Search

The SPECTRA code has been developed as an integrated safety analysis tool for comprehensive analyses of in- and ex-vessel phenomena during a severe accident (SA) in a sodium-cooled fast reactor (SFR). The individual modules, such as sodium fire and sodium-concrete reaction, have been implemented into SPECTRA to simulate specific phenomena in an accident of SFRs. However, SPECTRA has no capability for the overlapped event involving sodium fire and sodium-concrete reaction in the same compartment because the sodium pool and the floor concrete are modeled in each module independently. The capability of SPECTRA is enhanced by integrating the analyses of sodium pool fire and concrete ablation for overlapped events of the ex-vessel phenomena. A new shared module for the sodium pool and floor concrete region, named “PFC module” was introduced in the previous study. The sodium fire module is connected to the PFC module in this study. The integrated model is validated through the benchmark analysis of the F7-1 pool fire experiment. The calculation results of the temperature and combustion rate show good agreement with the experimental result. A demonstration analysis is also conducted for an overlapped event of the ex-vessel phenomena including both concrete ablation and sodium pool fire. SPECTRA can simulate a reasonable heat and mass transfer behavior during the overlapped event.

Molecular dynamics (MD) simulations are conducted to assess pristine graphenylene membranes' effectiveness in seawater desalination, explicitly focusing on their salt rejection and water permeability capabilities. This study investigates the potential of the graphenylene for separation of the Na + as monovalent cation, in order to evaluate its further application for separation of the other type of contaminants. To this end, the pristine graphenylene nanosheet is introduced into the simulation box which included the water molecules, sodium and chlorine ions. Subsequently, MD simulations were conducted by applying different amounts of external pressures in which the temperature changes are investigated as another effective parameter in water permeability and salt rejection properties. Furthermore, the water density map, radial distribution functions, and water density elucidate the performance of the considered membrane in the presence of water molecules, Na + ions, and Cl - ions. The optimum performance of the pristine graphenylene for seawater desalination is achieved at P = 400 MPa and T = 298 K that results in the water flux of 2920 L/m 2  h bar and 98.8 % salt rejection. The pristine graphenylene nanosheet shows significant potential in effectively separating salt ions, which has elucidated its importance and subsequently, the functionalized membrane for this application., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Selecting an appropriate anode material (AM) has been considered to be a crucial initial step in advancing high-performance batteries. Within this piece of research, we examine the suitability of the BC 6 NA monolayer (referred to as BC 6 NAML) as an AM by first-principles calculations. The BC 6 NAML exhibits metallic behavior consistently, even with varying concentrations of Na atoms, making it an ideal choice for battery usages. Our findings revealed that the theoretical storage capacity for Na-adhered BC 6 NAML was 406.36 mAhg -1 , surpassing graphite, TiO 2 , BC 6 NA, and numerous other 2D materials. The BC 6 NAML also demonstrates a diffusion barrier of 0.39 eV and favorable diffusivity of Na-ions. Although the open-circuit voltage (OCV) of BC6NAML was temperate and lower compared to the OCV of other AMs like TiO 2 , our results suggested that it is possible to utilize BC 6 NAML as one of the encouraging host materials for sodium-ion batteries (SIBs). Consequently, this investigation into the potential anodic application of BC 6 NAML proves valuable for future experimental studies into sodium storage for SIBs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

In this work, we analyzed the electrophoretic behavior of a double crossover (DX) DNA motif in various counter ions. The influence of the type and concentration of counter ions on electrophoretic behavior is different for the DX motif compared to a duplex of the same molecular weight. Higher concentrations of divalent ions Mg 2+ and Ca 2+ in the gel and running buffer reduce the electrophoretic migration of the DX motif. This effect is less pronounced in the monovalent ion Na + while K + ion did not have any significant effect on the electrophoretic behavior.

The thermal stabilities of DNA duplexes analogous to the let-7 microRNA: lin-41 mRNA complex from Caenorhabditis elegans have been measured by free solution capillary electrophoresis. DNA duplexes with the same stems but different types of internal or bulge loops and a control with no loop have also been studied. The melting temperatures of the DNA derivatives increased linearly with the logarithm of the Na + or K + ion concentration in the solution. Peaks in the electropherograms corresponding to duplexes with internal or bulge loops exhibited extensive tailing at high temperatures, suggesting that denaturation occurred by slow exchange between the duplexes and their component single strands. The single strands did not separate completely from the duplexes in aqueous solutions; instead, they appeared as small subpeaks on the tails of the duplex peaks. However, complete separation of the duplexes from their component single strands was observed at 20 °C in solutions containing 300 mM tetrapropylammonium ions. In addition, counterion condensation appears to be significantly reduced in DNA duplexes containing internal or bulge loops.

The ion atmosphere surrounding highly charged biomolecules, such as nucleic acids, is crucial for their dynamics, structure, and interactions. Here, we develop an approach for the explicit treatment of ions within an implicit solvent framework suitable for atomistic simulations of biomolecules. The proposed implicit solvent/explicit ions model, GBION, is based on a modified generalized Born (GB) model; it includes separate, modified GB terms for solute-ion and ion-ion interactions. The model is implemented in the AMBER package (version 24), and its performance is thoroughly investigated in atomistic molecular dynamics (MD) simulations of double-stranded DNA on a microsecond time scale. The aggregate characteristics of monovalent (Na + and K + ) and trivalent (Cobalt Hexammine, CoHex 3+ ) counterion distributions around double-stranded DNA predicted by the model are in reasonable agreement with the experiment (where available), all-atom explicit water MD simulations, and the expectation from the Manning condensation theory. The radial distributions of monovalent cations around DNA are reasonably close to the ones obtained using the explicit water model: expressed in units of energy, the maximum deviations of local ion concentrations from the explicit solvent reference are within 1 k B T , comparable to the corresponding deviations expected between different established explicit water models. The proposed GBION model is able to simulate DNA fragments in a large volume of solvent with explicit ions with little additional computational overhead compared with the fully implicit GB treatment of ions. Ions simulated using the developed model explore conformational space at least 2 orders of magnitude faster than in the explicit solvent. These advantages allowed us to observe and explore an unexpected "stacking" mode of DNA condensation in the presence of trivalent counterions (CoHex 3+ ) that was revealed by recent experiments.

