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 investigation magnetic γ-Al2O3 ceramic nanocomposite particles bearing epoxide functionality are prepared following a multistep process. The ultimate nanocomposite particles are named as γ-Al2O3/Fe3O4/SiO2/poly(glycidyl methacrylate (PGMA). The surface property is evaluated by carrying out the adsorption study of Remazol navy (RN), a model reactive azo dye, on both γ-Al2O3/Fe3O4/SiO2 and γ-Al2O3/Fe3O4/SiO2/PGMA nanocomposite particles. The adsorption is carried out at the point of zero charge (PZC) to neutralize the effect of particle surface charge. The adsorption rate is very fast, reached equilibrium (qe) value within five min. Due to mesoporous structure of silica layer γ-Al2O3/Fe3O4/SiO2 nanocomposite particles possessed relatively higher specific surface area and magnitude of adsorption is dependent on the total specific surface area. The introduction of epoxide functionality favored high adsorption capacity in mass per unit surface area. The adsorption process strictly followed Langmuir model. Thermodynamic equilibrium parameters implied that irrespective of surface functionality the adsorption process is spontaneous and exothermic. Pseudo-second-order rate kinetic model is more appropriate to explain the adsorption kinetics.

A novel starch stabilized Mg/Al LDHs material (S-LDH) was prepared in a facile approach and its fluoride ion removal performance was developed. Characterization of S-LDH was employed by using XRD, FTIR and particle size distribution. The adsorption property was studied through the assessment of adsorption isotherms, kinetic models, thermal dynamics and pH influence. The result shows that a low loading of starch of 10 mg onto LDH could obviously improve fluoride removal rate. The S-LDH had 3 times higher adsorption capacity to fluoride than that of Mg/Al LDH to fluoride. The particle size was smaller and the particle size distribution was narrower for S-LDH than that for Mg/Al LDH. Langmuir adsorption isotherm model and pseudo-second-order kinetic model fitted well with the experimental data. In thermodynamic parameters, the enthalpy (△H0) value was 35.63 kJ mol-1 and the entropy (△S0) value was 0.0806 kJ mol-1K-1. The values of △G0 were negative, implying the adsorption process is spontaneous. S-LDH reveals stable adsorption property in a wide pH range from 3 to 9. The mechanism for fluoride adsorption on S-LDH included surface adsorption and interaction ion exchange.

The significant environmental issue of water pollution caused by emerging contaminants un-derscores the imperative for developing novel cleanup methods that are efficient, economically viable, and that are intended to operate at high capacity and under continuous flows at the in-dustrial scale. This study shows the results of the operational design to build a prototype for the retention at lab scale of pollutants residues in water by using as adsorbent material, insoluble polymers prepared by β-cyclodextrin and epichlorohydrin as a cross-linking agent. Laboratory in batch tests were run to find out the adsorbent performances against furosemide and hydro-chlorothiazide as pollutants model. The initial evaluation concerning the dosage of adsorbent, pH levels, agitation, and the concentration of pharmaceutical pollutants enabled us to identify the optimal conditions for conducting the subsequent experiments. The adsorption kinetic and the mechanisms involved were evaluated revealing that that the experimental data perfectly fit the pseudo second order model being the adsorption process mainly governed by chemisorption. According to the KF constants values of 0.044 (L/g) and 0.029 (L/g) for furosemide and hydro-chlorothiazide, respectively and determination coefficient (R2) higher than 0.9 for both com-pounds, Freundlich yielded the most favorable outcomes, suggesting that the adsorption process occurs on heterogeneous surfaces involving both chemisorption and physisorption processes. The maximum monolayer adsorption capacity (qmax) obtained by Langmuir isotherm reveal a saturation of the β-CDs-EPI polymer surface 1.45 times higher for furosemide (qmax = 1.282 mg/g) than hydrochlorothiazide (qmax = 0.844 mg/g). Based on these results, the sizing design and building of a lab scale model were conducted, which in turn will be used later to evaluate its performances working in continuous flow in a real scenario.

The Langmuir isotherm is a widely used model for analyzing adsorption equilibrium data. This study evaluated the efficiency and accuracy of all four linear forms of the Langmuir isotherm and its non-linear form using 67 experimental data sets selected from the literature. The results showed that only if all four linear forms simultaneously show high accuracy, then the non-linear form also shows high accuracy, and therefore it can be said that the process probably follows the Langmuir isotherm. On the contrary, when at least one of the four linear forms of the Langmuir isotherm has low accuracy, it means that the non-linear form also has low accuracy, and it can be concluded that this process does not follow the Langmuir isotherm. This research suggests that all four linear forms of the Langmuir isotherm should be evaluated simultaneously to conclude whether the studied system follows the Langmuir isotherm or not. In other words, relying on only one of the four linear forms of the Langmuir isotherm to model adsorption and calculate the Langmuir constant and maximum adsorption capacity is an incomplete approach, contrary to the conventional approach.

Polyethyleneimine (PEI) has been reported to have good potential for the adsorption of metal ions. In this work, PEI was covalently bound to NiFe2O4@SiO2 nanoparticles to form the new adsorbent NiFe2O4@SiO2–PEI. The material allowed magnetic separation and was characterized via powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), Fourier-transform IR spectroscopy (FT-IR), and thermogravimetry-differential thermal analysis (TGA-DTA). The adsorption of CrO42‒, Ni2+, and Pb2+ ions from aqueous solutions was studied at different pH, temperatures, metal ion concentration, and adsorbent dosage. Maximum adsorption capacities of 149.23, 156.68, and 161.25 mg/g were obtained for CrO42‒, Ni2+, and Pb2+, respectively under optimum conditions using 0.075 g of the adsorbent material 250 mg/L ion concentration, at pH = 6.5 and room temperature.

The dynamic interaction between carbon nanodots (CNDs) and cannabidiol (CBD) has captured significant attention as an innovative avenue for redefining drug delivery and amplifying therapeutic effectiveness. This in-depth review delves into the intricate synergy between these two elements, unveiling their profound potential in medicine. Commencing with an examination of the unique characteristics of CNDs and the techniques governing their synthesis, we discuss their versatility as drug carriers, highlighting their invaluable role in advancing CBD delivery. Cannabidiol, a non-psychoactive compound sourced from cannabis, has emerged as a focal point for its diverse therapeutic attributes. Nevertheless, the limitations posed by its restricted bioavailability and susceptibility to degradation pose substantial hindrances to realizing its full potential. Here, we elucidate how the amalgamation of CBD with CNDs transcends these challenges. We delve into the mechanisms that underlie this synergy, such as the augmentation of solubility and the safeguarding of CBD against premature breakdown, providing an intricate analysis. We will also journey you through a comprehensive exploration of diverse CBD loading techniques onto CNDs, dissecting the realms of physical encapsulation, covalent bonding, and adsorption processes. In summation, the combination of CNDs and CBD presents an extraordinary opportunity to elevate therapeutic outcomes. This synergetic paradigm masterfully tackles pivotal challenges in drug delivery, thereby paving the path for pioneering medical solutions.

In this research, a novel collector cetyl trimethyl ammonium chloride (CTAC) was used to separate hematite from quartz via reverse flotation for the first time. Micro-flotation tests showed that CTAC had a strong ability to selectively collect quartz and a separation of hematite from quartz could be accomplished with a concentration of 0.00263 mmol/L CTAC. Zeta-potential measurements indicated that the positive CTAC+ species could selectively increase the surface potential of quartz, but it had rather a weak effect on the hematite surface. X-ray photoelectron spectroscopy (XPS) detection indicated that CTAC had a stronger binding affinity to oxygen sites on the surface of quartz than that of hematite, resulting in a large amount of CTAC predominantly adsorbed on quartz rather than hematite.

Mercury (Hg (II)) contamination is indefatigable global hazard which causes severe permanent damages to human health. Extensive research has been carried out to produce mercury adsorbents however they are still facing certain challenges limiting their upscaling. Herein we reported the synthesis of novel amine impregnated inverse vulcanized copolymer for effective mercury removal. Poly(S-MA) was prepared using sulfur and methacrylic acid employing inverse vulcanization method following by functionalization. The polyethylenime (PEI) was impregnated on poly(S-MA) to increase the adsorption active sites. The developed adsorbent was then characterized using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). FTIR confirmed formation of copolymer and successful impregnation of PEI and SEM revealed composite porous morphology of the copolymer. Amine impregnated copolymer (amine@poly(S-MA)) outperformed poly(S-MA) in mercury as it showed 20 % superior performance with 44.7 mg/g maximum adsorption capacity. The adsorption data best fits the pseudo second order which indicates that the chemisorption is most influential mechanism in this case indicating the involvement of NH2 in mercury removal. The adsorption is mainly monolayer on homogenous surface as indicated by 0.76 value of Redlich-Peterson exponent (g) which describes the adsorption nature advent from R2 value of 0.99.

Although there is a common physiological notion that the origin of the membrane potential is attributed to transmembrane ion transport, it is theoretically possible to explain its generation by the mechanism of ion adsorption. It was previously suggested that the ion adsorption mechanism led even to the potential formulas which are even identical to either the famous Nernst equation or Goldman-Hodgkin-Katz equation. Our further analysis shown in this paper indicates that the potential formula based on the ion adsorption mechanism leads to one equation which is the function of material surface charge density and the material surface potential. Furthermore, we confirmed that the equation holds in all the different experimental systems we studied. Although we have not succeeded in elucidating why such an equation is established, the equation appears to be the key equation governing the characteristics of the membrane potential regardless of the systems in question.

Current physiology attributes the mechanism of membrane potential generation to transmembrane ion transport, but ion adsorption could just as well play this fundamental role. The evidence shows that the ion adsorption mechanism accurately reproduces the experimentally measured membrane potential. The Goldman-Hodgkin-Katz equation (GHK eq.) and the Nernst equation (Nernst eq.) are the typical mathematical formulas representing the membrane potential in current physiology. However, the authors were able to show that the potential formulas by ion adsorption mechanism give identical results to GHK eq. and Nernst. eq. Our experimental and theoretical analyses suggest that there is a special relationship between the membrane potential and the membrane surface charge density, and this unique equation inevitably leads to the establishment of a GHK eq and/or a Nernst eq. The authors found that the unique equation is the foundation of thermodynamics “Boltzmann distribution”. Thus, the GHK eq. and the Nernst eq. are simply the natural consequence of thermodynamics from the view of the ion adsorption mechanism.

Hematite (-Fe2O3) with uniform hexagonal flakes morphology has been successfully synthesized using a combination of gelatin as natural template with F127 via hydrothermal method. The resulting hematite was investigated as adsorbent and photocatalyst for removal of ibuprofen as pharmaceutical waste. Hexagonal flake-like hematite was obtained following calcination at 500 oC with the average size was measured at 1-3 µm. Increasing the calcination temperature to 700 oC transformed the uniform hexagonal structure into cubic shape morphology. Hematite also showed high thermal stability with increasing the calcination temperatures, however, the surface area was reduced from 47 m2/g to 9 m2/g. FTIR analysis further confirmed the formation Fe-O-Fe bonds, and the main constituent elements of Fe and O were observed in EDX analysis for all samples. Fe2O3-G samples have an average adsorption capacity of 55-25.5 mg/g at 12-22% of removal efficiency when used as adsorbent for ibuprofen. The adsorption capacity was reduced with increasing the calcination temperatures due to the reduction of available surface area of the hexagonal flakes when transformed into cube. Photocatalytic degradation of ibuprofen using hematite flakes achieved 50% of removal efficiency meanwhile combination of adsorption and photocatalytic degradation further removed 80% of ibuprofen in water/hexane mixtures.

Melatonin is a hormone used for treating several disorders. However, its oral administration is problematic due to the variable absorption and extensive first-pass metabolism. The topical application of this drug does not present these disadvantages and can be used for therapeutic and skin protection purposes. The adsorption and release of melatonin in the montmorillonite clay was investigated experimentally and theoretically. The drug-clay interaction products were prepared and characterized, showing a modified and improved diffusion and release of melatonin. The crystal structure and spectroscopic properties of melatonin and melatonin-water-mineral materials were studied by molecular modeling, finding that the adsorption of this drug is energetically favourable, and the results were consistent with the experimental data. Ab initio molecular dynamics simulations with the metadynamics methodology showed the release of melatonin from the confined interlayer nanospace of montmorillonite to the liquid bulk water with a 20 kcal/mol free energy barrier.

