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Therapeutic antibodies play an important role in the public healthcare system to treat patients with a variety of diseases. Protein characterization using an array of analytical tools provides in-depth information for drug quality, safety, efficacy, and the further understanding of the molecule. A therapeutic antibody candidate MAB1 exhibits unique binding properties to both cation and anion exchange columns at neutral pH. This uniqueness disrupts standard purification processes and necessitates adjustments in manufacturing. This study identifies that the charge heterogeneity of MAB1 is primarily due to the N-terminal cyclization of glutamine to pyroglutamine and, to a lesser extent, succinimide intermediate, deamidation, and C-terminal lysine. Using three approaches, i.e., deferential chemical labeling, H/D exchange, and molecular modeling, the binding to anion exchange resins is attributed to negatively charged patches on the antibody's surface, involving specific carboxylic acid residues. The methodologies shown here can be extended to study protein binding orientation in column chromatography. [ABSTRACT FROM AUTHOR]

The synthesis of the accurate composition and morphological/structural design of multielement semiconductor materials is considered an effective strategy for obtaining high-performance hybrid photocatalysts. Herein, sulfur vacancy (Vs)-bearing In2S3/CuInS2 microflower heterojunctions (denoted Vs-In2S3/CuInS2) were formed in situ using In2S3 microsphere template-directed synthesis and a metal ion exchange-mediated growth strategy. Photocatalysts with flower-like microspheres can be obtained using hydrothermally synthesized In2S3 microspheres as a template, followed by Ostwald ripening growth during the metal cation exchange of Cu+ and In3+. The optimal heterostructured Vs-In2S3/CuInS2 microflowers exhibited CO and CH4 evolution rates of 80.3 and 11.8 μmol g−1 h−1, respectively, under visible-light irradiation; these values are approximately 4 and 6.8 times higher than those reported for pristine In2S3, respectively. The enhanced photocatalytic performance of the Vs-In2S3/CuInS2 catalysts could be attributed to the synergistic effects of the following factors: (i) the constructed heterojunctions accelerate charge-carrier separation; (ii) the flower-like microspheres exhibit highly uniform morphologies and compositions, which enhance electron transport and light harvesting; and (iii) the vs. may trap excited electrons and, thus, inhibit charge-carrier recombination. This study not only confirms the feasibility of the design of heterostructures on demand, but also presents a simple and efficient strategy to engineer metal sulfide photocatalysts with enhanced photocatalytic performance. [ABSTRACT FROM AUTHOR]

Lepidocrocite-type layered sodium titanate (NaxH2−xTi2O5) is widely used in environmental remediation because of its large specific surface area, formed by anisotropic crystal growth, and its ability to store and exchange cations between layers. Additionally, peroxo-titanate nanotubes (PTNTs), which are tubular titanates with peroxy groups, exhibit visible-light absorption capabilities, rendering them suitable for photocatalytic applications under visible light irradiation. However, because of cation exchange reactions, the Na+ concentration and pH of the solution can fluctuate under aqueous conditions, affecting the photocatalytic performance of the PTNTs. Herein, we evaluated the impact of cation exchange reactions on the photocatalytic degradation of Rhodamine B (Rh B) by PTNTs at controlled Na+ ratios. The observed pH of Rh B solutions increases due to the cation exchange reaction with Na+ and H3O+, leading to the formation of zwitter-ionic Rh B molecules, eventually weakening their adsorption and photodegradation performance. Moreover, the results indicate that inhibiting the pH increase of the Rh B solution can prevent the weakening of both the adsorption and photodegradation performance of PTNTs. This study highlights the significance of regulating the sodium ion content in layered titanate materials, emphasizing their importance in optimizing these materials' photocatalytic efficacy for environmental purification applications. [ABSTRACT FROM AUTHOR]

Salt stress seriously hinders the normal growth of plant seedling roots. Magnesium, as one of the essential medium elements for plant growth, can effectively alleviate the damage of salt stress to plant roots, but the key genes involved and their mechanism are still unclear. The purpose of this study was to explore the related molecular mechanism of exogenous magnesium regulating cation homeostasis in peanut seedlings under salt stress. Firstly, according to plant physiology experiments, it was found that exogenous magnesium treatment significantly improved the tolerance of peanut seedlings to salt stress. After that, the transcriptome data were integrated, and further gene expression analysis showed that the expression of genes such as CNGC1, NCLs, and NHX7 was regulated under exogenous magnesium treatment, which effectively reduced the accumulation of sodium ions in cells. At the same time, exogenous magnesium also regulates the expression of genes such as ACAs and POTs and maintains the homeostasis of calcium and potassium ions in cells. These results reveal the molecular mechanism of exogenous magnesium regulating the cation homeostasis of peanut seedlings under salt stress, which provides an important reference for further revealing the key genes of salt tolerance in plants. [ABSTRACT FROM AUTHOR]

