Ion Activity Research Articles

Spatial Scale Matters: Hydrolysis of Aryl Methyl Ethers over Zeolites.

The local environment of the active site, such as the confinement of hydronium ions within zeolite pores, significantly influences catalytic turnover, similar to enzyme functionality. This study explores these effects in the hydrolysis of guaiacols─lignin-derived compounds─over zeolites in water. In addition to the interesting catechol products, this reaction is advantageous for study due to its bimolecular hydrolysis pathway, which involves a single energy barrier and no intermediates, simplifying kinetic studies and result interpretation. As in alcohol dehydration, hydronium ions show enhanced activity in ether hydrolysis due to undercoordination and increased electrophilicity when confined within zeolite pores, compared to bulk water. In addition, a volcano-shaped relationship between hydronium ion activity and Brønsted acid density was observed. However, unlike alcohol dehydration, this activity distribution cannot be attributed to variations in ionic strength within the pores, as the rate-determining step in the hydrolysis of guaiacols involves the attack of a neutral water molecule, unaffected by ionic strength. Instead, a detailed transition state analysis revealed a significant thermodynamic energy compensation effect, driven by the spatial organization of the transition state. This organization is influenced by the available reaction space, the interaction between the reacting species and the zeolite environment, leading to the volcano-shaped dependence. This phenomenon also explains the unusual reactivity order of the 4-R-guaiacol derivatives (R = H, Me, Et, Pr) with zeolite catalysis, extending beyond the traditional steric and electronic effects to provide a deeper understanding of reactant reactivity. The work concludes that the critical spatial parameters for fast ether hydrolysis─resulting in the highest hydronium activity─are determined by a combination of zeolite properties (topology and acid density) and reactant size.

Unraveling dolomite dissolution stoichiometry in circumneutral to alkaline pH environments

Abstract Examining carbonate dissolution kinetics at mineral-water interface is crucial to understand numerous environmental and geochemical processes, including global carbon cycling, CO2 sequestration in deep geological reservoirs, and trace elements release in terrestrial and aquatic environments. Here we explored the effect of circumneutral to alkaline pH solutions (pH 6–11) on dissolution kinetics of pure dolomite and Ca and Mg release stoichiometry in flow-through reactor experiments at 25 ± 1 °C. Results revealed that the dolomite dissolution rates obtained from effluent Ca and Mg concentrations (RCa and RMg in mol/cm2/s) were dependent on input solution pH and HCO3 − log activity. The pH dependence of dissolution rates showed two distinct trends, i.e., at circumneutral pH ranging between 6 and 8, the dissolution rate decreased with increasing pH, with minimum rate at pH 8. While in the highly alkaline pH range (pH 9–11), the dolomite dissolution rate increased with an increasing pH. Irrespective of the input pH, the dolomite dissolution rates indicated a reverse relationship with HCO3 − log activity, with the lowest dissolution rate (RCa = 3.80 × 10–12 mol/cm2/s) at pH 8 where HCO3 − log activity attained the highest value (− 3.957). The lower RCa and RMg obtained at pH 8 compared to all the other pH could possibly be attributed to an inhibition caused by high HCO3 − log activity in solution at this pH. Dolomite dissolution rates were non-stoichiometric at all the experimental pH values, showing higher preferential Ca over Mg release (RCa > RMg) whereas an opposite trend was observed at pH 8, with RCa < RMg at the steady state. Saturation index values calculated using geochemical speciation modelling were positive for Mg-bearing minerals (brucite, dolomite, artinite) at alkaline pH of 10–11, indicating favourable conditions for their precipitation under studied conditions. This study provides insights on the significance of log ion activities of HCO3 − and Me-OH+ under varying pH for elucidating the dissolution mechanism of dolomite in circumneutral to alkaline aqueous environments.

Defining the Polycystin Pharmacophore Through HTS & Computational Biophysics.