The effects of mixing orders of tannic acid (TA), starch and α-amylase on the enzyme inhibition of TA were studied, including mixing TA with α-amylase before starch addition (order 1), mixing TA with pre-gelatinized starch before α-amylase addition (order 2) and co-gelatinizing TA with starch before α-amylase addition (order 3). It was found that the enzyme inhibition was always highest for order 1 because TA could bind with the enzyme active site thoroughly before digestion occurred. Both order 2 and 3 reduced α-amylase inhibition through decreasing binding of TA with the enzyme, which resulted from the non-covalent physical adsorption of TA with gelatinized starch. Interestingly, at low TA concentration, α-amylase inhibition for order 2 was higher than order 3, while at high TA concentration, the inhibition was shown with opposite trend, which arose from the difference in the adsorption property between the pre-gelatinized and co-gelatinized starch at the corresponding TA concentrations. Besides, both the crystalline structures and apparent morphology of starch were not significantly altered by TA addition for order 2 and 3. Conclusively, although a polyphenol may have an acceptable inhibitory activity in vitro, the actual effect may not reach the expected one when taking processing procedures into account.

Carbon sequestration via carbon capture and storage (CCS) method is one of the most useful methods to lower the CO₂ emission in the atmosphere. Ethylenediamine (EDA) and triethylenetetramine (TETA) modified mesoporous carbon (MC) has been successfully prepared as CO₂ storage materials. The effect of various concentrations of EDA or TETA added to MC as well as activated carbon (AC) on their CO₂ adsorption capacity were investigated using high purity CO₂ as feed and titration method to quantitatively measure the amount of adsorbed CO₂. The results showed that within 60 min adsorption time, MCEDA49 gave the highest CO₂ capacity adsorption (19.68 mmol/g), followed by MC-TETA30 (11.241 mol/g). The improvement of CO₂ adsorption capacity at low TETA loadings proved that the four amine functional groups in TETA gave advantages to CO₂ adsorption. TETA functionalized MC has a potential to be used as CO₂ storage materials as it is used at low concentration. Therefore, it is more benign and friendly to the environment.

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.

To realize high response and selectivity gas sensor in detecting dissolved gases in transformer oil, in this study, the adsorption of four kinds of gases (H2, CO, C2H2 and CH4) on Pd-graphyne as well as the gas sensing properties evaluation were investigated. The energetically favorable structure of Pd doped γ-Graphyne was first studied, including the comparison of different adsorption sites and discussion of electronic properties. Then, the adsorption of these four molecules on Pd-graphyne was explored. The adsorption structure, adsorption energy, electron transfer and electron distribution, the band structure and density of states were calculated and analyzed. The results show that the Pd atom prefers to be adsorbed on the middle of three C≡C bonds and the band gap is smaller. The CO adsorption exhibits the largest adsorption energy and electron transfer and brings obvious change to the structure and electron properties to Pd-graphyne. Because of the conductance decrease after adsorption CO and acceptable recovery time at high temperature, the Pd-graphyne can be promising gas sensing materials to detect CO with high selectivity. This work offers theoretical support for the design of nanomaterials based gas sensor using novel structure for industrial application.

Selection of efficient corrosion inhibitors requires detailed knowledge regarding interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. Position of functional groups between different isomers is often overlooked but not less important since factors like steric hinderance may significantly affect the adsorption mechanism. In this study we have presented how different dihydroxybenzene isomers interact with aluminium alloy 5754 surface, reducing its corrosion rate in bicarbonate buffer (pH = 11). We have shown the highest inhibition efficiency among tested compounds belongs to catechol at 10 mM concentration, although differences were moderate. Utilization of novel impedance approach to adsorption isotherm determination allowed to confirm that while resorcinol chemisorbs on aluminium surface, catechol and quinol follows ligand exchange model of adsorption. Unlike catechol and quinol, the protection mechanism of resorcinol is bound to interaction with insoluble aluminium corrosion products layer and was only found efficient at concentration of 100 mM (98.7%). The aforementioned studies were confirmed with scanning electron microscopy and x-ray photoelectron spectroscopy analyses. There is a significant increase of the corrosion resistance offered by catechol at 10 mM after 24 h exposure in electrolyte: from 63 to 98%, with only negligible changes in inhibitor efficiency observed for resorcinol at the same time. However, in the case of resorcinol a change in electrolyte color was observed. We have revealed that the differentiating factor is the keto-enol tautomerism. The NMR studies of resorcinol indicate the keto form in structure in presence of NaOH, while the chemical structure of catechol does not change significantly in alkaline environment.

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.

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.

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.

In an attempt to reuse fibrous textile waste and, at the same time, to address dye pollution in textile wastewater, waste cotton-based yarn was utilized as both a cheap and sustainable adsorbent and a precursor for carbon adsorbent production. Cotton and cotton/polyester yarn samples underwent thermal modification through carbonization followed by chemical activation with KOH. Various techniques including nitrogen adsorption-desorption isotherms, scanning electron microscopy, Fourier transform infrared spectroscopy, and surface charge determination were employed to analyze the morphological and surface properties of the cotton-based adsorbents. Adsorption properties were evaluated by testing the removal of selected cationic and anionic dyes from water. The impact of temperature, contact time, initial concentration, and pH of the adsorbate solution on adsorption was investigated, with experimental data analyzed using theoretical models. While carbonization alone did not significantly enhance adsorption properties, activated samples exhibited high efficacy in removing both cationic and anionic dyes from water. Despite the negative influence of the polyester component in the carbon precursor on the efficiency of activated samples in removing methyl orange, results indicated that activated cotton and cotton/polyester yarn could be used to prepare highly efficient adsorbents for the rapid removal of methylene blue from real wastewater samples.

The high demand for lithium (Li) relates to clean renewable storage devices and the advent of electric vehicles (EVs). The extraction of Li ions from aqueous media calls for efficient adsorbent materials with various characteristics, such as good adsorption capacity, good selectivity, easy isolation of the Li-loaded adsorbent, and good recovery of the adsorbed Li ions. The widespread use of metal-based adsorbent materials for Li ions extraction relates to various factors: (i) the ease of preparation via inexpensive and facile templation techniques, (ii) excellent selectivity for Li ions in a matrix, (iii) high recovery of the adsorbed ions, and (iv) good cycling performance of the adsorbents. However, the use of nano-sized metal-based LISs is limited due to challenges associated with isolating the loaded adsorbent material from the aqueous media. Adsorbent granulation process employing various binding agents (e.g., biopolymers, synthetic polymers, and inorganic materials) affords functional particles with modified morphological and surface properties that support easy isolation from the aqueous phase upon adsorption of Li ions. Biomaterials (e.g., chitosan, cellulose, alginate, and agar) are of particular interest because their structural diversity renders them amenable to coordination interactions with metal-based LISs to form 3D microcapsules. The current review highlights recent progress in the use of biopolymer binding agents for the granulation of metal-based LISs, along with various crosslinking strategies employed to improve the mechanical stability of the granules. The study reviews the effects of granulation and crosslinking on adsorption capacity, selectivity, isolation, recovery, cycling performance and the stability of the LISs. Adsorbent granulation using biopolymer binders has been reported to modify the uptake properties of the bio-adsorbent materials to varying degrees, in accordance with the surface and textural properties of the binding agent. The review further highlights the importance of granulation and crosslinking for improving the extraction process of Li ions from aqueous media. This review contributes to manifold areas related to industrial application of LISs, as follows: 1) to highlight recent progress in the granulation and crosslinking of metal-based adsorbents for Li ions recovery, 2) to highlight the advantages, challenges, and knowledge gaps of using biopolymer-based binders for granulation of LISs, and finally, 3) to catalyze further research interest into the use of biopolymer binders and various crosslinking strategies to engineer functional adsorbent materials for application in Li extraction industry. Properly engineered extractants for Li ions are expected to offer various cost benefits in terms of capital expenditure, percent Li recovery, and reduced environmental footprint.

The physiological mechanism of membrane potential generation relies on the passage of mobile ions across the plasma membrane, which is selectively permeable to mobile ions. The existence of a membrane and the transport of ions across it are essential for the generation of membrane potential. However, a long-forgotten theory, Association-Induction hypothesis, asserts that the heterogeneous distribution of charges in space, due to ion adsorption, is the true cause of membrane potential generation. Using an artificial living cell model consisting of a viscous aqueous solution, the mechanism of membrane potential generation is restudied in this work. The results indicate that membrane potential can be generated even in the absence of a plasma membrane and that ion adsorption leading to a heterogeneous spatial charge distribution is an essential factor for membrane potential generation. Consequently, the authors invites people to reconsider the Association-Induction hypothesis as a genuine mechanism for generating membrane potential.

Presence of lipopolysaccharides (LPSs) in the outer layer of outer membranes (OMs) is an almost universal molecular signature of Gram-negative bacteria. The O-antigen or O-polysaccharide (OPS) chains attach to millions of LPS molecule to form a continuous layer on the surface of most of Escherichia coli strains. OPS structure is one of the most variable features of bacteria, with about 200 E. coli O-serotypes currently described. In this review a analyze accumulating evidence suggesting that a vast majority of these OPS types provide robust shields that restrict the access of large molecules to the OM surface. Sophisticated mechanisms employed by bacteriophages to penetrate the OPS barrier are also considered. These are initiated with specific recognition of OPS molecules by phage receptor-binding proteins (RBP), or of other cell-surface molecules that are exposed above the OPS layer. Only after can virions gain access to secondary receptors found closer to the OM surface. The mechanisms of breaking through OPS in most if not all cases appear to rely on mechanical force generated by molecular motors of processive depolymerization or deacetylation of cell surface polysaccharides by enzymatically active RBPs, or by internal rearrangement of the virion.

Cytokine adsorption can resolve different complications characteristic of transplantation medicine, such cytokine storm activation, blood immuno- and AB0- incompatibilities but can also be performed for the treatment of various life-threatening conditions, such as sepsis, acute respiratory distress syndrome (ARDS), and cardiogenic shock, all of which can contribute to adverse clinical outcomes during transplantation. After surgery, dysmetabolism and stress response limit successful graft survival and can lead to primary (PGD) or secondary graft dysfunction. In this clinical context, and given that a major problem in transplant medicine is that the demand for organs far exceeds the supply, a technological innovation such as a hemoadsoption system could greatly contribute to increasing the number of usable organ donors. The objectives of this review are to describe the specific advantages and disadvantages of the application of cytokine adsorption in the context of transplantation and also to examine, before and/or after organ transplantation, the benefits of addition of a complementary cytokine adsorption therapy protocol.

The Shitouping pluton in Jiangxi Province, southern China, hosts an ion-adsorption heave rare earth element (HREE) deposit identified by recently geological survey. This study reveals the HREE pre-enrichment mechanism during the magma-hydrothermal process of granitic bedrock based on the comprehensive study of zircon structure and composition. Zircon from the Shitouping pluton, composed of syenogranite and monzogranite, can be categorized into three types based on structure and compositions. The Type-1 zircons, the predominate type in monzogranite granite, are early magmatic zircons with prismatic crystals and bright oscillatory zoning. In contrast, the late magmatic-hydrothermal zircons (Type-2 and Type-3) are mainly occurred in the syenogranite. The Type-2 zircons occur as murky euhedral crystals crystallized in the late magmatic stage. The Type-3 zircons with irregular zoning and abundant mineral inclu-sions in BSE images are closely associated with Type-2 zircons, possibly formed via intense hy-drothermal alteration during the hydrothermal stage. The increase in Y/Ho ratios from Type-1 to Type-3 zircon indicates that the Shitouping syenogranites underwent magmatic to hydrothermal evolution. Compared with Type-1 and Type-2 zircons, Type-3 zircons exhibit the highest con-centrations of F and HREEs. The significant increase of HREE concentrations both in zircons and bulk-rock composition of syenogranite can be attributed to the introduction of HREE-rich fluids during magma evolution. Under this condition, the HREEs mainly hosted in fluorocarbonates, which can easily release HREE3+ to generate ion-adsorption deposits during the weathering process. Therefore, we propose that increase of HREE contents in zircon reflect the exsolution of HREE-rich fluids during the magma evolution, which is important factor controlling HREE en-richment in Shitouping syenogranites and further generation of ion-adsorption HREE deposits.