Ningnanmycin is a widely used antibiotic in agricultural production that effectively controls fungal and viral diseases in tea trees and chrysanthemums. The polarity characteristic of ningnanmycin has posed limitations on the development of robust detection methods, thereby hindering effective monitoring and control measures. By combining cation exchange solid phase extraction (SPE) with hydrophilic interaction chromatography tandem mass spectrometry (HILIC-MS/MS), we have effectively tackled the issue pertaining to the separation and retention of ningnanmycin. The average recoveries of ningnanmycin in green tea, black tea, and chrysanthemum were 77.3–82.0%, 80.1–81.5%, and 74.0–80.0%, respectively. The intraday and interday relative standard deviations (RSDs) were below and equal to 7.7%. Good linearity was observed in the concentration range of 1–1000 μg/L (R2 > 0.998). The limits of detection (LODs) ranged from 1.1 μg/kg to 7.1 μg/kg, and the limits of quantification (LOQs) ranged from 3.6 μg/kg to 23.7 μg/kg for ningnanmycin. These results indicate the good accuracy, repeatability, reproducibility, and sensitivity of the method. It is suitable for detecting ningnanmycin in tea and chrysanthemum. [ABSTRACT FROM AUTHOR]

Bicarbonate ions (HCO3−) are abundant in karst water with poor lead (Pb) utilization and biodegradation. This study aimed to investigate the mechanism of HCO3− on the Pb removal efficiency and uptake ability of Pontederia crassipes (a widespread hydrophyte in the karst area) from karst water. The Pb concentration, Pontederia crassipes morphology, and functional group were detected. As the HCO3− molarity in karst water increased (3, 4, and 5 mmol/L), the removal of Pb increased (85.31%, 93.28%, and 95.16%), whereas the bioconcentration amount of Pb decreased (573, 501, and 301 mg/kg), mainly due to the insoluble PbCO3 and Pb (OH)2. The Pb bioconcentration factor was the highest (15,564) at 4 mmol/L HCO3− due to the maximum strength of cation exchange and cell wall protein C=O. High HCO3− molarities changed the variety of positive ions of cation exchange (HCO3− ≤ 4 mmol/L: Na, K, and Mg; HCO3− > 4 mmol/L: Mg and K), and relieved the breaking of roots, stomatal closure, and vascular system shrinking. Moreover, high HCO3− molarities diminished the C≡C oxidation, enlarged the displacement of SO42− and C-O, and stimulated the methyl transfer reaction and the bonding between -CH3 and Pb. [ABSTRACT FROM AUTHOR]

Lead chalcogenide nanoplatelets (NPLs) have emerged as a promising material for devices operating in the near IR and IR spectrum region. Here, we first apply the cation exchange method to PbSe/PbS core/shell NPL synthesis. The shell growth enhances NPL colloidal and environmental stability, and passivates surface trap states, preserving the main core physical properties. To prove the great potential for optoelectrical applications, we fabricate a photoconductor using PbSe/PbS NPLs. The device demonstrates enhanced conductivity and responsivity with fast rise and fall times, resulting in a 13 kHz bandwidth. The carrier transport was investigated with the field effect transistor method, showing p-type conductivity with charge mobility of 1.26 × 10−2 cm2·V−1·s−1. [ABSTRACT FROM AUTHOR]

In order to reduce the degree of efflorescence in alkali-activated metakaolin geopolymers, a modified 5A zeolite with cation-exchange properties was used to reduce the content of free alkali metal cations in the geopolymer. This work aims to investigate the effect of different dosages of modified 5A zeolite on the microstructure and properties of geopolymer by using compressive strength testing, pore structure analysis (BET), and SEM-EDS. The cation content in the leachate was evaluated using inductively coupled plasma atomic emission spectrometry (ICP-OES). The efflorescence area of the geopolymer was calculated using Image Pro Plus (IPP) software to evaluate the effect of modified 5A zeolite on the degree of efflorescence of the geopolymer and to reveal the effect of modified 5A zeolite on the migration patterns of Na+ and Ca2+ in the geopolymer. The results showed that modified 5A zeolite with a 4 wt.% content could optimize the pore structure and enhance the mechanical properties of MK geopolymer through internal curing and micro-aggregate effects, which could also exchange cations with the pore solution to form (N, C)-A-S-H gels. The Na+ leaching was reduced by 19.4%, and the efflorescence area of the MK geopolymer was reduced by 57.3%. [ABSTRACT FROM AUTHOR]

In this paper, the coal pillar dam body of the underground reservoir in Daliuta coal mine, along with the residual coal and the mine water present in the goaf, were taken as research subjects, and a dynamic simulation experiment device was constructed to simulate the actual process of a coal mine underground reservoir (CMUR). The composition and structure of middling coal during the experiment were determined by X-ray diffraction analysis (XRD) and X-ray fluorescence spectrometry (XRF), while changes in ion content in the mine water were assessed through ion chromatography (IC) and inductively coupled plasma emission spectrometry (ICP-OES). Based on both the composition and structure of coal as well as variations in ion concentrations in water, the interaction mechanism between coal and mine water was explored. The results showed that the water–coal interaction primarily arose from the dissolution of minerals, such as rock salt and gypsum, within coal. Additionally, coal samples in mine water exhibited adsorption and precipitation of metal ions, along with cation exchange reaction. Na+ in mine water predominantly originated from the dissolution of rock salt (sodium chloride) in coal, while Ca2+ and SO 4 2 − were released through the dissolution of gypsum and other minerals in coal. In the process of the water–coal interaction, Ca2+ in the water body was adsorbed and immobilized by the coal sample, leading to the formation and deposition of CaCO3 on the surface of the coal, thereby increasing the calcite content. These processes collectively contributed to a decrease in the concentration of Ca2+ in the water body. Moreover, the cation exchange reaction occurred between Ca2+ and Mg2+ in mine water and Na+ in the coal sample. The presence of Ca2+ and Mg2+ resulted in their displacement of Na+ within the coal matrix, consequently elevating Na+ concentration in the mine water while reducing both the Ca2+ and Mg2+ concentrations. On this basis, combined with insights from the water–rock interaction, it can be inferred that the adsorption mechanisms involving rocks played a dominant role in the decrease of Ca2+ concentration during the water–rock interactions. Meanwhile, the dissolution processes of minerals both in the water–rock and water–coal interactions predominantly contributed to the increase of Na+ and Cl− concentrations. [ABSTRACT FROM AUTHOR]