Purpose: To develop a new sequence to simultaneously acquire Cartesian sodium ( 23 Na) MRI and accelerated Cartesian single (SQ) and triple quantum (TQ) sodium MRI of in vivo human brain at 7 T by leveraging two dedicated low-rank reconstruction frameworks., Theory and Methods: The Double Half-Echo technique enables short echo time Cartesian 23 Na MRI and acquires two k-space halves, reconstructed by a low-rank coupling constraint. Additionally, three-dimensional (3D) 23 Na Multi-Quantum Coherences (MQC) MRI requires multi-echo sampling paired with phase-cycling, exhibiting a redundant multidimensional space. Simultaneous Autocalibrating and k-Space Estimation (SAKE) were used to reconstruct highly undersampled 23 Na MQC MRI. Reconstruction performance was assessed against five-dimensional (5D) CS, evaluating structural similarity index (SSIM), root mean squared error (RMSE), signal-to-noise ratio (SNR), and quantification of tissue sodium concentration and TQ/SQ ratio in silico, in vitro, and in vivo., Results: The proposed sequence enabled the simultaneous acquisition of fully sampled 23 Na MRI while leveraging prospective undersampling for 23 Na MQC MRI. SAKE improved TQ image reconstruction regarding SSIM by 6% and reduced RMSE by 35% compared to 5D CS in vivo. Thanks to prospective undersampling, the spatial resolution of 23 Na MQC MRI was enhanced from 8 × 8 × 15 $$ 8\times 8\times 15 $$ mm 3 to 8 × 8 × 8 $$ 8\times 8\times 8 $$ mm 3 while reducing acquisition time from 2 × 31 $$ 2\times 31 $$ min to 2 × 23 $$ 2\times 23 $$ min., Conclusion: The proposed sequence, coupled with low-rank reconstructions, provides an efficient framework for comprehensive whole-brain sodium MRI, combining TSC, T2*, and TQ/SQ ratio estimations. Additionally, low-rank matrix completion enables the reconstruction of highly undersampled 23 Na MQC MRI, allowing for accelerated acquisition or enhanced spatial resolution., (© 2024 The Authors. Magnetic Resonance in Medicine published by Wiley Periodicals LLC on behalf of International Society for Magnetic Resonance in Medicine.)

While the pH cross-sensitivity of chromoionophore-based ion-selective optodes (ISOs) has often been regarded as a significant limitation, this paper demonstrates how this apparent drawback can be transformed into a beneficial feature. The response range of chromoionophore-based ISOs shifts proportionally with changes in the sample pH. Thus, integrating them with a stable pH gradient across the optode surface, such as those provided by immobilized pH gradient (IPG) gels, allows for significant enhancement of the effective measuring range of chromoionophore-based ISOs while preserving their maximum sensitivity. We show that the measuring range of sodium-selective chromoionophore-based optodes can be increased up to 2.5 log units when used with commercially available IPG gels. This improvement in measuring range is directly correlated with the pH difference in the pH gradient across the optode, suggesting that even greater enhancements are possible with more substantial pH gradients. Furthermore, this approach is not confined to sodium-selective optodes but can be readily adapted to other ion-selective chromoionophore-based optodes, broadening their potential applications and impact in the field of chemical sensing. This work paves the way for the development of more versatile and highly sensitive optodes across a broad range of analytes, leveraging the pH cross-sensitivity as a tool for enhanced performance.

MiR-155 is a multifunctional microRNA involved in many biological processes. Since miR-155 is overexpressed in several pathologies, its detection deserves high interest in clinical diagnostics. Biosensing approaches often exploit the hybridization of miR-155 with its complementary strand. Molecular Dynamics (MD) simulations were applied to investigate the complex formed by miR-155 and its complementary strand in aqueous solution with Na + and Cl - ions at ionic strengths in the 100-400 mM range, conditions commonly used in biosensing experiments. We found that the main structural properties of the duplex are preserved at all the investigated ionic strengths. The radial distribution functions of both Na + and Cl - ions around the duplex show deviation from those of bulk with peaks whose relative intensity depends on the ionic strength. The number of ions monitored as a function of the distance from the duplex reveals a behavior reminiscent of the counterion condensation near the duplex surface. The occurrence of such a phenomenon could affect the Debye length with possible effects on the sensitivity in biosensing experiments.

Nitrogen, phosphorus and potassium are essential for crop growth, which are abundant in urine. Although numerous studies have developed techniques to recover ammonium and phosphorus from urine, limited research made efforts on the recovery of potassium, which is a non-renewable resource with uneven global distribution. In this study, we explored the possibility of zeolite based mixed matrix membranes (MMMs) to selectively recover ammonium and potassium from urine, with minimal detention of sodium. The findings demonstrated that upon the pre-treatment of zeolites with sodium chloride solution, a 70 wt% zeolite loaded MMM could achieve 69.3 % recovery of potassium and almost full recovery of ammonium. By varying the desorption temperatures and MMMs production process, it was discovered that stepwise backwash at low temperature (276 K) greatly lowered sodium recovery whilst simultaneously enhancing the recovery of potassium and ammonium. This study demonstrates the potential of recovering potassium and ammonium from urine using zeolite-loaded MMMs, coupled with achieving low-sodium recovery., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier Ltd.)

With the increasing demand for Li, the recovery of Li from solid waste, such as Li-containing Al electrolytes, is receiving growing attention. However, Li-containing Al electrolytes often contain large amounts of F, leading to environmental pollution. Herein, a new method for preparing water-soluble Li salt from waste Li-containing Al electrolytes with high F and Na contents is proposed based on CaO roasting and water leaching. The effects of different roasting and leaching conditions on the Li leaching efficiency and reaction pathway were systematically investigated. Under the optimum processing conditions, the Li leaching efficiency reached 98%, while those of Na and F were 98.41% and 0.24%, respectively. Phase evolution analysis showed that the addition of CaO promoted the conversion of LiF and Na 2 LiAlF 6 to Li 2 O, whereas F entered the slag phase as CaF 2 , which could be reused as a raw material for steel refinement. Overall, this study proposes an efficient and environmentally friendly method for the treatment and resource utilization of waste Al electrolytes with high F and Na contents., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier Ltd.)

Saline-alkali soils have poor N storage capacity, high N loss and inadequate nutrient supply potential, which are the main limiting factors for crop yields. Vermicompost can increase organic nutrient content, improve soil structure, and enhance microbial activity and function, and the Ca 2+ in flue gas desulfurization (FGD) gypsum can replace Na + and neutralize alkalinity in saline-alkali soils though chemical improvement. This study aimed to determine if vermicompost and FGD gypsum addition could improve the N storage capacity through decreasing NH 3 volatilization and 15 N/NO 3 - leaching from saline-alkali soils. The results indicate that the combined application of vermicompost and FGD gypsum led to the displacement and leaching Na + in the upper soil layer (0-10 cm), as well as the neutralization of HCO 3 - by the reaction with Ca 2+ . This treatment also improved soil organic matter content and macroaggregate structure. Also, these amendments significantly increased the abundance of nifH and amoA genes, while concurrently decreasing the abundance of nirK gene. The structural improvements and the lowering of Na  +  concentration in and alkalinity decreased cumulative NH 3 volatilization, and leaching of 15 N and NO 3 - to the deep soil layer (20-30 cm). FGD gypsum increased the 15 N stocks and inorganic N stocks of saline-alkali soil, whereas vermicompost not only increased the 15 N and inorganic N stocks, but also increased the total N stocks, the combination of vermicompost and FGD gypsum can not only increase the available N storage capacity, but also enhance the potential for N supply. Therefore, vermicompost and FGD gypsum decrease N loss and increase N storage capacity through structural improvement, and lowering of Na + concentration and alkalinity, which is crucial for improving the productivity of saline-alkali soil., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Purpose: Sodium triple quantum (TQ) signal has been shown to be a valuable biomarker for cell viability. Despite its clinical potential, application of Sodium TQ signal is hindered by complex pulse sequences with long scan times. This study proposes a method to approximate the TQ signal using a single excitation pulse without phase cycling., Methods: The proposed method is based on a single excitation pulse and a comparison of the free induction decay (FID) with the integral of the FID combined with a shifting reconstruction window. The TQ signal is calculated from this FID only. As a proof of concept, the method was also combined with a multi-echo UTE imaging sequence on a 9.4 T preclinical MRI scanner for the possibility of fast TQ MRI., Results: The extracted Sodium TQ signals of single-pulse and spin echo FIDs were in close agreement with theory and TQ measurement by traditional three-pulse sequence (TQ time proportional phase increment [TQTPPI)]. For 2%, 4%, and 6% agar samples, the absolute deviations of the maximum TQ signals between SE and theoretical (time proportional phase increment TQTPPI) TQ signals were less than 1.2% (2.4%), and relative deviations were less than 4.6% (6.8%). The impact of multi-compartment systems and noise on the accuracy of the TQ signal was small for simulated data. The systematic error was <3.4% for a single quantum (SQ) SNR of 5 and at maximum <2.5% for a multi-compartment system. The method also showed the potential of fast in vivo SQ and TQ imaging., Conclusion: Simultaneous SQ and TQ MRI using only a single-pulse sequence and SQ time efficiency has been demonstrated. This may leverage the full potential of the Sodium TQ signal in clinical applications., (© 2024 The Authors. Magnetic Resonance in Medicine published by Wiley Periodicals LLC on behalf of International Society for Magnetic Resonance in Medicine.)