Bisphenol A is a remarkable chemical compound for its many applications mainly in the plastics industry, but also for its toxic effects on the environment and human health. BPA (4,4-isopropylidenediphenol) is an anthropogenic compound, moderately soluble in water (120 – 300 mg/l) at room temperature, and highly soluble in alkaline solutions, ethanol and acetone. BPA can bioconcentrate, bioaccumulate and biomagnify through food webs until it reaches humans. To prevent this, effective strategies are sought to allow its removal from the environment, through physico-chemical or enzymatic methods, advanced oxidation, adsorption and biodegradation, ultrasonic degradation. This article shows a comparative study regarding adsorption of BPA on Active carbon and zeolitic tuff, ZTC. In this paper, the characterization of the zeolitic tuff Rupea adsorbent, was carried out from an elemental and mineralogical point of view, pore size and elemental distribution, using SEM, EDAX, and XRD analysis. The pore size varies from 30 nm to 10 µm, atomic ratio Si/Al≥4, and the 80 % of mineralogical composition represent Ca Clinoptilolite zeolites Ca Clinoptilolite zeolite ((Na1.32K1.28Ca1.72Mg0.52)(Al6.77Si29.23O72)(H2O)26.84). Also, a comparative study of the adsorbtion capacity of bisphenol A from synthetic solutions on activated carbon type - Norit GAC 830 W, GAC, as well as on Clinoptilolite-type zeolitic tuff, ZTC, Rupea, was carried out. The experiments were carried out at a temperature of 20 ºC, a pH of 4.11; 6.98 and 8.12, and ionic strength being assured using KCl of 0.01 M, and 0.1 M. The adsorption capacities of GAC and ZTC tend to 115 mg/g and 50 mg/g respectively, at 8.12 pH and ionic strength of 0 M. The Langmuir mathematical model most faithfully describes the adsorption equilibrium of BPA. The maximum adsorption capacity for both adsorbents increases with increasing pH, and decreases with increasing ionic strength.

In the present study, the ability of novel carbon microspheres (CMs) derived from a date palm (Phoenix dactylifera) biomass using a hydrothermal carbonization (HTC) process and activated using phosphoric acid in removing methylene blue dye was investigated. Three types of palm-based wastes (seeds, leaflet and inedible crystallized date palm molasses) were used and converted to CMs via HTC process. The prepared samples were then activated using phosphoric acid via incipient wetness impregnation method. The CMs samples before and after activation were analyzed using scanning electron microscopy (SEM), elemental analysis and scanning (CHNS), Fourier Transform-Infrared (FTIR) and Brunauer–Emmet–Teller (BET) method. The samples exhibited high BET surface areas after activation (1,584 m2/g). The methylene blue adsorption results showed good fittings to the Langmuir and Redlich-Peterson isotherm models for all activated samples. The maximum adsorption capacity achieved was 409.84 mg/g for activated CM obtained from the palm date molasses, indicating high potential for application as dye-based adsorption materials.

Osteoconductive granulated biopolymers (OGB) are used to restore the lost volume of the jaw bone. OGB is employed as a loose fraction and exhibits physical traits common to bulk mixtures. By removing air bubbles and industrial dust from the OGB fraction through special processing, more accessible spaces are left over for the adsorption of bone growth factors. The recipient site's biological environment alters the OGB fraction's physical characteristics. This is the cause of the OGB fraction's volume changing uncontrollably during the first three weeks following surgery. Predictive indicators for describing the physical processes of osteoconduction include the compaction coefficient and adsorption capacity. Taking into account the prognostic indicators of the dynamics of changes in the physical properties of the OGB fraction in the postoperative period, 3D planning of the bioengineered structure should be done. The OGB fraction's adsorption and drainage properties are optimized by raising the purity of OGB production and preparing the biopolymer for clinical studies.

The adsorption of proteins on polymer is widely used in biosensors. Here, molecular dynamics (MD) simulation was used to study the immobilization of angiotensin converting enzyme II (ACE2) with six initial orientations proposed on polystyrene (PS) at the ambient conditions of pH (4.5, 6, 7, 8, 9.5) and NaCl (0.01, 0.05, 0.1, 0.15, 0.2, 0.25 M). ACE2 immobilization under favorable ambient conditions was characterized by minimum distance (short), settlement time (fast), interaction energy (substantial) and protein configuration (stable). ACE2 orientations proposed in 0.15M NaCl were respectively preferable to (90, 0, 0), (0, 0, 0) and (0, 270, 0), (180, 0, 0) and (0, 90, 0), (90, 0, 0) at pH 4.5, 6, 7, 9.5. ACE2 immobilization was further evaluated at pH 7 by optimizing NaCl concentration. Its proposed orientations of (i) (0, 270, 0), (ii) (0, 0, 0) and (90, 0, 0), and (iii) (0, 90, 0) and (90, 0, 0) were preferable in 0.05, 0.1 and 0.2 M NaCl, respectively. The great significance of cubic-orientation settlement mode provides tangible improvement for the microfabrication of biochips for rapid diagnosis of severe acute respiratory syndrome coronavirus II (SARS-CoV-2).

Mechanochemical production of copper (II) isonicotinate Metal-Organic Framework ([Cu (INA)2]-MOF) and its modified magnetic iron composite ([Cu (INA)2]-MOF@Fe3O4]) allowed for the adsorptive removal of Terbutaline from water. A variety of characterization techniques, including Fourier, transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscopy (SEM), were used to elucidate the distinct chemical and morphological features of the two advanced materials. The optimal adsorption conditions were determined by investigating a wide range of adsorption-related variables, including contact time, initial Terbutaline concentration, adsorbent dosages pH, and temperature. The chemistry involved in the adsorption process between the adsorbents and the adsorbate molecules was evaluated using the best-fitting models, such as kinetics, isotherms, and thermodynamics, and the regeneration study was performed to evaluate the adsorbents' reusability. Incredibly maximum adsorption capacities (Qmax) of 1667 and 2500 mg L-1 were attained within 40 minutes under alkaline pH 11 by the [Cu (INA)2]-MOF and the [Cu (INA)2]-MOF@Fe3O4, respectively. The adsorbents have been proven to be good for the adsorption of Terbutaline as a priority pollutant in an aqueous solution, with pseudo-first order and Langmuir as the best-fitting models for the kinetic and isotherm models respectively.

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 (<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.

L-asparaginase (ASNase) is an aminohydrolase currently used in the pharmaceutical and food industries. Enzyme immobilization is an exciting option for both applications, allowing a more straightforward recovery and increased stability. High surface area and customizable porosity make carbon xerogels (CXs) promising materials for ASNase immobilization. This work describes the influence of contact time, pH, and ASNase concentration on the immobilization yield (IY) and relative recovered activity (RRA) using Central Composite Design methodology. The most promising results were obtained using CX with an average pore size of 4 nm (CX-4), reaching IY and RRA of 100%. At the optimal conditions, the ASNase-CXs biocomposite was characterized and evaluated in terms of kinetic properties and operational, thermal and pH stabilities. The immobilized ASNase onto CX-4 retained 71% of its original activity after six continuous reaction cycles, showed a good thermal stability at 37 °C (RRA of 91% after 90 min) and was able to adapt to both acidic and alkaline environments. Finally, the results indicated a 3.9-fold increase in the immobilized ASNase affinity for the substrate, confirming the potential of CXs as a support for ASNase and as a cost-effective tool for subsequent use in the therapeutic and food sectors.

Accurate prediction of the membrane potential by membrane theory is possible on the basis that the plasma membrane is selectively permeable to ions and that permeability determines the characteristics of the membrane potential. However, an experimental and artificial cell system with an impermeable membrane serving as a model plasma membrane has a non-zero membrane potential, and this potential generated across the membrane is somehow consistent with the potential characteristics predicted by the membrane theory, despite the impermeability of the membrane to ions. A long-forgotten theory, called the association-induction hypothesis (AIH), has emerged as a more plausible mechanism for generating the membrane potential than the membrane theory to explain this unexpected behavior. The AIH asserts that ion-selective membrane permeability is not necessary for the generation of the membrane potential, which is contrary to the membrane theory. Although such an idea is not easy to accept, the experimental results clearly suggest the correctness of the AIH.

The ubiquity of amino acids in carbonaceous meteorites has suggested that amino acids are widespread in the Universe, serving as a common class of components for the emergence of life. However, parameters for modeling amino acid polymerization at mineral–water interfaces remain limited, although the interfacial conditions inevitably exist on planets with surface liquid water. Here, we present a set of extended triple-layer model parameters for aspartate (Asp) and aspartyl-aspartate (AspAsp) adsorptions on ferrihydrite, anatase, and γ-alumina determined based on the experimental adsorption data. By combining the parameters with the reported thermodynamic constants for amino acid polymerization in water, the impacts of these minerals on Asp dimerization are calculable over a wide range of environmental conditions. It was predicted, for example, that ferrihydrite strongly increases the AspAsp/Asp equilibrium ratio in neutral to acidic pH; the ratio in the adsorbed state reaches 40% even from a low Asp concentration (0.1 mM) at pH 4. This percentage is approximately 5 × 107 times higher than that attainable without mineral (8.5 × 10–6%). Our exemplified approach enables us to screen wide environmental settings for abiotic peptide synthesis from a thermodynamic perspective, thereby narrowing down the geochemical situations to be explored for life’s origin on Earth and Earth-like habitable planets.

Metal-Organic Frameworks (MOFs) are a subclass of porous materials that have unique properties such as varieties of structures from different metals and organic linkers, tunable porosity from a structure or framework design, etc. Moreover, modification/functionalization of the material structure could optimize the material properties and demonstrate high potential for a selected application. MOF materials exhibit exceptional properties and make these materials widely applicable including in energy storage and heat transformation applications. This review aims to give a broad overview of MOFs and their development as adsorbent materials having the potential for heat transformation applications. We summarize current investigations, developments, and possibilities of metal-organic frameworks (MOFs) especially the tuning of the porosity and hydrophobic/hydrophilic design required for this specific application. These materials applied as adsorbent are promising in the thermal driven adsorption for heat transformation using water as working fluid and related application.

In this work, we synthesized chitosan grafted-poly acrylic acid (CS-g-PA) through surface-initiated atom transfer radical polymerization (SI-ATRP). We also studied the adsorption process of copper and lead ions onto CS-g-PA surface. Adsorption equilibrium studies indicated pH 4.0 as the best pH for the adsorption process, while the maximum adsorption capacity for Pb2+ ions was 98 mg*g-1 and for Cu2+ was 164 mg*g-1, higher adsorption capacities than chitosan alone (CS), where Pb2+ was only 14.8 mg*g-1and Cu2+ was 140 mg*g-1, respectively. Furthermore, the adsorption studies indicated that Langmuir model describes all the experimental data. All these results suggest that the new CS-g-PA polymers had potential as adsorbent for hazardous and toxic metal ions produced by different industries.

The paper discusses the mechanism of montmorillonite structure alteration and bentonites properties modification (on the example of samples from clay deposit Taganka, Kazakhstan) due to the thermochemical treatment (treatment with inorganic acid solutions at different temperatures, concentrations and reaction times). With the use of the suit of methods certain processes were distinguished: transformation of montmorillonite structure, which appears in the leaching of interlayer and octahedral cations, protonation of the interlayer and OH groups at octahedral sheets. Changes in the structure of the 2:1 layer of montmorillonite and its interlayer result in significant changes in the properties – reduction of cation exchange capacity and an increase of specific surface area. The results of the work showed that bentonite clays retain a significant portion of its adsorption properties even after the long term and intense thermochemical treatment (6M HNO3, 60°C, 108 hours)

Though nowadays germanium do not reach the range of popularity than other metals, i.e. rare earth elements, its utility in target industries makes of it also a strategic metal. Though germanium can be find in a series of raw materials, the principal source for its recovery is from secondary wastes of the zinc industry, and also, the recycle of germanium-bearing waste materials is becoming of interest. In this recovery, Hydrometallurgy is performing a key role to the successful achievement of this goal. The present work reviews the most recent applications (2023 and 2024 years) of hydrometallurgical operations on the recovery of germanium from different solid and liquid sources.

