, Famotidine and Diclofenac respectively. The equilibrium adsorption had an alignment with Langmuir isotherms while the kinetics were most accurately modelled using a pseudo- first –order and second order models according to the regression analysis. Thermodynamic parameters such as ΔG^◦, ΔH^◦ and ΔS^◦ were calculated and the adsorption process was determined to be exothermic and spontaneous.

Mineral surfaces have been demonstrated to play a central role in prebiotic reaction, which are supposed to be at the basis of the origin of life. Among the various molecules proposed as precursors for these reactions, one of the most interesting is formamide. Formamide has been shown to be a pluripotent molecule, generating a wide distribution of relevant pre-biotic products. In particular, the outcomes of its reactivity are strongly related to the presence of mineral phases, acting as catalysts toward specific reaction pathways. Even if the mineral-products relationship has been deeply studied for a large pool of materials, the fundamental description of the formamide reactivity over the mineral surface at a microscopic level is missing in the literature. In particular, a key step of formamide chemistry at surfaces is its adsorption on the available interaction sites. This report aims to investigate the adsorption of formamide over a well-defined amorphous silica, chosen as model mineral surface. An experimental IR investigation of formamide adsorption has been carried out and its outcomes have been interpreted on the basis of first principles simulation of the process adopting a realistic model of the amorphous silica.

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.

Reducing CO2 emissions is urgently needed to slow down the impacts of climate change. CO2 capture using an amine solution has been developed and implemented on pilot and commercial scales. However, amine scrubbing, in particular, produces a lot of degraded solvent as waste and is energy intensive. Solid sorbents have been called to overcome those drawbacks. In this work, waste biomass-derived carbon materials were developed and tested for CO2 capture and conversion. Advanced thermal chemical processes i.e. hydrothermal and pyrolysis were applied to produce materials from agri-food waste such as soybean and okara. It was found that the number of functional groups (-C=O and -OH) in activated carbon appears in the synthesized materials, implying the generation of surface oxygenated groups. Preliminary results showed that the synthesized activated carbons are obtained with good yields, and a relatively high surface area, which may be applied as CO2 adsorption materials to solve the CO2 emission problems.

This research is mainly focused on the evaluation of TiO2/Fe2O3 composite and two industrial types of waste (kaolin (Clay-K) and a blast furnace sludge (BFS)) as adsorbent materials of cyanide and as photocatalysts. First, adsorption tests were performed in the absence of light. During photodegradation experiments, the effect of the type of irradiation (ultraviolet (UV) light), visible light and natural sunlight), irradiation time, the type of photocatalyst, as well as irradiance in case of natural sunlight use, were investigated. Adsorption results indicate that Clay-K and TiO2/Fe2O3 materials adsorb approximately twice as much cyanide compared to the BFS sample, which only adsorbs 33.3% (124.87 mg/g); this is due to its smaller specific surface area (5.69 m2/g) compared to that of the other two materials (Clay-K and TiO2/Fe2O3 (14.93 m2/g and 66.59 m2/g, respectively). The results obtained from the study of photodegradation of cyanide under UV irradiation, indicate that Clay-K and BFS samples photodegrade cyanide by 96.44% and 92.66%, respectively. On the other hand, using UV irradiation plus solar irradiation and visible plus solar irradiation, the best photocatalyst was the TiO2/Fe2O3, with 98.66% photodegradation. The use of natural sunlight (irradiance of 600 to 800 W/m2) of a NaCN solution of 750 mg/L, the BFS material was the most efficient to photodegrade cyanide, obtaining 97% in two hours and 87% in just 30 minutes of irradiation.

Hierarchical micro-/mesoporous graphitic carbon spheres (HGCS) with a uniform diameter of ~0.35 μm were synthesized by Fe-catalyzed graphitization of amorphous carbon spheres resultant from hydrothermal carbonization. The HGCS resultant from 3 h at 900 °C with 1.0 wt% Fe catalyst had high graphitization degree and surface area as high as 564 m²/g. They also exhibited high specific capacitance of 140 F/g at 0.2 A/g, good electrochemical stability with 94% capacitance retention after consecutive 2500 cycles. The graphitization degree of the HGCS contributed about 60% of their specific capacitance, and their specific capacitance per unit surface area was as high as 0.2 F/m² which was much higher than in the most cases of porous amorphous carbon materials reported before. In addition, the HGCS showed a high adsorption capacity of 182.8 mg/g for methylene blue (MB), which was 12 times as high as that in the case of carbon spheres before graphitization.