Polycystins (PKD2, PKD2L1) are voltage-gated and Ca2+-modulated members of the transient receptor potential (TRP) family of ion channels. Loss of PKD2L1 expression results in seizure-susceptibility and autism-like features in mice, whereas variants in PKD2 cause autosomal dominant polycystic kidney disease. Despite decades of evidence clearly linking their dysfunction to human disease and demonstrating their physiological importance in the brain and kidneys, the polycystin pharmacophore remains undefined. Contributing to this knowledge gap is their resistance to drug screening campaigns, which are hindered by these channels' unique subcellular trafficking to organelles such as the primary cilium. PKD2L1 is the only member of the polycystin family to form constitutively active ion channels on the plasma membrane when overexpressed. HEK293 cells stably expressing PKD2L1 F514A were pharmacologically screened via high-throughput electrophysiology to identify potent polycystin channel modulators. In-silico docking analysis and mutagenesis were used to define the receptor sites of screen hits. Inhibition by membrane-impermeable QX-314 was used to evaluate PKD2L1's binding site accessibility. Screen results identify potent PKD2L1 antagonists with divergent chemical core structures and highlight striking similarities between the molecular pharmacology of PKD2L1 and voltage-gated sodium channels. Docking analysis, channel mutagenesis, and physiological recordings identify an open-state accessible lateral fenestration receptor within the pore, and a mechanism of inhibition that stabilizes the PKD2L1 inactivated state. Outcomes establish the suitability of our approach to expand our chemical knowledge of polycystins and delineates novel receptor moieties for the development of channel-specific antagonists in TRP channel research.

A room temperature rechargeable Li–LiNO3 battery with high capacity

Lithium-ion batteries (LIBs) have become advanced energy storage technologies; however, specific capacity remains limited by the active materials in cathodes. Here, we report Li-LiNO3 batteries (LNBs) where LiNO3 in electrolyte serves as both active materials and ion conductor at room temperature. LNBs operate on a highly reversible redox between NO3- and NO2-, which results in an impressive areal capacity of 19 mAh cm-2 at a plateau voltage of 1.75 V. Furthermore, the pouch cell exhibits stable cycling at a capacity of 100 mAh. This research underscores the potential of LNBs for high-capacity energy storage.

Contributions to Ionic Activity Coefficients: A Review and Comparison of Equations of State with Molecular Simulations

Contributions to Ionic Activity Coefficients: A Review and Comparison of Equations of State with Molecular Simulations

Structural characteristics and spectroscopic properties of deactivated ion Tb3+ and non-optical active ion Al3+ co-doped Dy3+: CaLaGa3O7 crystal

Structural characteristics and spectroscopic properties of deactivated ion Tb3+ and non-optical active ion Al3+ co-doped Dy3+: CaLaGa3O7 crystal

Electron transfer in polysaccharide monooxygenase catalysis

Polysaccharide monooxygenase (PMO) catalysis involves the chemically difficult hydroxylation of unactivated C-H bonds in carbohydrates. The reaction requires reducing equivalents and will utilize either oxygen or hydrogen peroxide as a cosubstrate. Two key mechanistic questions are addressed here: 1) How does the enzyme regulate the timely and tightly controlled electron delivery to the mononuclear copper active site, especially when bound substrate occludes the active site? and 2) How does this electron delivery differ when utilizing oxygen or hydrogen peroxide as a cosubstrate? Using a computational approach, potential paths of electron transfer (ET) to the active site copper ion were identified in a representative AA9 family PMO from Myceliophthora thermophila (MtPMO9E). When Y62, a buried residue 12 Å from the active site, is mutated to F, lower activity is observed with O2. However, a WT-level activity is observed with H2O2 as a cosubstrate indicating an important role in ET for O2 activation. To better understand the structural effects of mutations to Y62 and axial copper ligand Y168, crystal structures were solved of the wild type MtPMO9E and the variants Y62W, Y62F, and Y168F. A bioinformatic analysis revealed that position 62 is conserved as either Y or W in the AA9 family. The MtPMO9E Y62W variant has restored activity with O2. Overall, the use of redox-active residues to supply electrons for the reaction with O2 appears to be widespread in the AA9 family. Furthermore, the results provide a molecular framework to understand catalysis with O2 versus H2O2.