Saltwater intrusion into groundwater systems is a problem worldwide and is induced mainly by human activities, such as groundwater overexploitation and climate change. The coastal Los Planes aquifer in the southern part of the Baja California Peninsula (Mexico) is affected by seawater intrusion due to more than 40 years of groundwater overexploitation. A dataset of 55 samples was compiled, including 18 samples from our campaigns between 2014 and 2016. Several methods exist to define the impact of seawater in a coastal aquifer, such as the "seawater fraction", the "Chloro-Alkaline Indices", the "Hydrochemical Facies Evolution Diagram", and the "Saltwater Mixing Index". These methods provide reasonable results for most of the coastal zone of the Los Planes aquifer. A slight increase in mineralization was observed from 2014 to 2016 compared with the situation in 2003. However, in its northwestern part, samples from hydrothermal wells were not recognized by these methods. Here, the aquifer is affected mainly by thermal water with elevated mineralization, introduced through the El Sargento fault, a main fault, which cuts through the study area in the north–south direction. By considering known hydrothermal manifestations in the interpretation, samples could be classified as a combination of four end-members: fresh groundwater, seawater, and the composition of two types of thermal water. One thermal endmember with very low mineralization coincides with the thermal water described from the Los Cabos Block, where meteoric water represents the source (found in the Sierra la Laguna). The second endmember is comparable to coastal thermal manifestations where seawater represents the main source. Therefore, the higher mineralization in the northwestern zone is the result of the mobilization of thermal groundwater and direct mixing with seawater, which is introduced locally at the coast due to overextraction. This finding is important for future management strategies of the aquifer. [ABSTRACT FROM AUTHOR]

Cadmium (Cd) is a toxic heavy metal with very low permissible exposure limits and is, thus, a very dangerous pollutant for the environment and public health and is considered by the World Health Organisation as one of the ten chemicals of major public concern. Adsorption onto solid phases and (co)precipitation processes are the most powerful mechanisms to retain pollutants and limit their migration; thus, the understanding of these processes is fundamental for assessing the risks of their presence in the environment. In this study, the immobilisation of Cd by smectite clay has been investigated by batch sorption tests, and the experimental data were interpreted with a thermodynamic model, including cation exchange and surface complexation processes. The model can describe the adsorption of Cd in smectite under a wide range of experimental conditions (pH, ionic strength, and Cd concentration). Under the conditions analysed in this study, the precipitation of otavite (CdCO3) is shown to have a limited contribution to Cd immobilisation. [ABSTRACT FROM AUTHOR]

Doping the semiconductor nanocrystals is one of the most effective ways to obtain unique materials suitable for high-performance next-generation optoelectronic devices. In this study, we demonstrate a novel nanomaterial for the near-infrared spectral region. To do this, we developed a partial cation exchange reaction on the HgTe nanoplatelets, substituting Hg cations with Pb cations. Under the optimized reaction conditions and Pb precursor ratio, a photoluminescence band shifts to ~1100 nm with a quantum yield of 22%. Based on steady-state and transient optical spectroscopies, we suggest a model of photoexcitation relaxation in the HgTe:Pb nanoplatelets. We also demonstrate that the thin films of doped nanoplatelets possess superior electric properties compared to their pristine counterparts. These findings show that Pb-doped HgTe nanoplatelets are new perspective material for application in both light-emitting and light-detection devices operating in the near-infrared spectral region. [ABSTRACT FROM AUTHOR]

The title compound triphenyl tetrazolium (TPT) of phenobarbital, 5-Ethyl-5-phenylbarbituric acid triphenyl tetrazolium salt (4) was prepared by the reaction of 5-Ethyl-5-phenyl-2,4,6(1H, 3H, 5H)-pyrimidinetrione, monosodium salt (1) with triphenyl tetrazolium chloride (3) in deionized water at an ambient temperature through a cation exchange reaction. Colorless crystals of compound four suitable for an X-ray structural analysis were obtained by slow evaporation from acetonitrile. Compound four had crystallized in the monoclinic space group, P21/c, with a = 15.3678 (9) Å, b = 12.2710 (7) Å, c = 21.8514 (13) Å, β = 109.867 (2)°, V = 3875.5 (4) Å3, and Z = 4. A Through density functional theory (DFT) calculations, the probable molecular association structure in the phenobarbitone -triphenyl tetrazolium solution was studied. With the 6-311G-(d,p) basis set, the gas phase features of the phenobarbital-triphenyl tetrazolium clusters with a phenobarbitone dimer and water molecules, including an optimum structure and intermolecular hydrogen bonding, were investigated in detail. In addition, the positions and strengths of the intermolecular hydrogen bond interactions between the phenobarbitone and triphenyl tetrazolium molecules were analyzed using atoms in molecule (AIM) analysis, reduced density gradient (RDG) methods, the XRD method, and the non-covalent interaction (NCI) index method. In addition, the molecular electrostatic potential (MEP) surfaces were analyzed to determine the electrophilic and nucleophilic centers. [ABSTRACT FROM AUTHOR]