The research aims to resolve water pollution generated by dye wastewater. In this paper, the aminated sodium lignosulfonate (AELS) was prepared through the Mannich reaction, and the synthesis conditions were optimized using orthogonal experiments to determine the best amination conditions. The successful preparation of AELS was demonstrated through the use of FT-IR, XRD, TG, SEM and XPS characterization techniques. Then, the adsorption capacity of Methyl blue (MB) by AELS was compared in a range of different circumstances, like pH, adsorbent dose, initial concentration, time, and temperature. Additionally, the kinetics, isotherms, and thermodynamic properties of the AELS adsorption for MB were studied and discussed. The results indicated that the fitting results were consistent with the pseudo-second-order kinetic model and Langmuir isotherm model, in accordance with the mechanism of single-molecular-layer chemisorption. And the adsorption of MB by AELS was a spontaneous and endothermic process. Upon completion of five adsorption experiments, the adsorption capacity of MB by AELS was determined to be 107.95 mg g-1, which was 5.3% lower than the first experiment. This research promotes the effective use of natural resources and allows for the sustainable use of lignin and the advancement of new applications for it.

Food processing and consumption involves multiple contacts between biological fluids and solid materials of processing devices of which steel is one of the most common. Due to complexity of these interactions, it is difficult to identify the main control factors in the formation of undesirable deposits on the device surfaces that may affect safety and efficiency of the processes. Mechanistic understanding of biomolecule-metal interactions involving food proteins could improve management of these pertinent industrial processes and consumer safety in food industry and beyond. In this work, we perform a multiscale study of formation of protein corona on iron surfaces and nanoparticles in contact with cow milk proteins. By calculating the binding energies of proteins with the substrate we quantify the adsorption strength and rank proteins by the adsorption affinity. We use a multiscale method involving all-atom and coarse-grained simulations as well as generation of 3D structures of the proteins for this purpose. Finally, using the adsorption energy results, we predict the composition of protein corona on iron nanoparticles and flat surfaces via a competitive adsorption model.

Diethyldithiocarbamate (DDTC) has been employed in the sulfide ore flotation process, due to its excellent collection performance. Herein, we investigated the interfacial adsorption behavior of DDTC on four mineral phases of high-sulfur residue — sulfur, pyrite, sphalerite and lead sulfate. The adsorption behavior — adsorption structure and energy and electron localization function cross section — of DDTC and H2O were explored using density function theory calculation. The result was helpful to construct a co-adsorption model of DDTC and H2O, which was validated by the pure minerals flotation operation and the characterization of fourier transform infrared spectra. The co-adsorption model indicated that the DDTC adsorption on the sulfur, sphalerite and lead sulfate was weak with physical bonding, while its adsorption on the pyrite was strong with chemical bonding. Practical bench-scale operation of high-sulfur residue flotation was performed, whose result was different from that obtained from the pure mineral flotation. To explain the difference, our developed model predictions and the mineral fugacity pattern analysis on the high-sulfur residue flotation were synergistically used. Overall, this work first proposed the co-adsorption model of DDTC and H2O and provided important insights into the interfacial adsorption in the high-sulfur residue flotation.

Actuated carbon (AC) is utilized in various conditions of uses after its disclosure as a solid and dependable adsorbent. A review on AC is introduced along with returning to the wellsprings of AC age; strategies used to produce AC including pyrolysis enactment; actual actuation; synthetic initiation and steam pyrolysis. The significant variables influencing the AC creation, the potential uses of AC and their future possibilities are likewise examined. AC is applied in water, wastewater and leachate medicines in numerous nations, particularly to clean the shading, eliminate the smell and some substantial metals. Taking into account this, an exhaustive rundown of research on compound, physical and organic change strategies of initiated carbon relating to prevent of foreign substance expulsion from watery arrangements was aggregated and investigated. Additionally, the examination of the actual blending strategy and the impregnation technique in enactment with antacid metals shows that the actuated carbon got through actual blending had a higher porosity than the initiated carbon created by the impregnation technique. The uses of initiated carbon items were quickly surveyed.

Commercially available oxidized (carboxylic groups) and non-oxidized multiwalled carbon nanotubes were studied as adsorbents of cerium(III) in batch operation mode. Several variables affecting the rare earth adsorption were investigated, including: the stirring speed applied to the system, the pH of the solution and the metal concentration and carbon dosages. Although the removal of cerium from the solution is different and dependent upon the adsorbent type: i) adsorption in non-oxidized multiwalled carbon nanotubes, ii) cation exchange in the case of using oxidized multiwalled carbon nanotubes, the adsorption kinetics, the rate law and the isotherm models are the same for both adsorbents: pseudo-second order, film diffusion and Langmuir Type-1, respectively. Cerium is desorbed from loaded adsorbents using acidic solutions.