Ion Activity Coefficient of Sodium Halides in Anion-Exchange Polymers: Empirical Model Based on Manning’s Counterion Condensation Theory

The theory of electrolyte solution provides a precise description of the thermodynamic state and non-ideality of electrolyte solutions, allowing for the accurate prediction of the crystallization separation process of Salt Lake brine. Analogously, we attempt to describe the non-ideality of ions in ion-exchange polymers based on Manning’s Counterion Condensation Theory, which was originally used to describe the thermodynamics of polyelectrolyte solutions, has amply proven the potential to extend to ion-exchange polymers. In this article, equilibrium solvent and solute concentrations in aminated cross-linked polystyrene AEM were determined experimentally as a function of external NaCl concentration, and ion activity coefficients in the membranes were obtained via a thermodynamic treatment. With the recombination and empirical parameters added to Manning’s model, the ion activity coefficient of NaCl and NaBr in the aminated cross-linked polystyrene AEM can be accurately described in concentration ranges of 0.01 mol·kg−1~3 mol·kg−1. Compared with the original model, the Coefficient of Determination between the improved model and the experimental data was increased from 0.65 to 0.95. The Residual Sum of Squares is reduced by about one order of magnitude, significantly improving the Manning model’s adaptability when applied to AEM.

Proton Occupancies in Histidine Side Chains of Carbonic Anhydrase II by Neutron Crystallography and NMR - Differences, Similarities and Opportunities.

Histidine is a key amino-acid residues in proteins that can exist in three different protonation states: two different neutral tautomeric forms and a protonated, positively charged one. It can act as both donor and acceptor of hydrogen bonds, coordinate metal ions, and engage in acid/base catalysis. Human Carbonic Anhydrase II (HCA II) is a pivotal enzyme catalyzing the reversible hydration of carbon dioxide. It contains 12 histidine residues: sixsurface exposed, two buried, three active site zinc ion ligands, and one is a proton shuttle. Comparing results from NMR spectroscopy with previously determined neutron protein crystal structures enabled a side-by-side investigation of the proton occupancies and preferred tautomeric states of the histidine residues in HCA II. Buried and zinc coordinating histidines remain in one neutral tautomeric state across the entire pH range studied, as validated by both methods. In contrast, solvent-exposed histidines display high variability in proton occupancies. While the data were overall remarkably consistent between methods, some discrepancies were observed, shedding light on the limitations of each technique. Therefore, combining these methods with full awareness of the advantages and drawbacks of each, provides insights into the dynamic protonation landscape of HCA II histidines, crucial for elucidating enzyme catalytic mechanisms.

Anion‐Selective Ion Conductor Boosting Highly Flexible All‐In‐One Electrochromic Fabrics

AbstractFlexible all‐in‐one electrochromic fabrics (AECF) have attracted attention for application in wearable intelligent electronics. However, undifferentiated and disordered ion transport within the AECFs usually cause a slow transfer kinetics of reactive ions and thus restrict their electrochromic performance. Here, a new strategy is proposed to optimize active ion transport based on a well‐designed anion‐selective ion conductor (ASIC) for boosting the anionic AECF. The ASIC is developed by the interaction difference between ions and electronegative functional groups in the fabric substrate. Benefiting from cation immobilization and free anion transport, the ASIC exhibits both high anion transference number (0.75) and ionic conductivity (2.41 × 10−3 S cm−1) at room temperature. Such optimization of anion transport dynamics enhances the efficiency of the electrochromic redox reaction in the polyaniline‐based anionic AECF, contributing to a significant improvement of the overall electrochromic performance. Based on the switchable earth yellow and dark green discoloration, the AECF is further integrated into a camouflage uniform, achieving dynamic environment adaptation in deserts or forests. This work is anticipated to provide some fresh ideas for developing functional ion conductors of electrochromic fabrics toward applications in wearable intelligent electronics.

Pt@WS2 Mott-Schottky Heterojunction Boosts Light-Driven Active Ion Transport for Enhanced Ionic Power Harvesting.