Zeolites with the LTL framework topology are attractive materials for use in optoelectronics, gas adsorption and as chemical reactors. This is due to their unique, one-dimensional (1D) channel systems which are large enough to act as hosts for organic dye molecules and other guest materials. Here, we use high-resolution X-ray diffraction to show the effect of cation exchange on the pore geometry of LTL-type zeolites. The nature of the exchanging cation is shown to influence the free access diameter, volume and water content of the 12-ring (12R) channel systems. As such, cation exchange can be used to tune the molecular sieving and adsorption properties of LTL-type zeolites. This offers new possibilities for these materials in technologically relevant applications. [ABSTRACT FROM AUTHOR]

This paper demonstrates that intercalating Na+ homoionic vermiculite with Fe3+ polyhydroxy cations (1:1 molar ratio OH− to Fe3+) significantly improved the affinity of the clay mineral-based sorbent toward phosphate. Kinetic experiments revealed that adsorption is fast, approaching an equilibrium within about 200 min of contact time, and that the rate-limiting step is the intraparticle diffusion. Adsorption isotherms fitted to the Freundlich equation and a two-site Langmuir model, consistent with the heterogeneity of adsorption sites. The separation factor derived from the Langmuir constant revealed that the adsorption was favorable and even irreversible for high-affinity minor adsorption sites. The adsorption capacity was 299 ± 63 μmol g−1 (9.3 ± 2.1 mg P g−1), a value similar to several other clay-based phosphate adsorbents. Application to reservoir water spiked with 10 mg L−1 in P removed about 71% of the available phosphate. [ABSTRACT FROM AUTHOR]

This work describes the optimization of a methodology for the reduction of silver ions from silver nanoparticle suspensions obtained from low-yield laboratory procedures. The laboratory synthesis of silver nanoparticles following a bottom-up approach starting from silver nitrate, originates silver ions that were not reduced to their fundamental state for nanoparticles creation at the end of the process. However, it is well known that silver ions can easily influence chemical assays due to their chemical reactivity properties and can limit biological assays since they interfere with several biological processes, namely intracellular ones, leading to the death of living cells or organisms. As such, the presence of silver ions is highly undesirable when conducting biological assays to evaluate the influence of silver nanoparticles. We report the development of an easy, low-cost, and rapid methodology that is based on cation exchange resins to minimize the silver ion content in a raw suspension of silver nanoparticles while preserving the integrity of the nanomaterials. This procedure preserves the physical-chemical properties of the nanoparticles, thus allowing the purified nanoparticulate systems to be biologically tested. Different types of cationic resins were tested, and the developed methodology was optimized by changing several parameters. A reduction from 92% to 10% of free silver/total silver ratio was achieved when using the Bio-Rad 50W-X8 100–200 mesh resin and a contact time of 15 min. Filtration by vacuum was used to separate the used resin from the nanoparticles suspension, allowing it to be further reused, as well as the purified AgNPs suspension. [ABSTRACT FROM AUTHOR]

The Alternative Buffer Material ABM5 experiment is an in situ medium-scale experiment performed at Äspö Hard Rock Laboratory (HRL) conducted by SKB in Sweden with the aim of analysing the long-term stability of bentonites used as an engineering barrier for a high-level radioactive waste repository (HLWR). In this work, four different ring-shaped Ca- and Na-bentonite blocks, which were piled around a carbon steel cylindrical heater, subjected to a maximum temperature of 250 °C and hydrated with saline Na-Ca-Cl Äspö groundwater (0.91 ionic strength), were characterized after dismantling. This work allowed us to identify the main geochemical processes involved, as well as the modifications in the physico-chemical properties and pore water composition after 4.4 years of treatment. No significant modifications in mineralogy were observed in samples close to the heater contact, except an increase in Fe content due to C-steel corrosion, carbonate dissolution/precipitation (mainly calcite and siderite) and Mg increase. No magnetite and a low amount of Fe(II) inside the clay mineral structure were detected. No modifications were observed in the smectite structure, except a slight increase in total and tetrahedral charge. A decrease in external surface area and cation exchange capacity (CEC) was found in all samples, with lower values being detected at the heater contact. As a consequence of the diffusion of the infiltrating groundwater, a modification of the composition at clay mineral exchange sites occurred. Ca-bentonites increased their Na content at exchange sites, whereas Na-bentonite increased their Ca content. Exchangeable Mg content decreased in all bentonites, except in MX-80 located at the bottom part of the package. A salinity gradient is observed through the bentonite blocks from the granite to the heater contact due to anions are controlled by diffusion and anion exclusion. The pore water chemistry of bentonites evolved as a function of the diffusion transport of the groundwater, the chemical equilibrium of cations at exchange sites and mineral dissolution/precipitation processes. These reactions are in turn dependent on temperature and water vapor fluxes. [ABSTRACT FROM AUTHOR]