The harmful nature of high concentrations of antibiotics to humans and animals requires urgent development of novel materials and techniques for their absorption. In this work, CTAB (Cetyltrimethyl Ammonium Bromide)-assisted synthesis of ZIF-8 (zeolitic imidazolate framework) derived hollow carbon (ZHC) was designed, prepared and used as a high-performance adsorbent, further evaluated by Langmuir and Freundlich isothermal adsorption experiments, dynamic analysis as well as theoretical calculation. The maximum capacities of ZHC on adsorbing tetracycline (TC), norfloxacin (NFO) and levofloxacin (OFO) are 267.3, 125.6 and 227.8 mg g^-1, respectively, which delivers superior adsorptive performance when compared to widely studied inorganic adsorbates. The design concept of ZIFs-derived hollow carbon material provides guidance and insights for the efficient adsorbent of environmental antibiotics.

The adsorption of carbon dioxide on amino silanes-functionalized MCM-41 and SBA-15 materials is reported. The functionalization of mesoporous silicas was made by post-synthesis method, by impregnation of 3-aminopropyltriethoxysilane. The obtained materials were characterized by X-ray diffraction, scanning and transmission electron microscopies, nitrogen adsorption-desorption and X-ray photoelectron spectroscopy measurements. The carbon dioxide adsorption capacities for the samples were carried out under ambient pressures. The obtained results evidenced that amino-silanes with a terminal amine (–NH₂) were functionalized through covalent coupling of this group on the surface of the channels in the ordered mesoporous silica, meaning that the amine is anchored on the surface of the bigger pores of the MCM-41 and SBA-15 support. For functionalized materials, the CO₂ adsorption capacity of the AMCM-41 increased from 0.18 to 1.1 mmol·g⁻¹, whereas for ASBA-15, it was from 0.6 to 1.8 mmol·g⁻¹. The Lagergren kinetic algorithms were applied in order to validate the obtained results, evidencing the enhanced carbon dioxide adsorption capacity and stability of the functionalized ordered mesoporous molecular sieves.

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).

Using banana peel as raw material, the adsorption properties of hydrothermal carbon pre-10 pared from banana peel modified with different concentrations of phosphoric acid solution for lead 11 ions in aqueous solution were studied. The surface structure and functional groups of the modified 12 hydrothermal carbon were analyzed by XRD and SEM. The results show that the surface of the 13 modified banana peel hydrothermal carbon prepared at 240℃ and 2mol/L phosphoric acid solution 14 has large pores. The adsorption capacity is larger when pH value is 6.When the concentration of 15 phosphoric acid solution was 2mol/L, the solid-liquid ratio was 2g/L, the adsorption capacity was 16 40.64mg/g, and the removal rate was 82.74%.When the initial concentration of lead solution in-17 creased to 100mg/L, the adsorption capacity of modified hydrothermal carbon for lead ion increased 18 to 76.81mg/g, and the removal rate decreased to 76.81%.The equilibrium adsorption time of banana 19 peel phosphoric acid modified hydrothermal carbon for lead ions in solution is 300min. The adsorp-20 tion process satisfies the pseudo-second-order kinetic model and Langmuir isotherm equation. The 21 reaction temperature is 313K, and the equilibrium adsorption capacity can reach 101.19mg/g. The 22 adsorption of Pb ions in aqueous solution by phosphoric acid modified hydrothermal carbon is 23 dominated by single layer chemisorption. The artificial neural network has a fitting correlation of 24 0.99, and the adsorption process includes physical adsorption, electrostatic attraction, ion exchange, 25 and surface complexation.

Nanoporous carbons were prepared by chemical and physical activation from mangosteen peel-derived chars. The removal of atrazine was studied due to the bifunctionality of the N-groups. Pseudo-first-order, pseudo-second order and intraparticle pore diffusion kinetic models were analyzed. Adsorption isotherms were also analyzed according to Langmuir and Freundlich models. Results obtained were compared against two commercial activated carbons with comparable surface chemistry and porosimetry. The highest uptake was found for the carbons with higher content of basic surface groups. The role of the oxygen-containing groups on the removal of atrazine was estimated experimentally by the surface density. Results were compared with the adsorption energy of atrazine theoretically estimated on pristine and functionalized graphene with different oxygen-groups using periodic DFT methods. The energy of adsorption follows the same trend observed experimentally, namely the more basic the pH the more favored is the adsorption of atrazine. Micropores play an important role in the uptake of atrazine at low concentration but the presence of mesoporous is also required to inhibit the pore mass diffusion limitations. The present work contributes to the understanding of the interactions between triazine-based pollutants and the surface functional groups on nanoporous carbons in the liquid-solid interface.