Bioinspired light-driven ion transport in two-dimensional (2D) nanofluidics offers exciting prospects for solar energy harvesting. Current single-component nanofluidic membranes often suffer from low light-induced driving forces due to the easy recombination of photogenerated electron-hole pairs. Herein, we present a Pt@WS2 Mott-Schottky heterojunction-based 2D nanofluidic membrane for boosting light-driven active ion transport and solar enhanced ionic power harvesting. The photovoltaic effect in the Mott-Schottky heterojunctions and photoconductance effect in WS2 multilayers account for more efficient charge separation across the nanofluidic membrane. In an equilibrium electrolyte solution, we observe directional cationic transport from the WS2 to the Pt region under visible-light illumination. In 10-3 M KCl electrolyte, the photocurrent and photovoltage reach 11.84 μA cm-2 and 30.67 mV, respectively. Moreover, the output power can reach up to 5.02 W m-2 under light illumination, compared to a value of 2.56 W m-2 without irradiation. This work not only introduces a driving mechanism for boosting ion transport but also offers a pathway for integrating multiple energy sources.

Effect of Different Temperatures on Reactions of Potassium Adsorption and Availability in Saline Soils within Nineveh Governorate, Iraq

Thermodynamic criteria were used to evaluate the adsorption and release of potassium in saline soils. The study was conducted on three sites that differ in salt content in Nineveh Governorate - Iraq, and each site is divided into two depths (surface and subsurface). The study was conducted at three temperatures (278, 298, 318 Kelvin). The results of the study showed that there was an increase in the amount of potassium adsorbed and the percentage of adsorption with an increase in the amount of potassium added in all the studied soil samples. For the ability of the soil to the adsorption, the results showed a sudden increase in the adsorption of potassium at the application of the high levels (1 and 2 mmolL-1) of potassium in all the studied soils. Also, the highest value of the ionic activity of potassium (ARk) was (14.05 × 10-3 molL-1/2), at a temperature of 298 K in the subsurface soil layer of the first site, while the lowest one was (1.61 × 10-3 molL-1/2), in the same layer of the first site at a temperature of 278 K. The values ​​of free energy of potassium, ΔGK, in the studied soils ranged from the highest value reached (-14.85×10-3 kJ) at a temperature of 278 K, to the lowest value, reached (-10.56×10-3 KJ) at a temperature of 298 K, in the subsurface soil layer of the first site. Regarding the values ​​of entropy reaction, they ranged from the highest value of -53.43 Jmol-1 in the subsurface depth of the first site at a temperature of 278 K to the lowest value of -35.46 in the same layer of the first site at a temperature of 298 K. On the other hand, the enthalpy values ​​of the studied soil samples were negative, which indicates that the reaction is of the exothermic type, where the highest negative value for enthalpy was -29.70 kJmol-1 at a temperature of 278 K in the subsurface soil layer of the first site and the lowest negative value, was -20.42 kJmol-1 in the same layer of the first site at a temperature of 298 K.

Antibacterial and osteogenic gain strategy on titanium surfaces for preventing implant-related infections.

Infection and insufficient osseointegration are the primary factors leading to the failure of titanium-based implants. Surface coating modifications that combine both antibacterial and osteogenic properties are commonly employed strategies. However, the challenge of achieving rapid antibacterial action and consistent osteogenesis with these coatings remains unresolved. In this study, a functional composite coating (PDA/PPy@Cu/Dex) was prepared on titanium surfaces using layer-by-layer self-assembly and electrochemical deposition techniques. The hydroxyl groups grafted by polydopamine's (PDA) self-polymerization and the enhanced conductivity and uniform electric field distribution provided by polypyrrole (PPy) allowed for the even dispersion of copper nanoparticles and dexamethasone (Dex) on the titanium surface. This synergistically coupled the photothermal ion antibacterial properties of copper nanoparticles with the osteogenic promotion of dexamethasone. In vitro antibacterial experiments revealed that the heat generated by photothermal effects and reactive oxygen species enhanced the antibacterial activity of copper ions, reducing the antibacterial time to six h and achieving antibacterial enhancement. In vitro cell experiments showed that the long-term slow release of copper ions and dexamethasone enhanced the osteogenic differentiation of stem cells, thereby achieving osteogenic benefits. Moreover, in vivo toxicity experiments demonstrated that the composite coating had no adverse effects on normal tissues. Therefore, the antibacterial and osteogenic enhancement strategy for titanium surfaces presented in this study offers a new potential approach for preventing implant-associated infections.