NaCl is the main curing agent in dry-cured meat products, and a large amount of NaCl addition leads to high salt content of final products. Salt content and composition are important factors affecting the activity of endogenous proteases, which in turn could affect proteolysis as well as the quality of dry-cured meat products. With the increasing emphasis on the relationship between diet and health, reducing sodium content without sacrificing quality and safety of products is a great challenge for dry-cured meat industry. In this review, the change of endogenous proteases activity during processing, the potential relationship between sodium reduction strategy, endogenous proteases activity, and quality were summarized and discussed. The results showed that sodium replacement strategy and mediated-curing had a complementary advantage in influencing endogenous proteases activity. In addition, mediated-curing had the potential to salvage the negative effects of sodium substitution by affecting endogenous proteases. Based on the results, a sodium reduction strategy that sodium replacement in conjunction with mediated-curing based on endogenous proteases was proposed for the future perspective.

Hydrogen energy has attracted a lot of interest from researchers as a sustainable and renewable energy source, but there are some technical challenges related to its storage. Hydride materials demonstrate the ability to store hydrogen adequately and safely. In the current study, we have investigated the structural and optoelectronic properties of the XCuH 3 (where X = Li, Na and K) perovskite-type hydride using LDA and GGA formalisms for hydrogen storage application. Electronic properties such as band structure, density of states reveal the metallic character of the studied XCuH 3 hydrides. Various optical parameters such as the complex dielectric function, refractive index, extinction coefficient, absorption coefficient, reflectivity, optical conductivity, energy loss function, and joint density of states have been computed and compared. The gravimetric hydrogen storage capacity for LiCuH 3 , NaCuH 3 and KCuH 3 are found to be 4.11, 3.37 and 2.86 wt%, respectively. The computed values of the gravimetric ratio manifest that XCuH 3 hydrides are potential candidates for hydrogen storage applications. These calculations are made for the first time for XCuH 3 hydrides and will be inspirational in the future for comparison and for hydrogen storage purposes., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

The aim of this study was to investigate the distribution pattern and migration pathway of sodium ion in the myofibrillar protein (MP) gel matrix during microwave heating. The results showed that the content of sodium ions in the outer layer of MP gel increased by 47.85% compared with that in the inner layer. In the inner layer of protein gel, the non-covalent disulfide bonds (mainly ε(γ-Glu)-Lys) increased (P < 0.05), which contributed to the formation of a better rigid structure of the protein. The free water content was significantly higher than that of the inner layer (P < 0.05), which was related to the higher mobility of sodium ions. The results of microstructure analysis showed that the outer layer of the MP gel formed a more porous network than the inner layer. This work is expected to give some insights into the development of promising salt-reduced meat products by microwave heating., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier Ltd.)

A series of sodium phosphorothioate complexes are shown to have electrochemical properties attractive for sodium-sulfur battery applications across a wide operating temperature range. As cathode materials, they resolve a long-standing issue of cyclic liquid-solid phase transition that causes sluggish reaction kinetics and poor cycling stability in conventional, room-temperature sodium-sulfur batteries. The cathode chemistry yields 80% cyclic retention after 400 cycles at room temperature and a superior lowtemperature performance down to 260 °C. Coupled experimental characterization and density functional theory calculations revealed the complex structures and electrochemical reaction mechanisms. The desirable electrochemical properties are attributed to the ability of the complexes to prevent the formation of solid precipitates over a fairly wide range of voltage. [ABSTRACT FROM AUTHOR]

A Schiff base in the retinal chromophore of microbial rhodopsin is crucial to its ion transport mechanism. Here, we discovered an unprecedented isotope effect on the C═N stretching frequency of the Schiff base in sodium ion-pumping rhodopsins, showing an unusual interaction of the Schiff base. No amino acid residue attributable to the unprecedented isotope effect was identified, suggesting that the H-O-H bending vibration of a water molecule near the Schiff base was coupled with the C═N stretching vibration. A twist in the polyene chain in the chromophore for the sodium ion-pumping rhodopsins enabled this unusual interaction of the Schiff base. The present discovery provides new insights into the interaction network of the retinal chromophore in microbial rhodopsins.

High-affinity ligand peptides for ion channels are essential for controlling the flow of ions across the plasma membrane. These peptides are now being investigated as possible therapeutic possibilities for a variety of illnesses, including cancer and cardiovascular disease. So, the identification and interpretation of ligand peptide inhibitors to control ion flow across cells become pivotal for exploration. In this work, we developed an ensemble-based model, NaII-Pred, for the identification of sodium ion inhibitors. The ensemble model was trained, tested, and evaluated on three different datasets. The NaII-Pred method employs six different descriptors and a hybrid feature set in conjunction with five conventional machine learning classifiers to create 35 baseline models. Through an ensemble approach, the top five baseline models trained on the hybrid feature set were integrated to yield the final predictive model, NaII-Pred. Our proposed model, NaII-Pred, outperforms the baseline models and the current predictors on both datasets. We believe NaII-Pred will play a critical role in screening and identifying potential sodium ion inhibitors and will be an invaluable tool., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Metal ions, including biologically prevalent sodium ions, can modulate electrostatic interactions frequently involved in the stability of condensed compartments in cells. Quantitative characterization of heterogeneous ion dynamics inside biomolecular condensates demands new experimental approaches. Here we develop a 23 Na NMR relaxation-based integrative approach to probe dynamics of sodium ions inside agarose gels as a model system. We exploit the electric quadrupole moment of spin-3/2 23 Na nuclei and, through combination of single-quantum and triple-quantum-filtered 23 Na NMR relaxation methods, disentangle the relaxation contribution of different populations of sodium ions inside gels. Three populations of sodium ions are identified: a population with bi-exponential relaxation representing ions within the slow motion regime and two populations with mono-exponential relaxation but at different rates. Our study demonstrates the dynamical heterogeneity of sodium ions inside agarose gels and presents a new experimental approach for monitoring dynamics of sodium and other spin-3/2 ions (e.g. chloride) in condensed environments., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier Inc. All rights reserved.)