Ammonia known as harmful gas that could impact on health and environment. Typically, ammonia gas emitted by fertilizer industry, rubber factory, etc. There are many options for advance industry to control ammonia gas pollution, absorption tower using water scrubber and using activated carbon as adsorption reaction could be an option. But for middle- and lower-class industry, it is common in Indonesia, as seen on many rubber factories, ammonia gas pollution is serious problem to control, actually they have used wet scrubber but eficiency is lower about 47%. This study measure performance for ammonia elimination as gas pollutant using absorption tower and adsorption tower in laboratory scale. Using electrochemical gas sensor, we measure both ammonia concentration for inlet and outlet simultaneously to settle saturation point of these two types of ammonia emission control. In conclusion, Ammonia absorbed in water proportional to saturation time and absorbent volume. Highest absorbed ammonia concentration 1.538 mg/L on 4000 mL absorbent. For Adsorption system, saturation time proportional and correlated to adsorbent weight and Adsorption capacity reverse correlated to adsorbent weight. Optimum adsorption point can be achieved from intersection curve between saturation time and adsorption capacity which is 1200 grams adsorbent

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.

Elevated antimony concentrations in aqueous environments from anthropogenic sources is becoming of global concern, here iron oxides are known to strongly adsorb aqueous antimony species with different oxidation states, but the effect of silica on the removal characteristics is not well understood despite being a common component in the environment. In this study, ferrihydrite was synthesized at various Si/Fe molar ratios to investigate its adsorption and co-precipitation behaviors with aqueous antimony anionic species, Sb(III) and Sb(V). The XRD analyses of the precipitates showed two broad diffraction features at approximately 35° and 62° 2θ, which are characteristic of 2-line ferrihydrite, no significant shifts in peak positions in the ferrihydrite regardless of the Si/Fe ratios. The infrared spectra showed a sharp band at ~990 cm⁻¹, corresponding to asymmetric stretching vibrations of Si-O-Fe bonds which increased in intensity with increasing Si/Fe molar ratios. Further, the surface charge on the precipitates became more negative with increasing Si/Fe molar ratios. The adsorption experiments indicated that Sb(V) was preferentially adsorbed at acidic conditions and decreased dramatically with increasing pH while the adsorption rate of Sb(III) ions was independent of pH, however, the presence of silica suppressed the adsorption of both Sb(III) and Sb(V) ions. The results showed that Sb(III) and Sb(V) ions were significantly inhibited by co-precipitation with ferrihydrite even in the presence of silica by isomorphous substitution in the ferrihydrite crystal structure.

Changes in the atomic and electronic structure of silicon carbide 3C-SiC (β-SiC), resulting from lead adsorption, have been studied within the density functional theory. The tests were conducted for three representative surfaces with varying degrees of lead coverage. Results indicate that chemisorption occurs, with the strongest binding, found on the hexagonal surface (111) in interaction with three dangling bonds. The adsorption energy rises with increasing coverage, especially as the surface approaches saturation. Analysis of the data was focused on parameters important for corrosion processes such as bond distances, binding energies, Bader charges and charge density difference.

The adsorption of supramolecular composites for Cs(I) in high level liquid waste (HLLW) are different due to different carriers. We chose 25,27-bis(ethyl)-calix[4]arene-26,28-crown-6 (EC[4]C6) as adsorbent, SiO2-P, XAD-7 and UiO-66 as carriers. The synthesis and characterization of supramolecular EC[4]C6 loaded with three different carriers were presented. SEM, N2 adsorption/desorption isotherms, TG-DSC spectra, FT-IR spectra results shown that EC[4]C6 was successfully introduced into the pores of carriers via physical intermolecular interactions. EC[4]C6/SiO2-P, EC[4]C6/XAD-7 and EC[4]C6/UiO-66 shown high efficiency, high selectivity towards Cs(I) over 18 typical fission or corrosion products in HNO3 solution. The adsorption properties of the three materials were investigated after electron irradiation. These results demonstrate that EC[4]C6/SiO2-P possess greater potential for highly efficient removal of Cs(I) from HLLW.