Dynamic interfacial pH regulation with chitosan gel electrolyte for enhanced high-temperature Zn anode stability

Aqueous zinc-ion batteries (AZIBs) are promising for high-temperature energy storage due to their high safety, low cost, and energy density. However, their reversibility and cycling stability at elevated temperatures remain challenging. We introduce a novel dynamic interfacial pH regulation strategy specifically designed for high-temperature conditions to mitigate proton and by-product formation on zinc anodes. This strategy involves a chitosan gel electrolyte that not only reduces proton generation from water decomposition but also impedes zinc ion dissociation at elevated temperatures. The amino and hydroxyl groups in chitosan act as proton traps, releasing functional groups that form complexes with zinc ions, thereby reducing zinc ion activity and preventing hydrolysis. Furthermore, chitosan's hydrogen bonding sites decrease free water activity, inhibiting its decomposition and further suppressing proton generation. These unique features work together to enhance the stability and efficiency of zinc plating/stripping, achieving a coulombic efficiency of 99.3 % at 25 °C and 98.5 % at 60 °C. Zn||PANI cells using this chitosan-based electrolyte demonstrated remarkable long-term stability, retaining 68.7 % of their initial capacity after 2000 cycles at 60 °C and 5 A g-1.

Dissolution and solubility of the calcium-nickel carbonate solid solutions [(Ca1−xNix)CO3] at 25 °C

A series of the calcium-nickel carbonate solid solutions [(Ca1−xNix)CO3] were synthesized and their dissolution in N2-degassed water (NDW) and CO2-saturated water (CSW) at 25 °C was experimentally investigated. During dissolution of the synthetic solids (Ni-bearing calcite, amorphous Ca-bearing NiCO3 and their mixtures), the Ni-calcite and the Ca-NiCO3 dissolved first followed by the formation of the Ni-bearing aragonite-structure phases. After 240–300 days of dissolution in NDW, the water solutions achieved the stable Ca and Ni concentrations of 0.592–0.665 and 0.073–0.290 mmol/L for the solids with lower Ni/(Ca + Ni) mol ratios (XNi), or 0.608–0.721 and 0.273–0.430 mmol/L for the solids with higher XNi, respectively. After 240–300 days of dissolution in CSW, the water solutions achieved the stable Ca and Ni concentrations of 1.094–3.738 and 0.831–4.300 mmol/L, respectively. For dissolution in NDW and CSW, the mean values of log IAP (Ion activity products) in the final stable state (≈ log Ksp, Solubility product constants) were determined to be − 8.65 ± 0.04 and − 8.16 ± 0.11 for calcite [CaCO3], respectively; − 8.50 ± 0.02 and − 7.69 ± 0.03 for the synthetical nickel carbonates [NiCO3], respectively. In respect to the bulk composition of the (Ca1−xNix)CO3 solid solutions, the final log IAP showed the highest value when XNi = 0.10–0.30. Mostly, the mean values of log IAP increased with the increasing XNi in respect to the Ni-calcite, the Ni-aragonite and the amorphous Ca-Ni carbonate. The plotting of the experimental data on the Lippmann diagram for the (Ca1−xNix)CO3 solid solution using the predicted Guggenheim parameters of a0 = 2.14 and a1 = − 0.128 from a miscibility gap of XNi = 0.238 to 0.690 indicated that the solids dissolved incongruently and the final Ca and Ni concentrations in the water solutions were simultaneously limited by the minimum stoichiometric saturation curves for the Ni-calcite, Ni-aragonite and the amorphous Ca-Ni carbonate. During dissolution in NDW, the Ni2+ preferred to dissolve into the water solution and Ca2+ preferred to remain in the solid, while during dissolution in CSW for the solids with higher XNi, the Ca2+ preferred to dissolve into the water solution and Ni2+ preferred to remain in the solid. These findings provide valuable insights into understanding the mechanisms governing Ni geochemical cycle in natural environments.