The novel hierarchical Ni-Co sulfide nanosheet-nanotubes arrays were directly grown on Ni foam, as binder-free electrodes, have been successfully synthesized following a one-step facile hydrothermal method combined with a sulfide treatment. The initial value of the area capacitance achieved 2.28 F cm−2 at a current density of 1 mA cm−2. A high areal capacitance retention of 95.2% compared to activation-induced peak value is achieved after 3000 charge-discharge cycles, which is much better than counter Ni-Co oxide electrode (1.75 F cm−2 at 1 mA cm−2, 93.2% retention compared to activation induced peak value). The outstanding and excellent super capacitive performance is ascribed to ion-exchange reaction, which induces a flexible hollow nanotube feature and show higher conductivity, compared with Ni-Co oxide NWs. Cyclic voltammetry (CV) and Electrochemical impedance spectra (EIS) results confirmed that the synthesized electrode contains the lowest resistance at high, and at lower frequency, leading to easy penetration of electrolytes and fast transportation of electrons inside the electrode. In this proposed work, a one-step hydrothermal method has been followed, and provided for the sulfide-induced, with a noticeable electrochemical performance of nickel cobaltite compounds and supplying a promising route for high-performance supercapacitor electrodes. [ABSTRACT FROM AUTHOR]

In this investigation, the crystal chemical characterization of one sample of woolly erionite-K (Lander County, NV, USA) was examined after suspension in a FeCl2 solution, in anaerobic conditions. The aim of this study was to determine the effect of the chemical composition of erionite on its efficiency to bind iron. Inductively coupled plasma (ICP) results showed that the sample bound Fe(II) through an ion-exchange mechanism mainly involving Ca. In addition, chemical and structural data indicated that Fe(II) is fixed at the Ca3 site, six-fold coordinated to water molecules. According to Brunauer--Emmett--Teller (BET) sample surface area the amount of Fe(II) bound by the fibers was comparable with that retrieved for fibrous erionite-Na sample from Rome (OR, USA) for which the ion-exchange process mainly affected Na. This finding provides clear evidence of a strong tendency of Fe(II) to bind to the erionite structure. Furthermore, considering that the woolly erionite-K from Langer County differs markedly from erionite-Na from Rome in the extra-framework cation content, our observations indicate that the Fe binding efficiency is not significantly modulated by the chemical composition. Notably, Fe ion-exchanged and/or accumulated on the fiber surface can generate hydroxyl radicals via the Fenton reaction, thus influencing the potential carcinogenicity of the different erionite species. [ABSTRACT FROM AUTHOR]

The exploitation of groundwater resources is of high importance and has become very crucial in the last decades, especially in coastal areas of arid and semi-arid regions. The coastal aquifers in these regions are particularly at risk due to intrusion of salty marine water. One example is the case of Tripoli city at the Mediterranean coast of Jifarah Plain, North West Libya. Libya has experienced progressive seawater intrusion in the coastal aquifers since the 1930s because of its ever increasing water demand from underground water resources. Tripoli city is a typical area where the contamination of the aquifer in the form of saltwater intrusion is very developed. Sixty-four groundwater samples were collected from the study area and analyzed for certain parameters that indicate salinization and pollution of the aquifer. The results demonstrate high values of the parameters Electrical Conductivity, Na+, K+, Mg2+, Cl- and SO42-, which can be attributed to seawater intrusion, where Cl- is the major pollutant of the aquifer. The water types according to the Stuyfzand groundwater classification are mostly CaCl, NaCl and Ca/MgMix. These water types indicate that groundwater chemistry is changed by cation exchange reactions during the mixing process between freshwater and seawater. The intensive extraction of groundwater from the aquifer reduces freshwater outflow to the sea, creates drawdown cones and lowering of the water table to as much as 25 m below mean sea level. Irrigation with nitrogen fertilizers and domestic sewage and movement of contaminants in areas of high hydraulic gradients within the drawdown cones probably are responsible for the high NO3- concentration in the region. [ABSTRACT FROM AUTHOR]

The structural changes along the c axis, of the Ba-exchanged montmorillonite (Swy-2-Ba), under variable relative humidity (% RH), is investigated. In this regard, the arrangement, amount and position of both exchangeable cation and the water molecules in the interlamellar space (IS), are evaluated. This aim is achieved using the X-ray diffraction (XRD) profile modeling approach that consists of comparing experimental and theoretical patterns calculated from structural models. The contributions of the hydration states and the interlayer water amounts, as a function of the % RH, are registered by quantitative XRD investigation. The validated structural models are heterogeneous, suggesting various proportions of layer types at different RH ranges, which means the coexistence of different mixed layer structure MLS packages, exhibiting different proportions of layers with contrasting hydration states. This result is attributed to the orientation of the applied hydration sequence. Indeed, the interlayer water molecule amounts, which led to the appearance of a logic hydration hysteresis, are strongly affected by hydrous perturbation. [ABSTRACT FROM AUTHOR]