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.

When wastewater containing methylene blue, a cationic dye is improperly treated or immediately dumped into the environment, it can degrade the quality of water bodies and contaminate the ecological environment. The removal of methylene blue from the aqueous solution is critical and urgent. The present work focuses on the use of maize stalk agricultural waste to prepare an adsorbent for the removal of cationic dye (methylene blue) from an aqueous solution. The prepared maize stalk biochar (MSB) was modified with MnO2 and the modified maize stalk biochar was characterized using Fourier transform infrared (FTIR) spectroscopy. Taguchi technique was employed to determine the optimum conditions for the removal of methylene blue (MB) dye from aqueous solution by MMSB. The factors were adsorbent dose (0.5, 1.0 and 1.5 g/100 mL), initial dye concentration (100, 200 and 300 mg/L), contact time (30, 60, 90 minutes) and pH (4, 6 and 8). Among the investigated process factors, adsorption efficiency was influenced by adsorbent dose and initial MB dye concentration. The optimum parameters were 1 g/100 mL adsorbent dose, 100 mg/L initial dye concentration, 60 minutes contact time and a pH of 8.0. This yielded a removal efficiency of 87.49% with adsorption capacity of 206.53 mg/g. The adsorption kinetics agreed with the pseudo-second-order (R2 of 0.999968) model and fitted a Langmuir isotherm (R2 of 0.9795) representing homogeneous monolayer chemisorption.

Dissolved organic matter (DOM) derived from organic fertilizers may increase soil phosphorus (P) availability. However, the frequently observed correlation between soil P availability and dissolved organic carbon (DOC) content has led to an excessive focus on DOC content at the expense of DOM properties. The present study investigated the influence of DOM characteristics on soil P availability by using a 6-year field experiment and microcosms of P sorption in paddy soil. Our results showed that partial replacement of chemical P fertilizer with manure or crop straw increased P fertilizer-use efficiency, even when decreasing chemical P input by 34 %, compared to normal chemical fertilization. The microcosm experiment demonstrated that DOM properties, rather than total DOC content, determine soil P sorption capacity, despite the significant correlation between DOC content and P availability observed in the field experiment. Manure-DOM exerted stronger inhibitory effects on P sorption than straw-DOM, and high molecular weight (HMW)-fractionated DOM exerted stronger inhibitory effects on P sorption than low-molecular-weight-fractionated DOM by 16-20%. The mechanism was rooted in the HMW DOM with unique characteristics (e.g., strong aromaticity, hydrophobicity, abundant humic-like components, carboxyl groups, and benzene ring structures) competing for soil P sorption sites (e.g., reduction in specific surface area and micropore volume), decreasing the soil surface charge (e.g., zeta potential), and thereby suppressing P sorption in paddy soil. Our study points out a promising avenue for regulating organic matter properties with organic fertilization to improve P use efficiency in agricultural soils.

As the major greenhouse gas, CO2 gas emission has been noticeably increased over the past decades resulting in global warming and climate change. As a result, it is imperative to reduce the excess CO2 in the atmosphere to hold “the increase in the global average temperature to well below 2°C (ideally 1.5°C) above pre-industrial levels set by the Paris Agreement on climate change. Among many ways, CO2 capture technology is considered as the most promising technology among the available technologies. Porous materials such as carbons, silica, zeolites, hollow fibers, and alumina are widely used as CO2 sorbents. However, among the available porous sloid sorbents, porous silica-based materials grabbed a significant attention due to their unique properties including high surface area, pore volume, good thermal and mechanical stability, and low cost. Therefore, development of porous silica materials as a promising CO2 absorbent is a continuously expanding research area in the current moment. Herein, we aim to visualize a full picture of the porous silica-based materials for CO2 capture. This review presents a comprehensive study of existing CO2 capture techniques and highlights the recent progress of different porous silica materials and synthesis processes. CO2 adsorption capacities of unmodified porous silica materials are less effective as compared with functionalized silica materials. Various research activities have been reported about functionalization of pours silica using amine groups. Therefore, in this review, different synthesis routes of amine-functionalized porous silica materials, CO2 adsorption capacities, gas selectivity and reusability were discussed. Moreover, the research challenges associated with the porous silica materials and future research directions are summarized.

The substrate N1, N3, N5 -tris(2-hydroxyphenyl)benzene-1,3,5-tricarboxamide (Sensor A) was prepared in the reaction of 1,3,5-benzenetricarboxylic acid (trimesic acid) and o-aminophenol in ethanol. The prepared organic sensor fulfills the chemiluminescent requirements including luminophore, spacer, and suitable binding receptor that distress the probe's luminescent features, providing selective and sensitive detection of mercury and iron ions in aqueous solutions. The sensor selectively detects mercury and iron ions in a water matrix containing various metal ions including sodium, calcium, magnesium, zinc, and nickel. Strong and immediate binding was observed between mercury ions and the substrate at pH 7.0 with a binding affinity toward Hg (II) enhanced by nine folds higher than that observed for iron sensor binding affinity, which makes the substrate a distinctive luminescence sensor for mercury detection at ambient conditions. The sensor shows a linear response toward Hg (II) in the concentration range from 4.2 x 10-5 to 2.0 x 10-8 M with a limit of detection of 1.0 x 10-8 M. Further, Sensor A provides linear detection for iron ions in the range from 1.5 x 10-3 to 1.5 x 10-8 M. The measured adsorption capacity of Sensor A toward mercury ions ranged from 1.25 to 1.97 mg/g and the removal efficiency from water samples reached 98.8% at pH 7.0. The data demonstrate that Sensor A is an excellent probe for detecting and removing mercury ions from water bodies.

This research intended to report amine-functionalized multiwall carbon nanotubes (MWCNTs) prepared by a simple method for efficient and rapid removal of Reactive Yellow 2 (RY2) from water. EDS analysis showed that the N content increased from 0 to 2.42% and from 2.42 to 8.66% after modification by APTES and PEI, respectively. BET analysis displayed that the specific surface area, average pore size, and total pore volume were reduced from 405.22 to 176.16 m2/g, 39.67 to 6.30 nm, and 4.02 to 0.28 cm3/g, respectively. These results proved that the PEI/APTES-MWCNTs were successfully prepared. pH edge experiment indicated that pH 2 was optimal for RY2 removal. At pH 2 and 25 °C, the time required for adsorption equilibrium was 10, 15, and 180 min at initial concentrations of 50, 100, and 200 mg/L, respectively; and the maximum RY2 uptake calculated by the Langmuir model was 714.29 mg/g. Thermodynamic studies revealed that the adsorption process was spontaneous and endothermic. 0-0.1 mol/L of NaCl showed negligible effect on RY2 removal by PEI/APTES-MWCNTs. Five adsorption/desorption cycles confirmed the good reusability of PEI/APTES-MWCNTs in RY2 removal. Overall, the PEI/APTES-MWCNTs are a potential and efficient adsorbent for reactive dye wastewater treatment.

The physicalchemistry properties and crystal structure of were nano-ZrO₂+3mol.%Y₂O₃ determined. The kinetics of the formation of H₂ as a result of the decomposition of H₂O on the surface of nano-ZrO₂+3mol.%Y₂O₃ was studied. Effects of adsorption and desorption process on ZrO₂+3 mol.%Y₂O₃ nanoparticles were studied at different (T=400÷1000⁰C) temperature. The study of H₂ in thermal processes at nano-ZrO₂+3 mol.%Y₂O₃ system increased. Such an increase in H₂ generation in comparison with a pure H₂O as thermal processes had formedactive centers for H₂O decomposition on the surface of the catalyst at the expense of δ-electrons emitted on the surface of nano-ZrO₂+3 mol.%Y₂O₃. This showed that the dimensions of the studied nanoscale particles systems are comparable to the free running distance of energy carriers generated by of nano-ZrO₂+3 mol.%Y₂O₃ as a result of thermal processes. These results are promising for hydrogen generation by waer spliting in near future.

Copper is a heavy metal used in many industries and known for its negative impacts on the environment and human’s health. A novel structured metal organic framework (MOF) was used for copper adsorption for this work. SEM, EDAX, XRD and FTIR were done to confirm the structure of MOF prepared. MOF of 0.05 gm was used to examine its ability in Cu+ 2 removals with different initial concentrations of Cu+2 and pH values (5, 7 and 9). The prepared MOF was able to achieve Cu removal with 94.6%, 93%, 91.5%, and 92.5 % for the initial concentrations of 5, 10, 15, and 20 ppm respectively. It also performed very well for pH 5 and 7 with average removal ranging from 93.9%-95% for pH 5 and 7 for the initial concentrations of 5, 10, and 15 respectively which indicate that the prepared MOF is of high ability in Cu+ 2 removal.

Knowledge of the interaction between inorganic and organic phosphates with soil minerals is vital for improving the soil P fertility. To achieve an in-depth understanding we combined adsorption experiments and hybrid ab initio molecular dynamics simulations to analyze the adsorption of common phosphates, i.e. orthophosphate (OP), glycerolphosphate (GP) and inositolhexaphosphate (IHP), onto the 100 surface plane of goethite. Experimental adsorption data per mol P-molecule basis fitted to the Freundlich model show the adsorption strength increases in the order GP < OP < IHP, and IHP adsorption being saturated faster followed by GP and OP. Modeling results show that OP and GP form stable monodentate (M) and binuclear bidentate (B) motifs with B being more stable than M, whereas IHP forms stable M and 3M motifs. Interfacial water plays an important role through hydrogen bonds and proton transfers with OP/GP/IHP and goethite. It also controls the binding motifs of phosphates with goethite. Combining both experimental and modeling results, we propose that the B motif dominates for OP, whereas GP forms M and IHP forms a combination of M and 3M motifs. The joint approach plausibly explains why IHP is the predominant organically bound P form in soil. This study could be considered as a preliminary step for further studies for understanding the mechanisms of how microbes and plants overcome the strong IHP–mineral binding to implement the phosphate groups into their metabolism.

A valorization process of spent coffee grounds (SCG) was studied. Thus, a two-stage process, a stage of extraction of the polyphenols and a stage of obtaining activated carbon (AC) by a carbonization process, was performed. The extraction was carried out with a hydro-alcoholic solution in a pressure reactor, modifying time and temperature. To optimize the extraction of polyphenols, a two-level factorial design with three replications at the central values was used. The best results were obtained by performing the extraction at 80 °C during 30 min, using a mixture of EtOH:H2O 1:1 (v/v) as extraction solution. Caffeine and chlorogenic acid were the most abundant compounds in the analyzed extracts, ranging from 0.09 to 4.8 mg∙g^-1 and 0.06 to 9.7 mg∙g^-1, respectively. The precursor obtained in the extraction stage were transformed into AC. An experimental design was realized in order to analyze the influence of different variables in the AC obtained process (reaction time and amount of potassium hydroxide used). Actived carbons with BET specific surface (SBET) comprised between 1600 m^2∙g^-1 and 2330 m²∙g^-1 had a microporous surface. Under the optimum conditions, the obtained AC presented a maximum adsorption capacity of methylene blue (qm) between 411 mg∙g^-1 and 813 mg∙g^-1.

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.

Prasinoviruses are large dsDNA viruses commonly found in aquatic systems worldwide, where they can infect and lyse unicellular prasinophyte algae such as Ostreococcus. Host susceptibility is virus strain-specific, but resistance of susceptible Ostreococcus tauri strains to a virulent virus arises frequently. In clonal resistant lines that re-grow, viruses are usually present for many generations, and genes clustered on chromosome 19 show physical rearrangements and differential expression. Here, we investigated changes occurring during the first two weeks after inoculation of viruses. By serial dilutions of cultures at the time of inoculation, we estimated the frequency of resistant cells arising in virus-challenged O. tauri cultures to be 10⁻³–10⁻⁴ of the inoculated population. Re-growing resistant cells were detectable by flow cytometry 3 days post-inoculation (dpi), visible re-greening of cultures occurred by 6 dpi, and karyotypic changes were visually detectable at 8 dpi. Resistant cell lines showed a modified spectrum of host-virus specificities and much lower levels of OtV5 adsorption.