Artificial spiking neurons capable of interpreting ionic information into electrical spikes are critical to mimic biological signaling systems. Mott memristors are attractive for constructing artificial spiking neurons due to their simple structure, low energy consumption, and rich neural dynamics. However, challenges remain in achieving ion-mediated spiking and biohybrid-interfacing in Mott neurons. Here, a biomimetic spiking chemical neuron (SCN) utilizing an NbO x Mott memristor and oxide field-effect transistor-type chemical sensor is introduced. The SCN exhibits both excitation and inhibition spiking behaviors toward ionic concentrations akin to biological neural systems. It demonstrates spiking responses across physiological and pathological Na + concentrations (1-200 × 10 -3 m). The Na + -mediated SCN enables both frequency encoding and time-to-first-spike coding schemes, illustrating the rich neural dynamics of Mott neuron. In addition, the SCN interfaced with L929 cells facilitates real-time modulation of ion-mediated spiking under both normal and salty cellular microenvironments., (© 2024 Wiley‐VCH GmbH.)

Understanding the interplay among salt ions, anthocyanin and starch within food matrices under thermal conditions is important for the development of starch-based foods with demanded quality attributes. However, how salt ions presence influences the microstructure and properties of starch/anthocyanin binary system remains largely unclear. Herein, indica rice starch (IRS) and rice anthocyanin (RA) were used to construct an IRS-RA binary system, with thermal treatment under different concentrations of Na + (10-40 mM) and types of salt ions (Na + and Ca 2+ ). The incorporation of salt ions induced the formation of a porous gel matrix, and destroyed the hydrogen bond between starch and anthocyanin through electrostatic interactions, reducing the storage modulus and radius of gyration of the binary system, and increasing the relative crystallinity (from 1.08 % to 1.51 % (20 mM Na + ) and 1.69 % (20 mM Ca + )) of the IRS-RA binary system at 90 °C. Also, the DPPH radical scavenging ability of the binary system at 90 °C was enhanced upon incorporating salt ions (0.93 for Na + condition and 0.94 for Ca 2+ condition at 20 mM ion concentration). It is noteworthy that Ca 2+ inclusion had more significant effects than the case for Na + presence, presumably due to the increased charge density., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier B.V.)

The noradrenaline transporter (also known as norepinephrine transporter) (NET) has a critical role in terminating noradrenergic transmission by utilizing sodium and chloride gradients to drive the reuptake of noradrenaline (also known as norepinephrine) into presynaptic neurons 1-3 . It is a pharmacological target for various antidepressants and analgesic drugs 4,5 . Despite decades of research, its structure and the molecular mechanisms underpinning noradrenaline transport, coupling to ion gradients and non-competitive inhibition remain unknown. Here we present high-resolution complex structures of NET in two fundamental conformations: in the apo state, and bound to the substrate noradrenaline, an analogue of the χ-conotoxin MrlA (χ-MrlA EM ), bupropion or ziprasidone. The noradrenaline-bound structure clearly demonstrates the binding modes of noradrenaline. The coordination of Na + and Cl - undergoes notable alterations during conformational changes. Analysis of the structure of NET bound to χ-MrlA EM provides insight into how conotoxin binds allosterically and inhibits NET. Additionally, bupropion and ziprasidone stabilize NET in its inward-facing state, but they have distinct binding pockets. These structures define the mechanisms governing neurotransmitter transport and non-competitive inhibition in NET, providing a blueprint for future drug design., (© 2024. The Author(s), under exclusive licence to Springer Nature Limited.)

The dopamine transporter (DAT) is crucial for regulating dopamine signalling and is the prime mediator for the rewarding and addictive effects of cocaine 1 . As part of the neurotransmitter sodium symporter family, DAT uses the Na + gradient across cell membranes to transport dopamine against its chemical gradient 2 . The transport mechanism involves both intra- and extracellular gates that control substrate access to a central site. However, the molecular intricacies of this process and the inhibitory mechanism of cocaine have remained unclear. Here, we present the molecular structure of human DAT in complex with cocaine at a resolution of 2.66 Å. Our findings reveal that DAT adopts the expected LeuT-fold, posing in an outward-open conformation with cocaine bound at the central (S1) site. Notably, while an Na + occupies the second Na + site (Na2), the Na1 site seems to be vacant, with the side chain of Asn82 occupying the presumed Na + space. This structural insight elucidates the mechanism for the cocaine inhibition of human DAT and deepens our understanding of neurotransmitter transport. By shedding light on the molecular underpinnings of how cocaine acts, our study lays a foundation for the development of targeted medications to combat addiction., (© 2024. The Author(s), under exclusive licence to Springer Nature Limited.)

Sodium ions and protons regulate various fundamental processes at the cell and tissue levels across all biological kingdoms. It is therefore pivotal for bioelectronic devices, such as biosensors and biotransducers, to control the transport of these ions through biological membranes. Our study explores the regulation of proton and sodium concentrations by integrating an Na + -type ATP synthase, a glucose dehydrogenase (GDH), and a urease into a multienzyme logic system. This system is designed to operate using various chemical control input signals, while the output current corresponds to the local change in proton or sodium concentrations. Therein, a H + and Na + biotransducer was integrated to fulfill the roles of signal transducers for the monitoring and simultaneous control of Na + and H + levels, respectively. To increase the proton concentration at the output, we utilized GDH driven by the inputs of glucose and nicotinamide adenine dinucleotide (NAD + ), while recorded the signal change from the biotransducer, together acting as an AND enzyme logic gate. On the contrary, we introduced urease enzyme which hydrolyzed urea to control the decrease in proton concentration, serving as a NOT gate and reset. By integrating these two enzyme logic gates we formed a simple multienzyme logic system for the control of proton concentrations. Furthermore, we also demonstrate a more complex, Na + -type ATP synthase-urease multienzyme logic system, controlled by the two different inputs of ADP and urea. By monitoring the voltage of the peak current as the output signal, this logic system acts as an AND enzyme logic gate. This study explores how multienzyme logic systems can modulate biologically important ion concentrations, opening the door toward advanced biological on-demand control of a variety of bioelectronic enzyme-based devices, such as biosensors and biotransducers.

The new water-soluble di-anionic bi-sodium salt of tetracycline (TC), an antibiotic in clinical use, with the formula {[TC] 2- [Na + (MeOH)(H 2 O)] [Na + ]·(H 2 O)} n (TCNa) was synthesized. The compound was characterized by m.p., attenuated total reflectance-Fourier transform infra-red (ATR-FTIR) spectroscopy, and ultraviolet (UV) and proton nuclear magnetic resonance ( 1 H NMR) spectroscopy in the solid state and in solution. The molecular weight (MW) was determined by cryoscopy. The crystal structure of TCNa was also determined by X-ray crystallography. The antibacterial activity of TCNa was evaluated against the bacterial species Pseudomonas aeruginosa ( P. aeruginosa ), Escherichia coli ( E. coli ), Staphylococcus epidermidis ( S. epidermidis ) and Staphylococcus aureus ( S. aureus ) by means of minimum inhibitory concentration (MIC), minimum bactericidal concentration (MBC) and inhibition zones (IZs). Moreover, the ability of the compound to eradicate biofilm formation was also evaluated. The results are compared with those obtained for the commercially available drug TCH2. The in vitro and in vivo toxicities of TCNa were tested against human corneal epithelial cells (HCECs) and Artemia salina .