People in the southwestern (SW) coastal part of Bangladesh are suffering from a severe freshwater crisis due to saline groundwater at a shallow depth. Fresh groundwater below a 200 m depth is an option, but it is costly to construct deep tubewells for the local inhabitants. The processes of salinization and freshening were previously identified using conventional methods. In this study, we brought new insight into these processes by analyzing existing datasets using multivariate statistics to identify the factors affecting groundwater chemistry. Cluster analysis (CA) revealed three major clusters. Cluster A corresponded to saline (NaCl-type) water. Cluster B was also saline (NaCl-type) water but showed mixing effects. Cluster C was fresh groundwater (NaHCO3-type) and isolated. The hydrochemical characteristics of clusters A, B and C compared remarkably well with the groundwaters from the upper shallow aquifer (USA), lower shallow aquifer (LSA) and deep aquifer (DA), respectively. Factor analysis (FA) showed that 75% of the total variance was influenced by evaporate dissolution, carbonate dissolution/precipitation, cation exchange and anthropogenic pollution to some extent. Therefore, the integrated approach showed the validity of applying multivariate statistical techniques to infer the dominant hydrochemistry and to characterize and understand a complicated hydrogeological system. [ABSTRACT FROM AUTHOR]

Acridine orange (AO) is a cationic fluorescent dye commonly used in DNA analyses. Extensive studies were conducted for its metachromasy under different solution concentrations and different amounts of AO sorbed on a solid surface. Meanwhile, for the safe disposal of wastewater, AO removal from water using different materials was also evaluated extensively. Clay minerals, due to their large specific surface area, high cation exchange capacity, and vast reserves, have been evaluated as potential sorbents for the removal of a variety of different types of contaminants, including color dyes. In this study, the sorption of AO on different types of clay minerals was contrasted. The sorption of co-presenting Zn2+ was much less than the sorption of AO, suggesting that clay minerals have higher affinities for AO in comparison to inorganic Zn2+. The desorption of exchangeable cations was linearly related to AO sorption, and the amounts of AO sorbed were close to the CEC values of the minerals, confirming that cation exchange is the dominating mechanism for AO sorption. Molecular dynamics simulation results showed that, under low and high AO loading levels, the sorbed AO formed monolayers and bilayers on the mineral surfaces of non-swelling clay minerals, except halloysite, as well as in the interlayer of swelling clay minerals, due to its relatively large dimer constant in solution. Overall, clay minerals are good candidates for the removal of cationic dyes from solution even in the presence of competing inorganic cations. [ABSTRACT FROM AUTHOR]

In this study, we fabricated and characterized uniform multi-cation perovskite FAxMA1−xPbI3 films. We used the dynamic spin-coating method to control the cation ratio of the film by gradually increasing the FA+, which replaced the MA+ in the films. When the FA+ concentration was lower than xFA ~0.415 in the films, the stability of the multi-cation perovskite improved. Above this concentration, the film exhibited δ-phase FAPbI3 in the FAxMA1−xPbI3 films. The formation of δ-phase FAPbI3 disturbed the homogeneity of the photoluminescence spatial distribution and suppressed the absorption spectral bandwidth with the increasing bandgap. The precise control of the cation ratio of multi-cation perovskite films is necessary to optimize the energy-harvesting performance. [ABSTRACT FROM AUTHOR]

This study aimed at investigating both the surface and bulk modifications occurring on fibrous erionite during leaching in a mimicked Gamble's solution (MGS) at pH of 4.5 and T = 37 °C, up to one month of incubation. Samples were characterized by a multi-analytical approach: field-emission scanning electron microscopy (FE-SEM) was employed to investigate the morphological changes of both pristine and reacted fibres, inductively coupled plasma optical emission spectrometry (ICP-OES) was used to measure the concentration of the released cations; X-ray photoelectron spectroscopy (XPS) was exploited for highlighting possible modifications of surface chemistry; X-ray powder diffraction (XRPD) and high-resolution transmission electron microscopy (HR-TEM) were applied aiming to get information on the structural state of the fibres following the incubation. ICP results integrated with those obtained by both bulk- and surface-chemical characterization highlighted that erionite binds Na especially in the first 24 h of sample incubation in the MGS, following ion exchange with the extra framework cations, in particular Ca. Moreover, our new results show that the Na binding process caused structural modifications with the migration of Na toward the Ca2 site and redistribution of the cations within the erionite cage. TEM investigation pointed out that the interaction between erionite and MGS results in the formation of a new surface amorphous layer with an irregular lobate pattern on an earlier surface weathered layer. However, the silicate framework is not weakened by incubation in the MGS at acidic pH. In addition, on the basis of the Si release normalized to the mineral surface area, fibrous erionite resulted significantly more biodurable than amphibole asbestos. Notably, considering the primary role played by biodurability in inducing pathogenicity, this result certainly supports in vivo observations showing that erionite is much more tumorigenic than asbestos. Moreover, the ions released by erionite when immersed in MGS may trigger biological effects, such as those on lipid packing and membrane permeability. On this basis, we expect a regulatory definition that would provide protection from this carcinogenic fibre. [ABSTRACT FROM AUTHOR]

Excipients play an important role in pharmaceutical formulations. Many clay minerals, because of their large specific surface area and inert behaviour in reactions with active ingredients, are commonly used as excipients. In this study, the uptake of ranitidine (RT), the active ingredient of Zantac, on and released from palygorskite (Pal), kaolinite (Kao), and talc was evaluated under different physicochemical conditions. The results showed that the uptake of RT on these minerals was limited to the external surface areas only. Cation exchange and electrostatic interactions were responsible for the RT uptake on Pal and Kao, resulting in a monolayer sorption. In contrast, multilayer RT uptake was found on the talc surfaces. Under different desorbing conditions, significant amounts of sorbed RT remained on the solid surface after 5 h of desorption. The results suggest that the sorptive interactions between the active ingredients and the excipients may not be neglected in pharmaceutical formulations, should these minerals be used as additives and/or excipients. [ABSTRACT FROM AUTHOR]