Design Strategies for High Voltage Spinel Cathode Materials to Enable Reversible Mg-Ion Intercalation

Reversible insertion of Mg2+ into metal oxide frameworks stands as a critical factor for facilitating the operation of a Mg-ion battery boasting high energy density, imperative for advancing energy storage technologies. While functional Mg-ion batteries have been achieved in frameworks featuring soft anions like S2– and Se2–, they fall short of meeting the energy density benchmarks to rival current rechargeable lithium-ion batteries due to their low insertion potentials. This underscores the need to pinpoint an oxide-based cathode capable of operating at elevated potentials. A leading theory posits that the limited availability of oxide Mg-ion cathodes stems from the sluggish diffusion kinetics of Mg2+ in oxides, attributed to robust electrostatic interactions between Mg2+ ions and oxide anions within the lattice. Consequently, it is hypothesized that rectifying these kinetic shortcomings could be achieved by tailoring an oxide framework to foster less stable Mg2+–O2– coordination.Drawing upon theoretical computations and preliminary experimental findings, oxide spinels emerge as promising candidates for cathodes, possessing storage capacity, insertion potential, and cation mobility that align with the requisites for a secondary Mg-ion battery. However, spinels featuring a single redox metal, such as MgCr2O4 or MgMn2O4, failed to exhibit adequately reversible Mg-ion intercalation at high redox potentials when paired with nonaqueous Mg-electrolytes. Consequently, a concerted effort in materials development was launched to conceive, synthesize, and assess a novel class of solid-solution oxide spinels designed to fulfill the requisite properties for a sustainable Mg-ion cathode. These materials were engineered by combining electrochemically active metals boasting stable redox potentials and charged states vis-a-vis the electrolyte, such as Mn3+, alongside a structural stabilization component, typically Cr3+. Additionally, common spinel structural defects known to compromise performance, such as antisite inversion, were managed to explore the relationship between structures and electrochemical overpotentials, thereby regulating overall hysteresis. Comprehensive structural characterization, encompassing both short- and long-range analyses in both ex-situ and in-situ settings, confirmed the nature of solid-solution and established a correlation between structural modifications and redox activity vis-a-vis electrochemical performance. Encouragingly, consistent and reproducible outcomes were noted, manifesting facile bulk Mg2+-ion activity sans phase transformations, thus bolstering energy storage capacity through reversible Mg2+ intercalation, facilitated by an understanding of the variables governing the electrochemical performance of spinel oxide. Leveraging these insights, it becomes conceivable to engineer an oxide cathode material boasting many of the desired attributes of a Li-ion intercalation cathode, marking a significant milestone in the pursuit of high energy density Mg-ion batteries.This study delineates strategies for designing and developing novel spinel oxide intercalation materials tailored for high-energy Mg-ion battery cathodes, leveraging a blend of theoretical and experimental methodologies. We discuss the key factors dictating the kinetics of Mg2+ diffusion in spinel oxides, elucidating how material complexity aligns with the electrochemical Mg2+ activity in oxides, bolstered by supplementary characterization. The insights gleaned from fundamental inquiries into cation diffusion in oxide cathodes are poised to benefit chemists and materials scientists engaged in the advancement of rechargeable batteries.Related publication: B. Kwon et al., Accounts of Chemical Research, 2024, 57, 1, 1–9 Figure 1

Biomolecule and Ion Releasing Mesoporous Nanoparticles: Nonconvergent Osteogenic and Osteo-immunogenic Performance.

Immune-involved cell communications have recently been introduced as key role players in the fate of mesenchymal stem cells in making bone tissue. In this study, a drug delivery system for bone (re)generation based on copper-doped mesoporous bioactive glass nanoparticles (BGNPs) was developed to codeliver copper as a biologically active ion and icariin as an anti-inflammatory agent. This design was based on temporal inflammation fluctuations from proinflammatory to anti-inflammatory during bone generation. Three in vitro models were performed with human mesenchymal stem cells (hMSCs) to verify the osteo-immunomodulatory effects of released copper ions and icariin: nonstimulated, co-conditioned with macrophage medium and co-cultured with macrophages. Both icariin and copper showed increased levels of alkaline phosphatase activation, indicating a direct osteogenic effect. Copper-doped BGNPs showed the highest increase of osteo-immunogenic properties in a mineralization assay and also induced short-term inflammation. However, the mineralization dropped in copper doped BGNPs after loading with icariin due to copper-icariin chelate formation and inhibition of the early inflammatory phase in the immune-stimulated in vitro models. In the absence of copper, the direct osteogenic properties of icariin overtook its osteo-immunogenic inhibition and increased calcification. Overall, BGNPs doped with 5 mol % copper and no icariin showed the highest bone-forming capacity.