In the present study, we have prepared six glass samples of bismuth borate using the melt-quenching method with the composition (70-x)B2O3-10CaO-20Na2O-xBi2O3; x = 0, 3, 6, 9, 12 and 15 mol%. The density of the prepared glasses was determined using Archimedes principle. The X-ray diffraction patterns provide confirmation of the amorphous nature of the prepared samples, whereas the Fourier transform infrared measurements pointed to the existence of structural units like BO3, BO4, BiO3 and BiO6 within the glass network. An assessment of the optical absorption spectra unveiled that with the increase in the bismuth oxide content, there was a decrease observed in both the direct and indirect band gap energies. Specifically, they decreased from 3.40 to 2.79 eV and from 3.10 to 2.46 eV, respectively. The properties related to gamma ray attenuation, including the mass attenuation coefficient (μm), effective atomic number (Zeff), half-value layer (HVL) and mean free path (MFP), were examined for all the glass samples. This investigation was carried out using the Phy-X/PSD software, covering the energy range from 0.511 to 1.332 MeV. Out of all the samples, Bi-15, featuring the highest Bi2O3 content, demonstrated the highest μm, Zeff, the smallest HVL and MFP. These results suggest that the glass with 15 mol% of Bi2O3 offers the most effective gamma radiation shielding performance. Moreover, the glasses examined in this study exhibit superior radiation shielding characteristics compared with specific concrete types, namely, ordinary concrete, Hematite serpentine concrete and barite concrete, as well as commercial glasses such as RS-360 and RS-253., (© The Author(s) 2024. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.)

Red mud is a highly alkaline solid waste discharged from the alumina industry, and its high sodium content is the key factor limiting its wide utilization. Therefore, effective control of the "frosting" phenomenon during the application of red mud has received significant attention. In this study, the changes of particle size, phase, morphology, and pore size of red mud after sodium removal with different amounts of citric acid pretreatment were investigated. The single-factor experiment shows that the Na + leaching rate is 86.33% under a citric acid dosage of 15%, liquid-to-solid ratio of 7 mL/g, leaching temperature of 80 °C, stirring speed of 300 rpm, and leaching time of 10 min. The leachate is characterized through X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. The results reveal that Na + mainly exists in a combined state in the form of cancrinite. With the increase of citric acid dosage, red mud agglomerates, calcite, and cancrinite are dissolved, and new phases such as calcium oxalate and magnesium aluminum hydroxide are formed. The specific surface area, pore volume, and pore diameter show irregular changes with the increase in the citric acid dosage. Citric acid pretreatment can effectively reduce the sodium content in red mud, the treatment cost of leaching solution is low, and the leaching residue is neutral, which is helpful to promote the practical application of red mud., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

In this paper, we have performed an all-atom molecular dynamics simulation to understand the structure and dynamics of Na + ions in water mixed Ionic liquids (Water in Ionic liquid). Two ionic liquid (IL) systems consist of (1) 1-butyl-3-methylimidazolium [BMIM] tetrafluoroborate [BF 4 ] and (2) 1-butyl-3-methylimidazolium [BMIM] hexafluorophosphate [PF 6 ] were considered in this work. We understand various inter - molecular structures and dynamic and thermodynamic behaviours of Na + ions in the water - mixed IL systems. The water (H 2 O) mole fractions (x) varied from 0.33 to 0.71. The neat ILs [BMIM][BF 4 ] and [BMIM][PF 6 ] pairwise radial distribution functions show a decrease with an increase in x. The [BMIM][PF 6 ] exhibits a strong coordination structure with Na + ions across the entire range of x values. The rdf between the pairs of Na + -[PF 6 ] presents a significant interaction compared to Na + and [BF 4 ]. The Na  +  ions manifested greater coordination with H 2 O In H 2 O-[BMIM][PF 6 ] compared to H 2 O-[BMIM][BF 4 ]. The self-diffusion coefficient (D) values of Na  +  ions increase with the rise in x in both ILs. The D values of Na  +  ions are 10-fold higher in [BMIM][BF 4 ] than [BMIM][PF 6 ]. The ionic conductivity values are higher for [BMIM][BF 4 ]. Overall, this paper unveils molecular-level insights for understanding the behavior of Na + ions in the water in ionic liquid systems., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Salmonella enterica serovar Typhimurium melibiose permease (MelB St ) is a prototype of the major facilitator superfamily (MFS) transporters, which play important roles in human health and diseases. MelB St catalyzed the symport of galactosides with Na + , Li + , or H + but prefers the coupling with Na + . Previously, we determined the structures of the inward- and outward-facing conformation of MelB St and the molecular recognition for galactoside and Na + . However, the molecular mechanisms for H + - and Na + -coupled symport remain poorly understood. In this study, we solved two x-ray crystal structures of MelB St , the cation-binding site mutants D59C at an unliganded apo-state and D55C at a ligand-bound state, and both structures display the outward-facing conformations virtually identical as published. We determined the energetic contributions of three major Na + -binding residues for the selection of Na + and H + by free energy simulations. Transport assays showed that the D55C mutant converted MelB St to a solely H + -coupled symporter, and together with the free-energy perturbation calculation, Asp59 is affirmed to be the sole protonation site of MelB St . Unexpectedly, the H + -coupled melibiose transport exhibited poor activities at greater bulky ΔpH and better activities at reversal ΔpH, supporting the novel theory of transmembrane-electrostatically localized protons and the associated membrane potential as the primary driving force for the H + -coupled symport mediated by MelB St . This integrated study of crystal structure, bioenergetics, and free energy simulations, demonstrated the distinct roles of the major binding residues in the cation-binding pocket of MelB St ., Competing Interests: Conflict of interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.)

The guanine-rich telomeric repeats can form G-quadruplexes (G4s) that alter the accessibility of the single-stranded telomeric overhang. In this study, we investigated the effects of Na + and K + on G4 folding and accessibility through cation introduction and exchange. We combined differential scanning calorimetry (DSC), circular dichroism (CD), and single molecule Förster resonance energy transfer (smFRET) to monitor the stability, conformational dynamics, and complementary strand binding accessibility of G4 formed by single-stranded telomeric DNA. Our data showed that G4 formed through heating and slow cooling in K + solution exhibited fewer conformational dynamics than G4 formed in Na + solution, which is consistent with the higher thermal stability of G4 in K + . Monitoring cation exchange with real time smFRET at room temperature shows that Na + and K + can replace each other in G4. When encountering high K + at room or body temperature, G4 undergoes a slow conformational rearrangement process which is mostly complete by 2 h. The slow conformational rearrangement ends with a stable G4 that is unable to be unfolded by a complementary strand. This study provides new insights into the accessibility of G4 forming sequences at different time points after introduction to a high K + environment in cells, which may affect how the nascent telomeric overhang interacts with proteins and telomerase.