Semiconductor colloidal nanoplatelets (NPLs) are a promising new class of nanostructures that can bring much impact on lightning technologies, light-emitting diodes (LED), and laser fabrication. Indeed, great progress has been made in optimizing the optical properties of the NPLs for the visible spectral range, which has already made the implementation of a number of effective devices on their basis possible. To date, state-of-the-art near-infrared (NIR)-emitting NPLs are significantly inferior to their visible-range counterparts, although it would be fair to say that they received significantly less research attention so far. In this study, we report a comprehensive analysis of steady-state and time-dependent photoluminescence (PL) properties of four monolayered (ML) PbSe NPLs. The PL measurements are performed in a temperature range of 78–300 K, and their results are compared to those obtained for CdSe NPLs and PbSe quantum dots (QDs). We show that multiple emissive states, both band-edge and trap-related, are responsible for the formation of the NPLs' PL band. We demonstrate that the widening of the PL band is caused by the inhomogeneous broadening rather than homogeneous one, and analyze the possible contributions to PL broadening. [ABSTRACT FROM AUTHOR]

The effect of seawater on the groundwater in archipelago of South Korea where it has rarely been investigated was analyzed by examining the hydrogeochemical characteristics. A total of 74 groundwater samples were classified by water quality type and Cl−/HCO3− molar ratio. First, 36 samples of the Ca–Cl type and 32 samples of the Na–Cl type (accounting for 91.9% of the total) were considered to have been influenced by seawater. When the samples had been classified based on the Cl−/HCO3− molar ratio, the samples with a Cl−/HCO3− molar ratio of 2.8 or higher (indicating that seawater had highly influenced the groundwater) accounted for 40 out of 74 samples. This confirms that the groundwater in the study area had been affected by seawater. When quantitatively determining the influence of seawater on the groundwater, the seawater mixing ratios using either Cl or Br ion were found to be almost the same. In the case of Cl ion, the mixing ratio was in the range of 0–10.4% (average of 1.0%), while when using Br ion, the mixing ratio was in the range of 0–7.6% (average of 0.6%). From a principal component analysis, it can be seen that the influence of seawater occupied the first component of 54.1% and it is evident that the samples with a large mixing ratio of seawater were from regions where seawater has a large influence. The ion-exchange reaction was proceeded by calculating the ionic delta value to indicate the seawater intrusion and cation exchange, and specific trends of the ions participating in the geochemical reaction related to the seawater mixing ratio are reported herein. It was found that the ionic delta value of each ion had a mixing ratio and specific tendency according to the change in mixing ratio before the constant value of the seawater mixing ratio saturated with Na2+. Our results show that it can be possible to grasp the contribution of the geochemical reactions of each ion to the seawater mixing ratio. [ABSTRACT FROM AUTHOR]

The capability of synthesizing specific nanoparticles (NPs) by varying their shape, size and composition in a controlled fashion represents a typical set of engineering tools that tune the NPs magnetic response via their anisotropy. In particular, variations in NP composition mainly affect the magnetocrystalline anisotropy component, while the different magnetic responses of NPs with isotropic (i.e., spherical) or elongated shapes are mainly caused by changes in their shape anisotropy. In this context, we propose a novel route to obtain monodispersed, partially hollow magnetite nanorods (NRs) by colloidal synthesis, in order to exploit their shape anisotropy to increase the related coercivity; we then modify their composition via a cation exchange (CE) approach. The combination of a synthetic and post-synthetic approach on NRs gave rise to dramatic variations in their magnetic features, with the pores causing an initial magnetic hardening that was further enhanced by the post-synthetic introduction of a manganese oxide shell. Indeed, the coupling of the core and shell ferrimagnetic phases led to even harder magnetic NRs. [ABSTRACT FROM AUTHOR]

Radium-bearing barytes (radiobarytes) have been known since the beginning of the 20th century. They are mainly found as precipitates of low-temperature hydrothermal solutions. In anthropogenic environments, they frequently occur as crusts on oil industry equipment used for borehole extraction, in leachates from uranium mill tailings, and as a by-product of phosphoric acid manufacturing. Recently, we recognized Ra-rich baryte as a precipitate in the water drainage system of a bituminous coal mine in the Czech part of the Upper Silesian Basin. The precipitate is a relatively pure baryte, with the empirical formula (Ba0.934Sr0.058Ca0.051Mg0.003)Σ1.046S0.985O4.000. The mean specific activity of 226Ra was investigated by the two-sample method and it equals 39.62(22) Bq/g, a level that exceeds known natural occurrences. The values for 228Ra and 224Ra are 23.39(26) Bq/g and 11.03(25) Bq/g. The radium content in the baryte is 1.071 ng/g. It is clear that the Ra-rich baryte results from the mixing of two different mine waters—brines rich in Ba, Sr, and isotopes 226Ra and 228Ra and waters that are affected by sulfide weathering in mine works. When this mixing occurs in surface watercourses, it could present a serious problem due to the half-life of 226Ra, which is 1600 years. If such mixing spontaneously happens in a mine, then the environmental risks will be much lower and will be, to a great, extent eliminated after the closure of the mine. [ABSTRACT FROM AUTHOR]