A 30-Min Exposure on Permethrin and Deltamethrin Modifies Ion Transport Pathways in the Skin.

Pyrethroids are pesticides used in agriculture, the textile industry, wood processing, and human and animal medicine. Pyrethroids inhibit voltage-sensitive sodium channels (VSSCs) in insects and mammals. It results in the premature opening and/or delayed closing of the channels, causing a prolonged influx of Na+ ions into the cell. Insects absorb pyrethroids throughout the entire body surface, while poisoning in humans most often occurs by inhalation and through the skin. In this study, 52 fragments of human skin taken from the eyelid fold were examined. A modified Ussing chamber was used to measure the active ion transport in epithelial tissue and quantify the tissue viability and integrity. Both permethrin and deltamethrin solutions induced changes in the transport of ions, mainly sodium, but by different mechanisms. Permethrin affected the transepithelial transport of sodium ions in a long-term mechanism, while deltamethrin affected the ability to respond to stimuli in an immediate mechanism. Contact with deltamethrin may cause a delay/slowness of sensation, inflammation, hypersensitivity, and/or allergy. The action of permethrin takes place in the intercellular spaces and is associated with the possibility of faster decomposition/metabolism, while deltamethrin interacts with receptors, channels, and the cell membrane, which translates into slower decomposition and longer action in the tissue.

Retraction Note: Two Mn(II)-Organic Frameworks: Selective Detection of Fe3+ Ion and Treatment Activity on Alcohol-Induced Cerebellar Atrophy by Reducing ROS Accumulation in Brain

Retraction Note: Two Mn(II)-Organic Frameworks: Selective Detection of Fe3+ Ion and Treatment Activity on Alcohol-Induced Cerebellar Atrophy by Reducing ROS Accumulation in Brain

Uncovering the Potential of Two-Dimensional SrRuO3 as anode material in Li, Na, Mg, Ca, K, and Zn ion Batteries: First-Principles investigations of structural, electronic and electrochemical properties

The development of robust and efficient electrode materials is priority area in the battery research to realize large capacity, high stability, and hasty carrier mobility. In this study, first principles investigations are carried out to evaluate potential of SrRuO3 as anode material for use in rechargeable monovalent and multivalent ion batteries including Li ion batteries (LIBs), Na ion batteries (NIBs), Mg ion batteries (MIBs), Ca ion batteries (CIBs), potassium ion batteries (KIBs) and Zn ion batteries (ZIBs). The optimal anodic properties of the material are systematically examined, focusing on its structural properties, electronic characteristics, diffusion barriers, storage capabilities, and studies on adsorption sites. The layered structure of the material appeared to accommodate several atoms of different metal during charge / discharge cycles. The exothermic interactions of Li, Na, Mg, Ca, K, and Zn with the host SrRuO3 show their appropriateness for the intercalation process in the batteries. The storage capacity for the LIB, NIB, MIB, CIB, KIB, and ZIB is calculated as 1211 mAhg−1, 990 mAhg−1, 2201 mAhg−1, 1100 mAhg−1, 770 mAhg−1 and 1516 mAhg−1, respectively. The respective values of open circuit voltage are determined as 0.48 V, 0.94 V, 1.3 V, 1.15 V, 0.7 V and 1.17 V for LIB, NIB, KIB, MIB, CIB and ZIB. The minimal diffusion barrier calculated for active ion migration of Li (0.38 eV), Na (0.18 eV), K (0.35 eV), Mg (0.81 eV), Ca (0.86 eV) and Zn (0.92 eV) in the host material indicate excellent transport character for the batteries. The low values of volume expansion (%) of the host material calculated as 1.29 %, 30 %, 25 %, 5 %, 12 % and 7 % for LIB, MIB, KIB, NIB, CIB and ZIB respectively, point to good cyclic stability. Furthermore, non-equilibrium Greens function approach was employed to examine electron transport characteristics involved in solid electrolyte interphase (SEI) formation. The findings of the study predict the excellent anodic performance of SrRuO3 for multivalent ion batteries.