Biomass is a widely distributed and renewable source of carbon. The main objective of this work is to produce an activated carbon from coconut shells with suitable characteristics to separate CO2 from biogas. The textural characterization of the adsorbent has been determined. Pure component adsorption isotherms of CO2 and CH4 at 30, 50 and 70 °C have been measured. Moreover, the performance of the produced activated carbon, as potential adsorbent for CO2 capture from a CO2/CH4 gas mixture has been evaluated under dynamic conditions in a purpose-built fixed-bed setup.

The determination of the specific surface free energy, specific properties and Lewis’s acid base of solid materials is of capital importance in many industrial processes such as adhesion, coatings, two dimensional films and adsorption phenomena. (1) Background: The physicochemical properties of many solid particles were characterized during the last forty years by using the retention time of injected well-known molecules into chromatographic column containing the solid substrates to be characterized. The obtained net retention time of the solvents adsorbed on the solid allowing the determination of the net retention volume directly correlated to the specific surface variables, dispersive, polar and acid-base properties. (2) Methods: Many chromatographic methods were used to quantify the values of the different specific surface variables of the solids. However, one found a large deviation between the different results. In this paper, one proposed a new method that quantify the specific free energy of adsorption as well as the Lewis’s acid-base constants of many solid surfaces. (3) Results: The new applied method allowed us to obtain the specific enthalpy and entropy of adsorption of polar model organic molecules on several solid substrates such as silica, alumina, MgO, ZnO, Zn, TiO2 and carbon fibers. (4) Conclusions: our new method based on the separation between the dispersive and polar free surface energy allowed to better characterize the solid materials.

Nitrogen (N) is an essential macro nutrient for crop growth; therefore, N deficit can greatly limit crop growth and production. In the North China Plain (NCP), winter wheat is one of the main food crops, and its yield has increased from approximately 4000 kg ha-1 to 6000 kg ha-1 in the last two decades. Determining the proper N application rates at different growth stages and in all seasons is very important for the sustainable and high production of wheat in the NCP. A field experiment with five N application rates (250, 200, 150, 100, and 40 kgN·ha-1, designated as N250, N200, N150, N100, and N40, respectively) was conducted during the 2017-2018 and 2018-2019 winter wheat seasons to investigate the effects of the N application rate on water- and fertiliz-er-utilization efficiency, and on the crop growth and yield of winter wheat under sprinkler fer-tigation conditions. The results showed that, in the N application range of 40-200 kg ha-1, crop yield and water- and fertilizer-use efficiencies increased as the N application rate increased; however, further increases in the N application rate did not have additional benefits. The N up-take after regreening of winter wheat linearly increased with crop growth. Considering the wheat yield and N-use efficiency, the optimal N application range was 200 kg ha-1, and the best top-dressing strategy was equal amounts of N applied at the regreening, jointing, and grain-filling stages. The results of this study will be useful for optimizing field N management to achieve high wheat yield production in the NCP and in regions with similar climatic and soil environment conditions.

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.

A winemaking waste was used as a precursor of activated carbon used in hazardous Cr(VI) removal from solutions. The preparation process consisted of a hydrothermal process, and a chemical activation, of the resulting product, with KOH. The adsorption results showed that the adsorption of Cr(VI) on the obtained activated carbon is strongly dependent on the stirring speed applied to the carbon/solution mixture, pH of the solution, and temperature. The equilibrium isotherm was well fitted to the Langmuir type-II equation, whereas the kinetic can be described by the pseudo-second-order kinetic model. Thermodynamic studies revealed that Cr(VI) adsorption was an exothermic and spontaneous process. Finally, desorption experiments showed that Cr(VI) was effectively desorbed using hydrazine sulfate solutions, and at the same time, the element was reduced to the less hazardous Cr(III) oxidation state.

Indonesia is one of the largest banana producing countries in the world remaining abundance solid waste of banana fruit bunch. The banana fruit bunch contains high natural fibers which were obtained by an impregnation process using potassium hydroxide (KOH) and followed by a carbonization process under steam at 250°C for 5 h. The nanomaterial of TiO₂/fibre was prepared by a hydrothermal process at 200°C for 4 h. Surface morphology proved that the TiO₂ was loaded into the fibre by an increasing roughness of the surface and irregular size of porosity. The development of amorphous to crystalline phase of TiO₂/fibre was clearly observed. The effectiveness of TiO₂/fibre for removal of rhodamine B was investigated from different parameters of adsorptions in aqueous solution. The equilibrium adsorptions show that the Langmuir and Freundlich isotherm exhibited the best correlation coefficient (R² > 0.94) relating to the chemisorption and physisorption interaction in the adsorption process. Kinetic models were well described by the pseudo-first and second-order with the best correlation coefficient (R² > 0.99). These results indicate that nanomaterial TiO₂/fibre can be used as an effective adsorbent for removal of rhodamine B in aqueous solution.

There is an urgent demand worldwide for the development of highly selective adsorbents and sensors of heavy metal ions and other organic pollutants. Within these environmental and public health frameworks, we are combining the salient features of clays and chelatant polymers to design selective metal ion adsorbents. Towards this end, the ion imprinting approach has been used to develop a novel nanohybrid material for the selective separation of Cu2+ ions in aqueous solution. The Cu2+-imprinted polymer/ montmorillonite nanocomposite (IIP/Mt) and non-imprinted polymer/montmorillonite nanocomposite (NIP/Mt) were prepared by radical photopolymerization process in the visible light. Ion imprinting was indeed important as the recognition of copper ions by IIP/Mt was significantly superior to that of NIP/Mt that is the nanocomposite synthesized in the same way but in the absence of Cu2+ ions. The adsorption process as batch study was investigated under the experimental condition affecting same parameters such as contact time, concentration of ions metals and pH. The adsorption capacity of Cu2+ ions is maximized at pH 5. Removal of Cu2+ ion achieved equilibrium within 15 minutes; the results obtained were found to be fitted by the pseudo-second order kinetics model. The equilibrium process was well described by the Langmuir isothermal model and the maximum adsorption capacity was found to be 23.6 mg/g.

Biohydrogen is a versatile energy carrier for the generation of electric energy from renewable sources. Hydrogenases can be used in enzymatic fuel cells to oxidize dihydrogen. The rate of electron transfer (ET) at the anodic side between the [NiFe]-hydrogenase enzyme distal iron-sulfur cluster and the electrode surface can be described by the Marcus equation. All parameters for the Marcus equation are accessible from DFT calculations. The distal cubane FeS-cluster has a three cysteine and one histidine coordination [Fe₄S₄](His)(Cys)₃ first ligation sphere. The reorganization energy (inner- and outer-sphere) is almost unchanged upon a histidine-to-cysteine substitution. Differences in rates of electron transfer between the wild-type enzyme and the all-cysteine mutant can be rationalized by a diminished electronic coupling between the donor and acceptor molecules in the [Fe₄S₄](Cys)₄ case. The fast and efficient electron transfer from the distal iron-sulfur cluster is realized by a fine-tuned protein environment which facilitates the flow of electrons. This study enables the design and control of electron transfer rates and pathways by protein engineering.

This comprehensive review explores recent advancements in heavy metal remediation techniques, focusing on the utilization of cellulose-silica composites and tailored surface modification techniques. We examine the synthesis strategies and properties of cellulose-silica adsorbents, highlighting their enhanced adsorption capacities and structural robustness for removing heavy metal pollutants from aqueous environments. The review investigates various surface modification approaches, including thiol-functionalization, amino acid grafting, and silane coupling agents, for optimizing the surface chemistry and morphology of cellulose-silica composites. Mechanistic insights into the adsorption processes and kinetics of modified adsorbents are discussed, along with considerations for optimizing adsorption performance under different environmental conditions. This review provides valuable perspectives on the development of effective adsorbent materials for sustainable heavy metal remediation applications.

Rare earth elements (REEs) and Sc are concentrated in aluminum production byproducts. The novel REEs recovery approach, which involves leaching by acid at a pH > 3 in the presence of MgSO4, results in the formation of a pregnant leach solution (PLS) with a low concentration of iron (Fe) and titanium (Ti) and a large quantity of valuable elements. The ion exchange method was acknowledged as the most favorable method used to separate the REEs from PLS. This work studies the application of chelating resin Puromet МТS9580 in the sorption recovery of Sc from sulfate solutions. To analyze the static Sc sorption data, Langmuir, Freundlich, and Temkin isotherm models were used. The Langmuir isotherm model was the best fitted to the experimental data, with a coefficient of determination (R2) of 0.983. The dynamic adsorption experiment was conducted using a PLS and a simulate solution without contaminants. Adsorption of Sc from the simulate solution was better fitted to the Thomas model with a Sc capacity greater than 7 mg mL–1. Because Ti had a gradual decrease in C/C0, which the Thomas model was unable to simulate, the modified dose-response (MDR) model fitted better with PLS. The NaHCO3 solution (200 g L–1) effectively desorbed Sc (>98 %) from simulated and PLS solutions after 1.5 h of stirring in a batch mode.

ABSTRACT Heavy metals have been classified as dangerous environmental pollutants. Interest in feasible ways to reduce heavy metals pollution is a noble goal. Adsorption is an effective method based on its effectiveness and low- cost. Nowadays, low-cost bio-sorbents have been utilized to replace costly expensive adsorbents. Rich cellulose materials are effective heavy metal adsorbents, and their performance can be enhanced via chemical modification. The present work reviews the steady progress in the utilization of agriculture by-product wastes as heavy metal bio-sorbent. The unique advantages of these by-products such as renewability, abundance, simple processing, and low cost, justifier this work. The results confirm that the chemically treated agro-wastes exhibit high- removal efficiency (reaches 95% in most cases). The adsorption isotherm studies indicate that the concentration of the metal ions has a significant effect on the adsorption process. The Freundlich model provides a physical adsorption model of the metal ions on the bio-sorbent surface. Langmuir isotherm offers an estimate of the effect of different factors on the efficiency of the process. The adsorption kinetics studies offer an idea of reaction pathways including the adsorption mechanism and the efficiency of the metal ion removal. Applying the pseudo-first-order and pseudo-second-order models describes the adsorption kinetics. This information can be utilized in developing effective strategies to remove heavy metal ions using chemically treated agro-waste. The data confirmed that chemical modification is a significant parameter in the efficiency of metal ion removal. The feasibility and effectiveness of using these cellulosic by-products as bio-sorbent should be given attention and encouraged.

Using straightforward and cost-effective methods, persimmon leaves were converted into a high-quality powder. This powder was applied as an adsorbent for the removal of Cu(II) and Cd(II) from aqueous solutions. Scanning electron microscopy (SEM) indicated the presence of particles with non-homogeneous sizes and rough texture. Elemental analysis and the EDX technique confirmed the presence of elements such as sulfur, phosphorus, nitrogen, and oxygen. The results of ¹³C nuclear magnetic resonance (¹³C-NMR), obtained through the cross-polarization technique, suggest the presence of groups containing sulfur and oxygen. Infrared spectroscopy (FTIR) indicated the existence of amine and hydroxyl groups. The material was used in solid-phase extraction of Cu(II) and Cd(II) in batch experiments, and its adsorption capacity was evaluated as a function of time, pH, and analyte concentration. Kinetic equilibrium was reached within 5 minutes, and the experimental data were fitted to the pseudo-second-order kinetic model. The optimum pH for adsorption of both metal species was observed to be around 5.0. The adsorption isotherms were adjusted using the modified Langmuir equation, and the maximum amount of metal species extracted from the solution was determined to be 0.213 mmol g^-1 for Cu(II) and 0.215 mmol g^-1 for Cd(II), with high linear correlation coefficients for both metals. The persimmon leaves are typically abundant during the growing season, and since they are seasonal, the Diospyros kaki L.f. tree undergoes the natural process of leaf abscission, ensuring the availability of leaves for application.