Pollution from harmful heavy metal ions such as Pb(II) and Cu(II) is causing serious environmental and health problems. In this study, Sodium and nitrogen co-doped porous carbon material (Na/NABc) was successfully prepared from seaweed, sodium hydroxide, and dicyandiamide. The experimental results showed that Na/NABc is an excellent adsorbent for the effective removal of Pb(II) and Cu(II) from water bodies. Specifically, 99.8% of Pb(II) and 64.6% Cu(II) (100 mg/L) were removed within 12 h using 10 mg Na/NABc(10%) at 25 °C. The adsorption of Pb(II) and Cu(II) in aqueous solution by Na/NABc(10%) was efficient and rapid in the first stage. The theoretical maximum removal capacities of Na/NABc for Pb(II) and Cu(II) were 959.6 and 299.1 mg/g, respectively. Pb(II) and Cu(II) ions were adsorbed quickly in the first 60 min, and the kinetics data were generally consistent with a pseudo-second-order model. Na/NABc(10%) had a large distribution coefficient for Pb(II) (8.38 L/mg) and Cu(II) (1.17 L/mg). The possible mechanisms were precipitation, Ion exchange, and surface complexation. The removal rate can reach about 70% after five cycles, and the release of sodium meets the standard. The results of this study demonstrate the potential applicability of Na/NABc(10%) for adsorption of heavy metals from aqueous solution., (© 2024 Wiley-VCH GmbH.)

The Organic Cation Transporter Novel 1 (OCTN1), also known as SLC22A4, is widely expressed in various human tissues, and involved in numerous physiological and pathological processes remains. It facilitates the transport of organic cations, zwitterions, with selectivity for positively charged solutes. Ergothioneine, an antioxidant compound, and acetylcholine (Ach) are among its substrates. Given the lack of experimentally solved structures of this protein, this study aimed at generating a reliable 3D model of OCTN1 to shed light on its substrate-binding preferences and the role of sodium in substrate recognition and transport. A chimeric model was built by grafting the large extracellular loop 1 (EL1) from an AlphaFold-generated model onto a homology model. Molecular dynamics simulations revealed domain-specific mobility, with EL1 exhibiting the highest impact on overall stability. Molecular docking simulations identified cytarabine and verapamil as highest affinity ligands, consistent with their known inhibitory effects on OCTN1. Furthermore, MM/GBSA analysis allowed the categorization of substrates into weak, good, and strong binders, with molecular weight strongly correlating with binding affinity to the recognition site. Key recognition residues, including Tyr211, Glu381, and Arg469, were identified through interaction analysis. Ach demonstrated a low interaction energy, supporting the hypothesis of its one-directional transport towards to outside of the membrane. Regarding the role of sodium, our model suggested the involvement of Glu381 in sodium binding. Molecular dynamics simulations of systems at increasing levels of Na+ concentrations revealed increased sodium occupancy around Glu381, supporting experimental data associating Na+ concentration to molecule transport. In conclusion, this study provides valuable insights into the 3D structure of OCTN1, its substrate-binding preferences, and the role of sodium in the recognition. These findings contribute to the understanding of OCTN1 involvement in various physiological and pathological processes and may have implications for drug development and disease management., Competing Interests: The authors have declared that no competing interests exist., (Copyright: © 2024 Mariem et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.)

ASCT2 (alanine serine cysteine transporter 2), a member of the solute carrier 1 family, mediates Na + -dependent exchange of small neutral amino acids across cell membranes. ASCT2 was shown to be highly expressed in tumor cells, making it a promising target for anticancer therapies. In this study, we explored the binding mechanism of the high-affinity competitive inhibitor L-cis hydroxyproline biphenyl ester (Lc-BPE) with ASCT2, using electrophysiological and rapid kinetic methods. Our investigations reveal that Lc-BPE binding requires one or two Na + ions initially bound to the apo-transporter with high affinity, with Na1 site occupancy being more critical for inhibitor binding. In contrast to the amino acid substrate bound form, the final, third Na + ion cannot bind, due to distortion of its binding site (Na2), thus preventing the formation of a translocation-competent complex. Based on the rapid kinetic analysis, the application of Lc-BPE generated outward transient currents, indicating that despite its net neutral nature, the binding of Lc-BPE in ASCT2 is weakly electrogenic, most likely because of asymmetric charge distribution within the amino acid moiety of the inhibitor. The preincubation with Lc-BPE also led to a decrease of the turnover rate of substrate exchange and a delay in the activation of substrate-induced anion current, indicating relatively slow Lc-BPE dissociation kinetics. Overall, our results provide new insight into the mechanism of binding of a prototypical competitive inhibitor to the ASCT transporters., Competing Interests: Conflict of interest The authors declare that they have no conflicts of interest with the contents of this article., (Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.)

Carbothermal reduction is a promising method for the industrial preparation of nano-zero-valent iron. Preparing it also involves very high pyrolysis temperatures, which leads to a significant amount of energy consumption. The temperature required for the preparation of nano-zero-valent iron by carbothermal reduction was reduced by 200 °C by the addition of sodium salt. Carbon-loaded nano zero-valent iron (Fe 0 /CB-Na) was prepared by carbothermal reduction through the addition of sodium salt. The results showed that Fe 0 /CB-Na@700 had the same activation performance as Fe 0 /CB@900 and the newly prepared nano-zero-valent iron. The addition of sodium salt promoted the transfer of oxygen from the iron oxide to the carbon structure during the roasting process so that the iron oxide was reduced to as much Fe 0 as possible. Thus, sodium salts were optimized for the preparation of nano-zero-valent iron by carbothermal reduction through interfacial amorphization and oxygen transfer, thus reducing the preparation cost., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Accurate structural determination of proteins is critical to understanding their biological functions and the impact of structural disruption on disease progression. Gas-phase cross-linking mass spectrometry (XL-MS) via ion/ion reactions between multiply charged protein cations and singly charged cross-linker anions has previously been developed to obtain low-resolution structural information on proteins. This method significantly shortens experimental time relative to conventional solution-phase XL-MS but has several technical limitations: (1) the singly deprotonated N -hydroxysulfosuccinimide (sulfo-NHS)-based cross-linker anions are restricted to attachment at neutral amine groups of basic amino acid residues and (2) analyzing terminal cross-linked fragment ions is insufficient to unambiguously localize sites of linker attachment. Herein, we demonstrate enhanced structural information for alcohol-denatured A-state ubiquitin obtained from an alternative gas-phase XL-MS approach. Briefly, singly sodiated ethylene glycol bis(sulfosuccinimidyl succinate) (sulfo-EGS) cross-linker anions enable covalent cross-linking at both ammonium and amine groups. Additionally, covalently modified internal fragment ions, along with terminal b-/y-type counterparts, improve the determination of linker attachment sites. Molecular dynamics simulations validate experimentally obtained gas-phase conformations of denatured ubiquitin. This method has identified four cross-linking sites across 8+ ubiquitin, including two new sites in the N-terminal region of the protein that were originally inaccessible in prior gas-phase XL approaches. The two N-terminal cross-linking sites suggest that the N-terminal half of ubiquitin is more compact in gas-phase conformations. By comparison, the two C-terminal linker sites indicate the signature transformation of this region of the protein from a native to a denatured conformation. Overall, the results suggest that the solution-phase secondary structures of the A-state ubiquitin are conserved in the gas phase. This method also provides sufficient sensitivity to differentiate between two gas-phase conformers of the same charge state with subtle structural variations.