β-dicalcium silicate (β-Ca₂SiO₄, or β-C₂S in cement chemistry notation) is one of the most important minerals in cement. An improvement of its hydration rate would be the key point for developing environmentally friendly cements with lower energy consumption and CO₂ emissions. However, there is a lack of fundamental understanding on the water/β-C₂S surface interactions. In this work we aim to evaluate the water adsorption on three β-C₂S surfaces at the atomic scale using density functional theory (DFT) calculations. Our results indicate that thermodynamically favorable water adsorption takes place in several surface sites, with a broad range of adsorption energies (−0.78 to −1.48 eV), depending on the particular mineral surface and adsorption site. To clarify the key factor governing the adsorption, the electronic properties of water at the surface were analyzed. The partial density of states (DOS), charge analysis, and electron density difference analyses suggest a dual interaction of water with β-C₂S (100) surface: a nucleophilic interaction of the water oxygen lone pair with surface calcium atoms, and an electrophilic interaction (hydrogen bond) of one water hydrogen with surface oxygen atoms. Despite the elucidation of the adsorption mechanism, no correlation was found between the electronic structure and the adsorption energies.

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.

Reactions of N‚N'-bis(3-methylpyridyl)oxalamide (L1), N,N’-bis(3-methylpyridyl)adipoamide (L2) and N,N’-bis(3-methylpyridyl)sebacoamide (L3) with tricarboxylic acids and Cu(II) salts afforded {[Cu(L1)(1,3,5-HBTC)]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid), 1, {[Cu1.5(L2)1.5(1,3,5-BTC)(H2O)2]·6.5H2O}n, 2, [Cu(L2)0.5(1,3,5-HBTB)]n (1,3,5-H3BTB = 1,3,5-tri(4-carboxyphenyl)benzene), 3, [Cu4(L3)(OH)2(1,3,5-BTC)2]n, 4, {[Cu3(L3)2(1,3,5-BTB)2]·2.5MeOH·2H2O}n, 5, and {[Cu3(L3)2(1,3,5-BTB)2 ]·DMF·2H2O}n, 6, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1 – 4 form a 2D layer with the {44.62}-sql topology, a 2D layer with the (4.62)2(42.62.82)-bex topology, a 3-fold interpenetrated 3D net with the (412.63)-pcu topology and a 3D framework with the (410.632.83)(42.6)2(43.63) topology, respectively, whereas 5 and 6 are 3D frameworks with the (63)2(64.82)(68.85.102) topology. Complex 5 shows a better iodine-adsorption factor of 290.0 mg g-1 at 60 oC for 360 minutes than the other ones, revealing that the flexibility of the spacer ligand governs the structural diversity and the adsorption capacity.

Volatile organic compounds (VOCs) are molecules present in our everyday life, and they can be positive, such as in the formation of odour and food flavour, or harmful for environment and humans, and the research is focusing on limiting their emissions. Various methods have been used to achieve this purpose. Firstly, we review three main degradation methods: activated carbon, photocatalysis and a synergetic system. We provide a general overview of the operative conditions and report the possibility of VOC abatement during cooking. Within the literature, none of these systems has ever been tested in presence of complex matrices, such as during a cooking process. The aim of this study is to compare the three methods in order to understand the behaviour of filter systems in the case of realistically complex gas mixtures. Proton Transfer Reaction - mass spectrometry (PTR-MS) has been used as real-time monitoring of volatilome. Since VOC emissions are highly dependent on the composition of the food cooked, we evaluated the degradation capacity of the three systems for different burger types (meat, greens and fish). We demonstrate pros and cons of the photocatalysis and adsorption and how a combined approach can mitigate the drawbacks of photocatalysis.

Water pollution is regarded as a dangerous problem that needs to be resolved right away. This is largely due to the positive correlation between the increase in global population and waste production, especially food waste. Hydrogel beads based on sodium alginate (Alg) and pomegranate fruit peels (PP) were developed for the adsorption of Safranin O dye (SO) in aqueous solutions. The obtained Alg-PP beads were widely characterized. The effects of the contact time (0-180 min) and initial concentration (10-300 mg/l), the initial pH (2-10), the adsorbent dosage (1-40 g/l) and the temperature (293-333 K) were investigated through batch tests. The data proved that the adsorption kinetics of SO reached equilibrium within 30 min and up to 180 min. The adsorption data of SO onto synthesized beads follow the pseudo second-order model. The experimental data fitted very well to both Freundlich and Langmuir models. The maximum adsorption capacity of Alg-PP could reach 8.99 mg/g at 293 K. Calculation of Gibbs free energy and enthalpy indicated that adsorption of SO onto Alg-PP is spontaneous and endothermic. Finally, analysis of diffusion and mass transport phenomena were presented. The reported results revealed that the Alg-PP beads could be used as a novel natural adsorbent for the removal of cationic dye pollutants from aqueous environments.