Water pollution with dyes is a critical environmental issue because off the huge amount of dyes disbarred annually which cause severe damage for the ecosystem and human life. On the other hand, the core-shell based magnetic materials have showed amazing character for controlling the material synthesis with targeted structure to enhance the adsorptive-removal of pollutants. Herein, Fe3O4 core-TiO2/mesoSiO2 and Fe3O4 core-mesoSiO2/TiO2 double shell nanoparticles were prepared by first (R1) and second (R2) routes. The preparation procedure is controlled to prepare the magnetic core with further coating layers from silica and titania for the uptake of methylene blue from aqueous solutions. The reported adsorption capacities for R1-0.2, R1-0.4 and R2 samples were 46, 38 and 50 mg/g respectively at pH 6 after 80 min contact time form 50 ppm methylene blue solution. The adsorption process of methylene blue onto Fe3O4core-meso SiO2/TiO2 double shell was well fitted with the pseudo-second-order kinetic model and Freundlish isotherm which suggested the quick and multilayer adsorption mechanism. In addition, results of thermodynamic investigation indicated that the surfaces of Fe3O4 core-mesoSiO2/TiO2 and Fe3O4 core-TiO2/mesoSiO2 double shell exhibit spontaneous tendency to adsorb methylene blue from the aqueous solutions. These results will encourage the further application of Fe3O4 core-meso SiO2/TiO2 and Fe3O4 core-TiO2/meso SiO2 double shell for removal of other dyes and pollutants from wastewater.

Breakthrough curves for the adsorption of H2S using a metal-oxides mixture were predicted using the Bohart-Adams model of fixed bed adsorption. This mixture (ZnMn2O4+ZnO+Mn2O3) came from the processing of an urban waste as spent alkaline batteries were. The H2S adsorption experiments were carried out in a fixed-bed column at 20º C, and under various experimental conditions: gas flow rate, inlet H2S concentration and adsorbent dosage. Curves predicted by the model matched well with experimental data, providing data for the possible scale-up of the system. At the various experimental variables, the efficiency of the column, were also provided in the work. This investigation demonstrated the usefulness of a waste material, like spent alkaline batteries, to provide an adsorbent material to mitigate the problem of the presence of this harmful gas.

Carrageenan (car-), used in the pharmaceutical as well as food industry, is marine sulfated polysaccharides. The carrageenan blends (CB) of kappa (κ-), iota (ι-), and lambda (λ-) of 50/50 weight by weight are multipurpose and biocompatible hydrophilic polymers. They were subjected to adsorption of copper (Cu2+) ions. The aim of the study was to conduct extensive rheological and mechanical studies rendering them suitable for biological purposes. The rheology was conducted at various temperatures using a frequency curve, frequency sweep, loss modulus, and storage modulus analysis. Models of rheology like Ostwald, Bingham, and Modified Bingham models were utilized. The rheological results demonstrated non-Newtonian/pseudo-plastic behavior at various temperatures. The models of rheology demonstrated good flow properties and rheological performance of these materials. These materials could be exploited for their application in pharmaceuticals, food, and cosmetics. Thus, our study reflects that these CB can be safely exploited in the healthcare, pharmaceutical, and food industry. However, further studies should be conducted to evaluate their effectiveness in clinical studies.

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.

Population growth and increasing global demand for freshwater have raised a serious challenge for the depleting sources of freshwater in the 21st century. Desalination technologies can be a reliable technique for providing freshwater. Capacitive deionization is one of the innovative desalination methods that has received increasing interest. Flow-electrode capacitive deionization (FCDI) (a new architecture of capacitive deionization) is one of the efficient, cost-effective, and environmentally-friendly desalination methods for freshwater production. In this experimental research, the performance of an FCDI system was investigated and the influence of important parameters such as flow rate of flow-electrodes, electrolyte salt concentration of flow-electrodes, and initial feed water concentration will be assessed on the efficiency of desalination operation. In this study, the flow-electrodes operated in short-circuited closed-cycle operation (SCC) mode, and also the feed water operated similarly to the flow-electrodes in closed-cycle. Moreover, in all the experiments, the salt adsorption capacity (SAC) and salt removal efficiency (SRE) was calculated. Herein, by optimizing the above mentioned parameters, the salt removal efficiency of 83% and a SAC value of 29.12 mg/g dry carbon were achieved in 5 hours.

Soil water loss by evaporation influences the sodium adsorption ratio (SAR) of irrigation drainage water. Evaporation concentrates sodium and magnesium but calcite precipitation has a more complicated effect on soluble calcium and alkalinity. Here we propose a revised sodicity hazard assessment that quantifies the impact of evaporative water loss and calcite precipitation on drainage water SAR. This paper shows sodicity hazard is determined by the initial composition of irrigation water as originally suggested by previous researchers, and provide a simple, accurate way to identify the potential sodicity hazard of any irrigation water. In particular, the initial equivalent concentration of alkalinity and calcium determine the salinization pathway followed during evaporation. If the irrigation water alkalinity exceeds soluble calcium expressed as equivalent concentrations, drainage water SAR approaches an upper limit determined by the initial relative concentration of sodium and magnesium. If irrigation water alkalinity is less than soluble calcium, drainage water SAR approaches a lower limit determined by the initial calcium, magnesium and sodium. In both cases the SAR is scaled by the square root of the concentration factor √Fc quantifying soil water loss. To assess the impact of evaporation and calcite precipitation on the SAR and test the accuracy of the new sodicity hazard assessment, we evaluated data from previously published lysimeter studies. We plotted water composition boundaries for each source water, comparing these boundaries to the drainage water composition recorded in the lysimeter studies. As salinity increased by evaporation, each drainage water followed a distinct salinization path.

In this study, Li-Al-OH layered double hydroxide (LDH), which was prepared by solvent-free one-step mechanochemical reaction of LiOH and Al(OH)₃, was applied to remove boron from aqueous solution. Dry-grinding for 3 h at a rotational speed of 500 rpm, Li/Al molar 1/2 was the optimum condition to prepare highly crystalline of Li-Al LDH phase with no evident impure phases. Two milling products with Li/Al molar ratio at 1/2 and 2/2 were evaluated for boron adsorption. The results confirmed that Li/Al molar ratio 2/2 sample showed high boron adsorption capacity due to the physical adsorption of Li-Al-OH LDH and chemical synergism of phase gel Al(OH)₃. The adsorption isotherms, described by the Langmuir model, indicated maximum monolayer boron uptake capacity 45.45 mg/g, implying competitive adsorption capacity of the material in our experiment.

Metal-organic frameworks (MOFs) represent the largest class of materials among the crystalline porous materials ever developed and have attracted attention as core materials for separation technology. Their extremely uniform pore aperture and nearly unlimited structural and chemical characteristics have attracted great interest and promise in applying MOFs to adsorptive and membrane–based separations. This paper reviews the recent research and development of MOF membranes for gas separation. Strategies for polycrystalline membranes and mixed matrix membranes are discussed, with a focus on separation systems involving hydrocarbon separation and CO2 capture. Challenges and opportunities for the industrial deployment of MOF membranes are also be discussed, providing guidance for the design and fabrication of future high-performance membranes. The contributions of the underlying mechanism to separation performances, and the adopted strategies and membrane processing technologies for breaking the selectivity/permeability trade–off are discussed.

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. The doping-induced and concentration-dependent phase transition of zirconium dioxide under the influence of yttrium oxide was studied, after which the position of the Fermi level changes and the energy gap decreases. It has been established that, not only for pure systems but including those doped with Y₂O₃, the main contribution to the formation of the conduction band is made by the p-states of electrons. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of -0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom. The calculations showed that ab initio research methods are capable of describing the mechanism of phase transitions of materials under the influence of alloying. That is, by optimizing the parameters of DFT calculations, it is possible to observe the effects of doping on other physical and chemical properties of materials, which are still beyond the scope of quantum chemical modeling. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation and can be used in designing humidity-to-electricity converters and creating solid oxide fuel cells based on ZrO₂.

The goal of this work is to develop a sustainable value chain of carbonaceous adsorbents that can be produced from the solid fibrous digestate (SFD) of biogas plants and further applied in integrated desulphurisation-upgrading (CO2/CH4 separation) processes of biogas to yield high purity biomethane. On this purpose, physical and chemical activation of the SFD derived biochar was optimised to afford micro-mesoporous activated carbons (ACs) of high BET surface area (590-2300 m2g−1) and enhanced pore volume (0.57-1.0 cm3g−1). Gas breakthrough experiments from fixed bed columns of the obtained ACs, using real biogas mixture as feedstock, unveiled that the physical and chemical activation conclude to different types of ACs which are sufficient for biogas upgrade and biogas desulphurisation respectively. Performing breakthrough experiments at three temperatures close to ambient it was possible to define the optimum conditions for enhanced H2S/CO2 separation. It was also concluded that the H2S adsorption capacity is significantly affected by restriction to gas diffusion. Hence, the best performance was obtained at 50 oC and the maximum observed in the H2S adsorption capacity vs the temperature is attributed to the counterbalance between adsorption and diffusion processes.

The combination of organic matter, iron oxide, and clay minerals is of great significance for the adsorption of copper ions (Cu). The purpose of this study is to explore the characteristics of Cu adsorption and laws governing Cu complexation to organic–inorganic, organic–clay mineral, and iron-oxide–clay mineral complexes in the sediments in the estuary of plateau fault and sinking lake——Dianchi Lake. In this study, Cu adsorption tests were performed on the three complexes, in order to study the kinetic behavior of adsorption, Langmuir and Freundlich isotherm models were used. The samples before and after adsorption were characterized via scanning electron microscope (SEM), Fourier infrared spectroscopy (FTIR), and X-ray diffraction (XRD). Our results show that, the Freundlich isotherm models model was able to describe adsorbent behavior in comparison to the Langmuir models. During the Cu adsorption process, the iron-oxide–clay mineral complex is able to adsorb Cu, via coordination exchange, through the –OH contained therein. Organic-matter–clay mineral complexes bonded to the surfaces of clay minerals by replacing the hydroxyl groups with functional groups (carboxyl groups or phenolic hydroxyl groups) contained in the organic matter. Organic–inorganic composites then adsorbed Cu through the coordination exchange of –OH in the polar functional groups of alcohols, phenols, and carboxylic acids. The adsorption capacity of Cu in these three sediment complexes was observed to have the following order: organic–inorganic complex > organic-matter–clay mineral complex > iron-oxide–clay mineral complex. The semi-quantitative analysis results of Fourier Infrared Spectroscopy show that the organic matter (changes in the peak area of functional groups such as carboxyl groups) in the organic-inorganic composite material has an important effect on the amount of copper ions adsorbed by clay minerals.

Seyfe Lake is an important part of the natural ecosystem of Central Anatolia and lies within a 1487 km² closed basin. Groundwater withdrawal for irrigation and recent climatic change have caused lake area to decrease for decades and to completely disappear briefly in August 2008. Groundwater quality is crucial for sustainable irrigation in the Seyfe Basin. A key finding of this study is the difference in the Hardie-Eugster alkalinity-to-calcium ratio of the lake water and that of most groundwater wells in the basin. This difference in the chemical signature of Seyfe Lake and basin groundwater means the evaporative salinization pathway of most groundwater discharged into the lake cannot account for the composition of Seyfe Lake. The ratio of actual evapotranspiration to precipitation will increase under current climate change projections. A second finding, with implications for soil salinization, is that most groundwater in Seyfe Basin has a Hardie-Eugster alkalinity-tocalcium ratio greater than unity, meaning soil alkalization will accompany soil salinization.