This study experimentally investigated heavy metal removal and accumulation in the aquatic plant Eichhornia crassipes . Pb, Zn, Cd, and Mn concentrations, plant morphology, and plant functional groups were analyzed. Eichhornia crassipes achieved high removal efficiency of Pb and Mn from karst water (over 79.5%), with high proportion of Pb, Zn, and Cd absorption occurring in the first eight days. The highest removal efficiencies were obtained at initial Pb, Zn, Cd, and Mn concentrations of 1 mg/L, 2 mg/L, 0.02 mg/L, and 0.2 mg/L, respectively. Eichhornia crassipes exhibited a high bioconcentration factor (Mn = 199,567 > Pb = 19,605 > Cd = 3403 > Zn = 1913) and a low translocation factor (<1). The roots accumulated more Pb, Zn, Cd, and Mn than the stolons and leaves due to the stronger tolerance of roots. The voids, stomas, air chambers, and airways promoted this accumulation. Pb, Cd, Zn, and Mn likely exchanged with Mg, Na, and K through the cation exchange. C≡C, C=O, SO 4 2- , O-H, C-H, and C-O played different roles during uptake, which led to different removal and accumulation effects.

Karst water is rich in calcium ions (Ca 2+ ) and exhibits poor metal availability and low biodegradation efficiency. This study sought to analyze the effects and mechanisms of Ca 2+ on lead (Pb) removal and absorption by Eichhornia crassipes (a floating plant common in karst areas). Moreover, the morphology and functional groups of E. crassipes in water were characterized via SEM, and FTIR. The results demonstrated that the removal rate of Pb in karst water (85.31%) was higher than that in non-karst water (77.04%); however, the Pb bioconcentration amount (BCA) in E. crassipes roots in karst water (1763 mg/kg) was lower than that in non-karst water (2143 mg/kg). With increased Ca 2+ concentrations (60, 80, and 100 mg/L) in karst water, the Pb removal rate increased (85.31%, 88.87%, and 92.44%), the Pb BCA decreased (1763, 1317, and 1095 mg/kg), and the Ca BCA increased (6801, 6955, and 9368 mg/kg), which was attributed to PbCO 3 and PbSO 4 precipitation and competitive Ca and Pb absorption. High Ca 2+ concentrations increased the strength of cation exchange, alleviated the fracture degree of fibrous roots, reduced the atrophy of vascular bundles, protected the cell wall, promoted C-O combined with Pb, enhanced the strength of O‒H, SO 4 2- , C=O, and reduced the oxidization of alkynyl acetylene bonds.

The adsorption of atenolol (AT) from aqueous solutions by Ca-montmorillonite (SAz-2) was investigated in batch studies under different physicochemical conditions. The AT existed in neutral un-dissociated form at pH 10, and was adsorbed on dioctahedral smectite (SAz-2) obeying the Langmuir isotherm with a maximum adsorption capacity of 330 mmol/kg. The kinetic adsorption suggested that both strong and weak adsorption sites existed on SAz-2 and participated in the adsorption mechanisms. The amount of exchangeable cations desorbed from SAz-2 during AT adsorption was linearly correlated with the amounts of adsorbed AT having slopes of 0.43, which implied that a cation exchange based adsorption mechanism was also in place. A comprehensive basal spacing change of SAz-2 was observed after AT adsorption on the clay mineral when tested with or without AT recrystallization. The intercalation of AT into the SAz-2 interlayers did not result in swelling due to the low adsorption capacity of the drug. Prominent interactions between the pharmaceutical molecule and SAz-2 were evidenced by apparent shifts of the infrared absorption bands after adsorption. The interlayer configurations and hydrogen bonding of AT on SAz-2 were also supported by infrared, X-ray diffraction and thermogravimetric analyses. This study suggested that SAz-2 is an excellent material to remove not only AT from pharmaceutical wastewater, but can potentially remove many other β-receptor blocker drugs. The results helped us to understand the possible interlayer configurations and adsorption mechanisms of the drugs on natural clay mineral based adsorbents. [ABSTRACT FROM AUTHOR]

The influence of pyrolysis temperature on cadmium (Cd) removal capacity and mechanisms by maize straw biochars (MSB) and Platanus leaves biochars (PLB) pyrolyzed at 300, 400, 500 and 600 °C was investigated. The results showed that the biochars pyrolyzed at 500 °C had the highest adsorption capacity for Cd, and the maximum adsorption at pH 5.0 was 35.46 mg/g and 25.45 mg/g for MSB and PLB, respectively. The increase in adsorption efficiency with increasing temperature indicated that the adsorption of Cd onto the biochars was endothermic. Based on the balance analysis between cations (Ca 2+ and Mg 2+ ) released and Cd adsorbed onto biochar in combination with SEM-EDX, FTIR, and XRD analysis, it was concluded that cation exchange, complexation with surface functional groups, precipitation with minerals (CdCO₃), and coordination with π electrons were the dominant mechanisms responsible for Cd adsorption by MSB. With the pyrolysis temperature increasing from 300 to 600 °C, the contribution of cation exchange (Ca 2+ and Mg 2+ ) on Cd removal by MSB decreased from 37.4% to 11.7%, while the contribution of precipitation with Otavite (CdCO₃) and Cd 2+ -π electrons interaction increased. For PLB, the insoluble Cd minerals were not detected by XRD, and the contribution of cation exchange had no significant difference for PLB pyrolyzed at 300, 400, 500 and 600 °C.