DNAzymes - synthetic enzymes made of DNA - have long attracted attention as RNA-targeting therapeutic agents. Yet, as of now, no DNAzyme-based drug has been approved, partially due to our lacking understanding of their molecular mode of action. In this work we report the solution structure of 8-17 DNAzyme bound to a Zn 2+ ion solved through NMR spectroscopy. Surprisingly, it turned out to be very similar to the previously solved Pb 2+ -bound form (catalytic domain RMSD = 1.28 Å), despite a long-standing literature consensus that Pb 2+ recruits a different DNAzyme fold than other metal ion cofactors. Our follow-up NMR investigations in the presence of other ions - Mg 2+ , Na + , and Pb 2+ - suggest that at DNAzyme concentrations used in NMR all these ions induce a similar tertiary fold. Based on these findings, we propose a model for 8-17 DNAzyme interactions with metal ions postulating the existence of only a single catalytically-active structure, yet populated to a different extent depending on the metal ion cofactor. Our results provide structural information on the 8-17 DNAzyme in presence of non-Pb 2+ cofactors, including the biologically relevant Mg 2+ ion., (© 2024. The Author(s).)

Soil salinization is one of the major soil degradation threats worldwide, and parameters related to soil quality and ecosystem multifunctionality (EMF) are crucial for evaluating the success of reclamation efforts in saline-sodic wasteland (WL). Microbial metabolic limitation is also one of the main factors that influences EMF in agricultural cropping systems. A ten-year localization experiment was conducted to reveal the key predictors of soil quality index (SQI) values, microbial metabolic characteristics, and EMF in different farmland cropping systems. A random forest model showed that the β-glucosidase (BG), cellobiosidase (CBH) and saturated hydraulic conductivity (SHC) of the SQI factors were the main driving forces of soil EMF. Compared to monoculture models, such as paddy field (PF) or upland field (UF), the converted paddy field to upland field (CF) cropping system was most effective at improving EMF in reclaimed saline-sodic WL, increasing this metric by 275.35 %. CF integrates practices from both PF and UF planting systems, improved soil quality and relieves microbial metabolic limitation. Specifically, both CF and PF significantly reduced soil pH (by 16-23 %) and sodium adsorption ration (SAR) (by 65-83 %) and significantly reduced the abundance of large macroaggregates. Moreover, CF significantly improved soil saturated hydraulic conductivity relative to PF and UF (p < 0.05), indicating an improvement in soil physical properties. Overall, although reclamation improved SQI compared to WL (0.25), the EMF of CF (0.56) was significantly higher than that of other treatments (p < 0.05). Thus, while increasing SQI can improve soil EMF, it was not as effective alone as it was when combined with more comprehensive efforts that focus on improving various soil properties and alleviating microbial metabolic limitations. Therefore, our results suggested that future saline-sodic wasteland reclamation efforts should avoid monoculture systems to enhance soil EMF., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024. Published by Elsevier B.V.)

The present study aimed to develop low-sodium curing agents for dry-cured meat products. Four low-sodium formulations (SPMA, SPM, SP, and SM) were used for dry-curing meat. The physicochemical properties and flavor of the dry-cured meat were investigated. The presence of Mg 2+ ions hindered the penetration of Na + into the meat. The weight loss, moisture content, and pH of all low-sodium salt groups were lower than those of S. Mg 2+ addition increased the water activity ( A w ) of SPMA, SPM, and SM. Dry-curing meat with low-sodium salts promoted the production of volatile flavor compounds, with Mg 2+ playing a more prominent role. Furthermore, low-sodium salts also promoted protein degradation and increased the content of free amino acids in dry-cured meat, especially in SM. Principal component analysis (PCA) showed that the low-sodium salts containing Mg 2+ were conducive to improving the quality of dry-cured meat products. Therefore, low-sodium salts enriched with Mg 2+ become a desirable low-sodium curing agent for achieving salt reduction in dry-cured meat products.

The nanopore-based translocation of a single-stranded RNA (ssRNA) in mixed salt solution has garnered increasing interest for its biological and technological significance. However, it is challenging to comprehensively understand the effects of the mixed ion species on the translocation dynamics due to their cooperation and competition, which can be directly reflected by the ion screening and neutralizing effects, respectively. In this study, Langevin dynamics simulation is employed to investigate the properties of ssRNA conformation and translocation in mixed Na + -Mg 2+ ion environments. Simulation results reveal that the ion screening effect dominates the change in the ssRNA conformational size, the ion neutralizing effect controls the capture rate of the ssRNA by the nanopore, and both of them take charge of the different changes in translocation time of the ssRNA under various mixed ion environments. Under high Na + ion concentration, as Mg 2+ concentration increases, the ion neutralizing effect strengthens, weakening the driving force inside the nanopore, leading to longer translocation time. Conversely, at low Na + concentration, an increase in Mg 2+ concentration enhances the ion screening effect, aiding in faster translocation. Furthermore, these simulation results will be explained by quantitative analysis, advancing a deeper understanding of the complicated effects of the mixed Na + -Mg 2+ ions., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Purpose: The purpose of this work was to design and build a coil for quadri-nuclear MRI of the human brain at 7 T., Methods: We built a transmit/receive triple-tuned (45.6 MHz for   2 $$ {}^2 $$ H, 78.6 MHz for   23 $$ {}^{23} $$ Na, and 120.3 MHz for   31 $$ {}^{31} $$ P) quadrature four-rod birdcage that was geometrically interleaved with a transmit/receive four-channel dipole array (297.2 MHz for   1 $$ {}^1 $$ H). The birdcage rods contained passive, two-pole resonant circuits that emulated capacitors required for single-tuning at three frequencies. The birdcage assembly also included triple-tuned matching networks, baluns, and transmit/receive switches. We assessed the performance of the coil with quality factor (Q) and signal-to-noise ratio (SNR) measurements, and performed in vivo multinuclear MRI and MR spectroscopic imaging (MRSI)., Results: Q measurements showed that the triple-tuned birdcage efficiency was within 33% of that of single-tuned baseline birdcages at all three frequencies. The quadri-tuned coil SNR was 78%, 59%, 44%, and 48% lower than that of single or dual-tuned reference coils for   1 $$ {}^1 $$ H,   2 $$ {}^2 $$ H,   23 $$ {}^{23} $$ Na, and   31 $$ {}^{31} $$ P, respectively. Quadri-nuclear MRI and MRSI was demonstrated in brain in vivo in about 30 min., Conclusion: While the SNR of the quadruple tuned coil was significantly lower than dual- and single-tuned reference coils, it represents a step toward truly simultaneous quadri-nuclear measurements., (© 2023 International Society for Magnetic Resonance in Medicine.)

Magnetic resonance (MR) with sodium ( 23 Na) is a noninvasive tool providing quantitative biochemical information regarding physiology, cellular metabolism, and viability, with the potential to extend MR beyond anatomical proton imaging. However, when using clinical scanners, the low detectable 23 Na signal and the low 23 Na gyromagnetic ratio require the design of dedicated radiofrequency (RF) coils tuned to the 23 Na Larmor frequency and sequences, as well as the development of dedicated phantoms for testing the image quality, and an MR scanner with multinuclear spectroscopy (MNS) capabilities. In this work, we propose a hardware and software setup for evaluating the potential of 23 Na magnetic resonance imaging (MRI) with a clinical scanner. In particular, the reliability of the proposed setup and the reproducibility of the measurements were verified by multiple acquisitions from a 3T MR scanner using a homebuilt RF volume coil and a dedicated sequence for the imaging of a phantom specifically designed for evaluating the accuracy of the technique. The final goal of this study is to propose a setup for standardizing clinical and research 23 Na MRI protocols.