This research illustrates modification of multi-walled carbon nanotubes (MWCNT) by ZrO2/Pb to construct nanocomposites (MWCNT/ZrO2/Pb-NCs) by simple precipitation technique and subsequently examine its ability for adsorption of Amido black (AB) and Eosin B (EB) dyes in binary system. The present nanocomposites investigation by FESEM, XRD, FTIR, and EDX analysis, reveal its as-synthesized crystalline nature with cubic morphology and average particle size 30–50 nm. The present nano-adsorbent represent high efficiency for AB and EB adsorption from aqueous solution, while dependency of variables including pH, initial concentration of dyes, contact time and MWCNT/ZrO2/Pb-NCs mass were analyzed by central composite design (CCD). The predicted maximum removal percentage was 95% removal for both dyes is consequence of adjustment of operational conditions at pH of 6.0; 0.05 g MWCNT/ZrO2/Pb-NCs; 15 min stirring at 15 mg L-1 for both dyes. The Langmuir as applicable for representation and description of reveal data of adsorption with adsorption capacity of 15.46 and 16.92 mg g-1 for AB and EB, respectively. Pseudo-first order model owing to its high correlation coefficient and closeness of experimental and theoretical data well represented behavior of corresponding adsorption system. Mechanism examination strongly proof high contribution of external mass transference as the main rate-controlling step. The successful regeneration of MWCNT/ZrO2/Pb-NCs suggested their usefulness in wastewater treatment and its ability of environmental management.

Wasted Green tuff powder produced by cutting Towada stone is recycled as environmental cleaning material. The optimum temperature for green tuff powder calcination to reduce the hydroxyl radical produced in hydrogen peroxide decomposition with ultraviolet light (UV) and no light. The green tuff calcined at 800 °C shows the large decomposition rate of hydrogen peroxide with no UV light when measured by using ESR. With UV light, the optimum temperature for calcinating the green tuff powder in order to reduce hydroxyl radical is also 800 °C. Next, the powder calcined at 800 °C is used to produce the tile by compression and heating, and then the formaldehyde adsorption rate was measured. The green tuff powder calcined at 800 °C showed a high adsorption rate, similar to that of the activated carbon. The tiles formed at 40 MPa and heated st 1100 °C were the strongest and also adsorbed formaldehyde. The adsorbed formaldehyde on the green tuff tile and powder might have a possibility to decompose by photocatalytic.

(1) Background: The research on the potential of regional food products, known for their rich bio-active compound content, could enhance human health in local populations. This is especially pertinent amid the Covid-19 pandemic and global trade disruptions; (2) Methods: The current study evaluated the physico-chemical composition using standard methods, antioxidant activity via DPPH, ABTS, FRAP, and CUPRAC methods, sorption capacity (at 10°C, 25°C, and 40°C with water activity ranging from 0.1 to 0.9) through the static-gravimetric method, and monolayer moisture content (MMC) calculated using the BET model; (3) Results: The approximate physi-co-chemical composition of laboratory-produced quince powder is as follows: proteins - 1.27g, carbohydrates - 75.80g, fats - 0.49g, fibers - 21.50g, ash – 2.31g, and nutritional value – 355.65kcal. Antioxidant activity is confirmed by all methods. The Modified Halsey model is recommended to describe the sorption isotherms with an S-shaped form. The MMC for the adsorption process ranges from 14.41% d.b. to 7.09% d.b., and for the desorption process, it ranges from 13.11% d.b. to 7.80% d.b.; (4) Conclusions: Seasonal and regional foods boast the best nutritional profiles, as they are cultivated and harvested at optimal ripeness in natural sunlight, preserving the essential vitamins and minerals in the food.

This study explores cutting-edge and sustainable green methodologies and technologies for the synthesis of functional nanomaterials, with a specific focus on the removal of water contami-nants and the application of kinetic adsorption models. Our research adopts a conscientious ap-proach to environmental stewardship by synergistically employing eco-friendly silver nanopar-ticles, synthesized using Justicia Spicigera extract as a biogenic reducing agent, in conjunction with Mexican zeolite to enhance contaminant remediation, particularly targeting Cu²⁺ ions. Structural analysis, utilizing X-ray diffraction (XRD) and high-resolution scanning and transmis-sion electron microscopy (TEM and SEM), yields crucial insights into nanocomposite structure and morphology. Rigorous linear and non-linear kinetic models, encompassing pseudo-first order, pseudo-second order, Freundlich, and Langmuir, are employed to elucidate the kinetics and equilibrium behaviors of adsorption. Results underscore the remarkable efficiency of the Zeolite-Ag composite in Cu²⁺ ion removal, surpassing traditional materials, achieving an im-pressive adsorption rate of 98% for Cu. Furthermore, the Zeolite-Ag composite exhibits maxi-mum adsorption times of 480 minutes. In the computational analysis, an initial mechanism for Cu²⁺ adsorption on zeolites is identified. The process involves rapid adsorption onto the surface of the Zeolite-Ag NP composite, followed by a gradual diffusion of ions into the cavities within the zeolite structure. Upon reaching equilibrium, a substantial reduction in copper ion concen-tration in the solution signifies successful removal. This research represents a noteworthy stride in sustainable contaminant removal, aligning with eco-friendly practices and supporting the potential integration of this technology into environmental applications. Consequently, it pre-sents a promising solution for eco-conscious contaminant remediation, emphasizing the utiliza-tion of green methodologies and sustainable technologies in the development of functional na-nomaterials

The chemical reaction of ion-adsorption type rare earth during in-situ leaching process is accompanied by ion migration and charge movement, making the leaching process electrochemical in nature. The chemical reaction rate plays an important role in the leaching rate of rare earth elements. In this work, electrochemical impedance spectroscopy (EIS) was used to reveal characteristics of electrical resistance alteration and leaching rate of rare earth elements during in-situ leaching. The equivalent circuit model of the leaching process was established, and two critical parameters of solution resistance Rs and charge transfer resistance Rt were analyzed to reflect the electrochemical characteristics. According to the characteristics of electrical resistance alteration, the leaching process was divided into four stages: wetting, reaction, equilibrium, and top water stage. The resistance parameters Rs and Rt decreased first and then increased during the leaching process. The maximum value of Rs was 1330Ω∙cm2 at the end of the top water stage, and the minimum value was 135Ω∙cm2 at the beginning of the equilibrium stage. The maximum value of Rt was 8310Ω∙cm2 at the beginning of the leaching stage, and the minimum value was 21Ω∙cm2 at the end of the reaction stage. Rs and Rt were negatively correlated with the pore size and chemical reaction rate during leaching. With increasing of pore size and reaction rate , the resistance parameter decrease. This study provide a new idea for intelligent monitoring of rare earth ore.

Hybrid materials derived adsorbents have showed a great applicable efficiency in various fields including industrial uses and environmental remediation. Herein, the zinc oxide nanoparticles anchored carbon (ZnO-C) is fabricated and utilized for wastewater treatment by adsorption of Zn(II), Cd(II), Co(II) and Mn(II). The surface and structural characteristics are examined by TEM, SEM, XRD, FTIR, EDS and BET surface area. The Kinetics and equilibrium investigations are applied to optimize the adsorptive removal of Zn(II), Cd(II), Co(II) and Mn(II) onto ZnO-C. Results indicated formation of ZnO-C in crystalline spherical granules with nano-size between 29.3 and 48.8 nm. In addition, the spherical granules are gathered to form clusters. The FTIR indicated that the ZnO-C surface is rich with OH groups and ZnO. The adsorption capacity is reported as 212, 209, 200 and 230 mg/L for Zn(II), Cd(II), Co(II) and Mn(II) respectively. The optimum condition for maximum adsorption were pH between 5 and 6, contact time of 180 min and adsorbent dose of 0.1 g/L. The adsorptive removal data modeling for uptake of Zn(II), Cd(II), Co(II) and Mn(II) onto ZnO-C showed agreement with the assumption of pseudo 2nd order kinetic model and Freundlich isotherm suggesting fast adsorption rate and multilayer mechanism. The achieved adsorption capacity using the prepared ZnO-C is more effective compared to ZnO, carbon, Fe3O4 and Fe3O4-C. Real wastewater samples are applied including valley water, industrial wastewater and rain wastewater and evaluated for applicable uptake of Zn(II), Cd(II), Co(II) and Mn(II) using ZnO-C and Fe3O4-C with high efficiency.

The physical properties of coal reservoirs are the main restrictions to exploration and development of CBM. The study of the physical characteristics of coal reservoirs and their controlling factors is of great significance to the safe and efficient development and utilization of CBM resources in the mining area. The Pingdingshan No. 10 coal mine was chosen for this study because of its better gas production effect at the test wells. The reservoir properties of the main coal seams of the No. 10 coal mine were tested and analyzed to comprehensively evaluate the reservoir properties. The results indicate that (1) The gas content and methane purity of the No. 4 coal seam are significantly higher than the No. 2 seam, and therefore they have better development potential than the No. 2 seam; (2) The average adsorption time of the No. 2 coal seam is less than that of the No. 4 seam, making it easier to reach the peak production capacity of CBM wells in the short term, but is not conducive to long-term stable production of CBM. The Langmuir volume of the No. 2 coal seam samples was significantly greater than for the No. 4 coal seam; however, the No. 4 coal seam contains about three times the amount of gas in the No. 2 seam; (3) All three coal seams have high porosity, which is favorable for large amounts of CBM adsorption and storage. Micropores predominate, transitional pores are less frequent, and a few mesopores occur; macropores are the least common. Samples from the No. 4 seam contained the highest proportion of micropores; (4) Organic pores were common in the all coal samples, with pore diameters not more than 30 µm, mainly concentrated between 50.5 and 1000 nm. Microfractures with aperture less than 70 nm were relatively frequent, mainly in the 50–65 nm range. A large number of the nanoscale microfractures were curved or jagged; (5) Fractures in the No. 2 and No. 4 coal seam samples with widths of 50 nm to 20 µm were more developed, and many were filled with kaolinite, quartz and other minerals; (6) The samples contained mostly layered silicate minerals (kaolinite), with hard granular minerals (quartz) next, and a very small quantity of iron-type minerals such as siderite and pyrite in dendritic form. The results of this study can provide a reference basis for the large-scale development and utilization of subsequent CBM wells.

Biomass exploitation is a global trend due to the circular economy and the environmentally friendly spirit. Numerous applications are now based on the use of biomass derived products. Hydrogen sulfide (H2S) is a highly toxic and environmentally hazardous gas, which emitted from various processes. Thus, the efficient removal of this toxic hazardous gas following cost effective processes is an essential requirement. In this study, we present the synthesis and characterization of biomass-derived activated-carbon/zinc-oxide (ZnO@AC) composites from different biomass sources as potential candidates for H2S sorption. The synthesis involved a facile method for activated carbon production via pyrolysis and chemical activation of biomass precursors (spent coffee, Aloe-Vera waste leaves, and corncob). Activated carbon production was followed by the incorporation of zinc oxide nanoparticles into the porous carbon matrix using a simple melt impregnation method. The synthesized ZnO@AC composites were characterized using X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and nitrogen porosimetry. The H2S removal performance of the ZnO@AC composites was evaluated through sorption experiments using a handmade apparatus. Our findings demonstrate that the Aloe-Vera, Spent-coffee, and Corncob derived composites exhibit superior H2S sorption capacity up to 106 mgH2S/gads., 66 mgH2S/gads., and 47 mgH2S/gads. respectively.

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.

The present study was aimed at revealing the influence of the mechanical stress induced by water molecules adsorption on the composition of crystalline phases in the ZrO2–3mol%Y2O3-nanoparticles. Three basic methods have been used to determine the phase transition: neutron diffraction, Raman microspectroscopic scanning, and X-ray diffraction. The fact of phase-structural β → α transformation and the simultaneous presence of two polymorphic structural modifications (β is the phase of the tetragonal syngony and α of monoclinic syngony in nanosized particles (9nm)) under normal physical conditions was established by these methods. Satisfactory consistency was achieved between the results obtained using different techniques.

Concern over potential antimony mediated toxicity from mining and smelting activities has instigated novel concepts toward removing aqueous antimony ions. The iron based adsorbent Fe3O4/HCO was found to be efficient for treating antimony-containing wastewater However, ineffective methodology for preparation limited its effective adsorption capacity and thus wider application. In this study, a new type of HCO-doped-(Fe3O4)x adsorbent was prepared by co-precipitation method for doping Fe3O4 into HCO sludge (HCO), thereby improving adsorption performance for Sb(III) and Sb(V) ions, with the maximum adsorbing capacity being 44.46 mg/g and 47.91 mg/g, respectively. According to the results of BET, SEM-EDS, XRD and XPS, it were confirmed that the FeOOH and X≡Fe-OH were formed during the preparation process, bring about the increased the surface area, thus resulting in further increase of surface area, hydroxyl groups and the net negative ionic charge. Moreover, the adsorption kinetics followed the pseudo-second-order kinetic model which indicated that adsorption process of Sb(III)/Sb(V) by HCO-doped-(Fe3O4)x adsorbent was controlled by chemical reaction. The main adsorption mechanism is that antimony ion and amorphous iron oxide X≡Fe-OH undergo coordination exchange reaction and complexation reaction with CeO2 or Ce2O3. Furthermore, HCO-doped-(Fe3O4)x could adapt to wide pH and had stable adsorption ability after regeneration. The good adsorption performance of HCO-doped-(Fe3O4)x makes it a potential applications of adsorbent for removal of antimony.

Poly(vinyl butyral-co-vinyl alcohol-co-vinyl acetate) named further PVBA was investigated as protective coating for copper corrosion in 0.9 % NaCl solution using electrochemical measurements such as, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization associated with Atomic Force Microscopy (AFM). The PVBA coating on the copper surface (Cu-PVBA) was modeled in methanol containing PVBA. Its inhibitory properties against corrosion was comparatively discussed with those of the copper sample treated in methanol without polymer (Cu-Me) and of untreated sample (standard copper). A protective performance of PVBA coating of 80 % was computed from electrochemical measurements, for copper corrosion in NaCl solution. Also, AFM images designed a specific surface morphology of coated surface with PVBA, clearly highlighting a polymer film adsorbed on the copper surface, which presents certain deterioration after corrosion, but metal surface was not significantly affected compared to those of untreated samples or treated in methanol, in the absence of PVBA.

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.

The paper considers the issues of structural stability, electronic properties, and phonon dispersion of the cubic, tetragonal, and monoclinic phases of ZrO2. It was found that the monoclinic phase of zirconium dioxide is the most stable among the other two phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic values. The smallest negative modes were found for m-ZrO2. An analysis of the electronic properties showed that during the m–t phase transformation of ZrO2, the Fermi level first shifts by 0.125 eV towards higher energies, and then decreases by 0.08 eV in the t–c cross section. The band gap for c-ZrO2, t-ZrO2, and m-ZrO2 is 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35 and 16.15 mol. %Y2O3 on the m-ZrO2 structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO2 and an increase in their defectiveness. In this case, the position of the Fermi level changes abruptly, and the energy gap decreases. It has been established that not only for pure systems, including those doped with Y2O3, the main contribution to the formation of the conduction band is made by the p-states of electrons. An analysis of the mechanism of water adsorption on the surface of t-ZrO2 (101) and t-YSZ (101) showed that H2O on unstabilized t-ZrO2 (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of -0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom.

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>CH4>N2.

In the field of construction, materials referred to as sustainable are currently undergoing a process of technological development. This study aims to contribute to the understanding of the behavior of the fundamental properties of concretes prepared with recycled coarse aggregates that incorporate in their matrix a polyethylene terephthalate-based additive in an attempt to reduce their high porosity. Techniques to measure the gas adsorption, water porosity and x-ray diffraction (XRD) were used to evaluate the effect of the additive on the physical, mechanical and microstructural properties of these concretes. Porosity reductions of up to 30.60% are achieved with the addition of 1, 3, 4, 5, 7 and 9% of the additive, defining a new state in the behavioral model of the additive (the overdosage point) in the concrete matrix; in addition, the porous network of these concretes and their correlation whit other physical and mechanical properties are also explained.

The capacity and the mechanism of the adsorption of aqueous barium (Ba), cobalt (Co), strontium (Sr) and zinc (Zn) by Ecuadorian (NatAllo) and synthetic (SynAllo-1 and SynAllo-2) allophanes were studied as a function of contact time, pH and metal ion concentration using kinetic and equilibrium experiments. The mineralogy, nano-structure and chemical composition of the allophanes were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and specific surface area analyses. The evolution of adsorption fitted to a pseudo-first-order reaction kinetics, where equilibrium between aqueous metal ions and allophane was reached within < 10 min. The metal ion removal efficiencies varied from 0.7 to 99.7 % at pH 4.0 to 8.5. At equilibrium, the adsorption behavior is better described by the Langmuir model than by the Dubinin-Radushkevich model, yielding sorption capacities of 10.6, 17.2 and 38.6 mg/g for Ba^(2+), 12.4, 19.3 and 29.0 mg/g for HCoO_2^-, 7.2, 15.9 and 34.4 mg/g for Sr^(2+) and 20.9, 26.9 and 36.9 mg/g for Zn^(2+), respectively, by NatAllo, SynAllo-2 and SynAllo-1. The uptake mechanism is based on a physical adsorption process. Allophane holds great potential to remove aqueous metal ions and could be used instead of zeolites, montmorillonite, carbonates and phosphates for wastewater treatment.

The requirements for efficient replacement of fossil fuel, combined with the growing energy crisis, put hydrogen production into focus. Efficient and cost-effective electrocatalysts are needed for H2 production, and novel strategies for their discovery must be developed. Here we utilized Kinetic Monte Carlo (KMC) simulations to demonstrate that hydrogen evolution reaction (HER) can be boosted via hydrogen spillover to the support when the catalyst surface is largely covered by adsorbed hydrogen under operating conditions. Based on the insights from KMC, we synthesized a series of reduced graphene oxide-supported catalysts and compared their activities towards HER in alkaline media with that of corresponding pure metals. For Ag, Au, and Zn, the support effect is negative, but for Pt, Pd, Fe, Co, and Ni, the presence of the support enhances HER activity. The HER volcano, constructed using calculated hydrogen binding energies and measured HER activities, shows a positive shift of the strong binding branch. This work demonstrates the possibilities of metal|support interface engineering for producing effective HER catalysts and provides general guidelines for choosing novel catalyst-support combinations for electrocatalytic hydrogen production.

Propolis, or bee glue, is a complex mixture of resins from plant buds and flowers, wax, pollen and bee saliva. It also contains various vitamins, essential oils, mineral salts, trace elements, hormones and enzymes. It has been found that propolis possesses antimicrobial, antiviral and anti-inflammatory properties. We have studied the antiviral activity of six extracts of Bulgarian propolis collected from six districts of Bulgaria. The study was conducted against structurally different viruses: Human coronavirus strain OC-43 (HCoV OC-43) and Human respiratory syncytial virus type 5 (HRSV-5) (enveloped RNA viruses), Human herpes simplex virus type 1 (HSV-1) (enveloped DNA virus), Human rhinovirus type 14 (HRV-14) (non-enveloped RNA virus) and Human adenovirus type 2 (HadV-2) (non-enveloped DNA virus). The influence of the extracts on the internal replicative cycle of viruses was determined using the cytopathic effect (CPE) inhibition test. The virucidal capacity, their influence on the adsorption stage and their protective effect on uninfected cells were also determined by the end-point dilution method. Residual viral infectivity in propolis samples was compared to untreated controls and Δlgs were calculated. When administered during viral replication, most propolis extracts demonstrated the strongest activity against HCoV OC-43. The influence of propolis extracts on the viability of extracellular virions was expressed to a different degree in the various viruses studied, and the effect was significantly stronger in those with an envelope. Almost all extracts significantly inhibited the step of herpes virus adsorption to the host cell, and some of them showed a protective effect on healthy cells before they were subjected to herpes infection. Our results enlarge the knowledge about the action of propolis and could open new perspectives for its application in viral infections treatment.

The study of the surface thermodynamic properties of solid materials is primordial for the determination of the dispersive surface energy, polar enthalpy of adsorption and Lewis’s acid base properties of solid particles. Inverse gas chromatography technique (IGC) at infinite dilution is the best surface technique for the determination of the surface physicochemical properties of materials. (1) Background: This paper was devoted to study the surface properties of solid materials such as alumina particles by using IGC technique. (2) Methods: Different methods and molecular models such as spherical, cylindrical, van der Waals, Redlich-Kwong, Kiselev and geometric models, were used to determine the London dispersive surface energy of solid surfaces. Hamieh model was also used and highlighted the thermal effect on the surface area of solvents. (3) Results: The variations of the dispersive surface energy and the free energy of adsorption were determined for alumina particles as a function of the temperature as well as their Lewis’s acid base constants. Alumina surfaces were proved to exhibit a strong Lewis amphoteric character three time more basic than acidic (4) Conclusions: The new methodology based on Hamieh model gave the more accurate results of the physicochemical properties of the particle surfaces.

The etiology of exaggerated fibrous capsule formation around silicone mammary implants (SMI) is multifactorial but primarily induced by immune mechanisms toward the foreign material silicone. The aim of this work was to enlighten the disease progression from implant insertion and immediate tissue damage response reflected in (a) the acute wound proteome, and (b) the adsorption of chronic inflammatory wound proteins at implant surfaces. An intra-individual absolute quantitation TMT-liquid chromatography-tandem mass spectrometry approach was applied to profile wound proteome formed around SMI the first five days post-implantation. Compared to plasma, the acute wound profile resembled a more complex composition comprising plasma-derived and locally differentially expressed proteins (DEPs). DEPs were subjected to functional enrichment analysis, which revealed the dysregulation of signaling pathways mainly involved in immediate inflammation response and ECM turnover. Moreover, we found time-course variations in protein enrichment immediately post-implantation and adsorbed to SMI surfaces after 6-8 months. Characterization of the expander-adhesive proteome by label-free approach uncovered a long-term adsorbed acute wound and the fibrosis-associated proteome. Our findings propose a wound biomarker panel for the early detection and diagnosis of excessive fibrosis that could potentially broaden insights into the characteristics of fibrotic implant encapsulation.

This paper is devoted to an accurate determination of the London dispersive and polar free energy of adsorption, the two Lewis acid γs+ and base γs- components of polar surface energy γsAB of 2D single-crystalline and polycrystalline covalent organic frameworks such as TAPPy-TPA-COFs. Inverse gas chromatography (IGC) at infinite dilution was used to quantify the different surface parameters of the different materials. From IGC measurements, one determined the net retention time of the adsorption of n-alkanes and several polar solvents on single-crystalline and polycrystalline covalent organic frameworks. The free surface Gibbs energy of adsorption was obtained for the various organic molecules at different temperatures from their net retention volume values. The separation between the London dispersive energy and the polar energy of adsorbed molecules was carried out by using a new thermodynamic parameter PSX chosen as new indicator variable and taken into account the deformation polarizability and the harmonic mean of the ionization energies of solvents and solid materials, derived from London dispersion equation. The obtained results are very promising for the accurate determination of the surface thermodynamic parameters of adsorption of organic solvents on solid surfaces.

This paper constitutes an original and new methodology for the determination of the surface properties of carbon fibers in the two oxidized and untreated forms by inverse gas chromatography technique at infinite dilution based on the effect of the temperature on the surface area of the various organic molecules adsorbed on the carbon fibers. The studied thermal effect proved a large deviation of the classical methods or models relative to the new determination of the surface properties of carbon fibers, such as the dispersive component of their surface energy, the free surface energy, the free specific energy, the enthalpy and entropy of adsorption of molecules on the carbon fibers. The obtained specific enthalpy and entropy of adsorption for the polar solvents led to the determination of the Lewis’s acid-base constants of carbon fibers. Different molecular models and chromatographic methods were used to quantify the surface thermodynamic properties of carbon fibers and compared to the thermal model. The obtained results proved that the oxidized carbon fibers gave more specific interaction energy and greater acid-base constants than that of the untreated carbon fibers and thus highlighting the important role of the oxidization on the acid-base of fibers. The determination of the specific acid-base surface energy of the two carbon fibers showed greater values of the oxidized carbon fibers relative to the untreated carbon fibers. An important basic character was highlighted for the two studied carbon fibers, larger than the acidic character. It was observed that the Lewis’s acid-base constants of the oxidized carbon fibers are larger than that of the untreated fibers with more accentuated basic charterer. This result was confirmed by all molecular models and chromatographic methods.

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.