The critical impact of sodium-doped molybdenum (MoNa) in shaping the MoSe 2 interfacial layer, influencing the electrical properties of CIGSe/Mo heterostructures, and achieving optimal MoSe 2 formation conditions, leading to improved hetero-contact quality. Notably, samples with a 600-nm-thick MoNa layer demonstrate the highest resistivity (73 μΩcm) and sheet resistance (0.45 Ω/square), highlighting the substantial impact of MoNa layer thickness on electrical conductivity. Controlled sodium diffusion through MoNa layers is essential for achieving desirable electrical characteristics, influencing Na diffusion rates, grain sizes, and overall morphology, as elucidated by EDX and FESEM analyses. Additionally, XRD results provide insights into the spontaneous peeling-off phenomenon, with the sample featuring a ~ 600-nm MoNa layer displaying the strongest diffraction peak and the largest crystal size, indicative of enhanced Mo to MoSe 2 conversion facilitated by sodium presence. Raman spectra further confirm the presence of MoSe 2 , with its thickness correlating with MoNa layer thickness. The observed increase in resistance and decrease in conductivity with rising MoSe 2 layer thickness underscore the critical importance of optimal MoSe 2 formation for transitioning from Schottky to ohmic contact in CIGSe/Mo heterostructures. Ultimately, significant factors to the advancement of CIGSe thin-film solar cell production are discussed, providing nuanced insights into the interplay of MoNa and MoSe 2 , elucidating their collective impact on the electrical characteristics of CIGSe/Mo heterostructures., (© 2024. The Author(s).)

Taihu Lake, the third largest freshwater lake in China, has experienced rapid salinization in the past decades; however, little is known about the impact of sodium (Na) on ion exchange in the lake environment. To explore the potential effect of increased Na on the migration of base cations (Ca and Mg) and resulting redistribution between the water and sediment, we used the adsorption-exchange experiment, MINTEQ modeling to explore the cation exchange induced by high Na input, and its impact on the redistribution of Ca and Mg in Taihu different media. The results indicated that exchanged quantity of Ca and Mg increased with time, and the exchange process reached 90% during 0-4 h and reached equilibrium after 24 h under 100 mg/L Na (the maximum Na concentration in Taihu sediment pore water). Our MINTEQ modeled result indicated that the exchanged quantity of Ca and Mg increased with the increasing Na concentration, with Ca being preferably exchanged over Mg at the same Na concentration. The MINTEQ model further predicted that, in the Taihu lake environment, the exchange adsorption would reach the equilibrium at the concentration of 6000 mg/L Na, with exchanged Ca 2+ and Mg 2+ accounting for 47% and 55% of the total exchangeable Ca and Mg in the sediment, respectively. Although current Na-induced exchange in the Taihu lake has been far from the equilibrium, the MINTEQ result confirmed the existence of this reaction and predicted the potential redistribution of base cations or Ca/Mg ratio in the lake sediment and water phase with further Na increase. Furthermore, our field observations not only confirmed the existence of Na-induced cation exchange in this lake environment but also were generally in agreement with our experimental and modeled results. The increased salinization-induced ion exchange would alter the re-distribution of base cations and the resulting potential ecosystem consequences should be given close attention in this large freshwater lake., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

The bioavailability of cerium (Ce) and its toxic effects on aquatic organisms are still unclear, which limits the toxicity prediction and pollution control for this element. Here, the acute toxicity of Ce to Daphnia magna neonates and the responses of the antioxidant system were investigated, and the quantitative relationships between the toxicity of Ce and environmental factors were determined. The 24 and 48 h EC50 Ce-D values based on the dissolved concentration of Ce in Daphnia magna were 60.6 and 10.9 μM, respectively, and the EC50 Ce3+ values were 23.4 and 3.73 μM, respectively. After Ce exposure at environmentally relevant concentrations (0.5-3.5 μM), significant increases in superoxide dismutase activity and malondialdehyde content were observed in Daphnia magna, while significant decreases in catalase activity and H 2 O 2 content occurred. Low levels of Ce cause oxidative damage to Daphnia magna and adverse impacts on the antioxidant system; however, further molecular-based studies are needed. The addition of Ca 2+ or Na + reduced the acute toxicity of Ce to Daphnia magna. In contrast, Mg 2+ (MgSO 4 ) promoted Ce toxicity, which is a new finding related to the interaction effects between cations and rare earth elements on biological ligands; however, the effects of SO 4 2+ could not be distinguished. Complexation with organic ligands could significantly reduce the toxicity of Ce to Daphnia magna; however, complexes of Ce with citric acid and malic acid might be bioavailable to Daphnia magna. In the absence of organic ligands and competing metals, the binding constant of Ce 3+ to Daphnia magna at toxic concentrations was 5.83. The log K values for the competitive effects of Ca 2+ and Na + were 3.73 and 2.59, respectively, while the log K value for the protective effect of fulvic acid was 3.76. These results contribute to understanding the toxicity of Ce and will help predict the toxicity of Ce in freshwater., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

Na-V-P-Nb-based materials have gained substantial recognition as cathode materials in high-rate sodium-ion batteries due to their unique properties and compositions, comprising both alkali and transition metal ions, which allow them to exhibit a mixed ionic-polaronic conduction mechanism. In this study, the impact of introducing two transition metal oxides, V 2 O 5 and Nb 2 O 5 , on the thermal, (micro)structural, and electrical properties of the 35Na 2 O-25V 2 O 5 -(40 - x )P 2 O 5 - x Nb 2 O 5 system is examined. The starting glass shows the highest values of DC conductivity, σ DC , reaching 1.45 × 10 -8 Ω -1 cm -1 at 303 K, along with a glass transition temperature, T g , of 371 °C. The incorporation of Nb 2 O 5 influences both σ DC and T g , resulting in non-linear trends, with the lowest values observed for the glass with x = 20 mol%. Electron paramagnetic resonance measurements and vibrational spectroscopy results suggest that the observed non-monotonic trend in σ DC arises from a diminishing contribution of polaronic conductivity due to the decrease in the relative number of V 4+ ions and the introduction of Nb 2 O 5 , which disrupts the predominantly mixed vanadate-phosphate network within the starting glasses, consequently impeding polaronic transport. The mechanism of electrical transport is investigated using the model-free Summerfield scaling procedure, revealing the presence of mixed ionic-polaronic conductivity in glasses where x < 10 mol%, whereas for x ≥ 10 mol%, the ionic conductivity mechanism becomes prominent. To assess the impact of the V 2 O 5 content on the electrical transport mechanism, a comparative analysis of two analogue series with varying V 2 O 5 content (10 and 25 mol%) is conducted to evaluate the extent of its polaronic contribution.

The electrochemical extraction of lithium (Li) from aqueous sources using electrochemical means is a promising direct Li extraction technology. However, to this date, most electrochemical Li extraction studies are confined to Li-rich brine, neglecting the practical and existing Li-lean resources, with their overall extraction behaviors currently not fully understood. More still, the effect of elevated sodium (Na) concentrations typically found in most Li-lean water sources on Li extraction is unclear. Hence, in this work, we first understand the electrochemical Li extraction behaviors from ultradilute solutions using spinel lithium manganese oxide as the model electrode. We discovered that Li extraction depends highly on the Li concentration and cell operation current density. Then, we switched our focus on low Li to Na ratio solutions, revealing that Na can dominate the electrostatic screening layer, reducing Li ion concentration. Based on these understandings, we rationally employed pulsed electrochemical operation to restructure the electrode surface and distribute the surface-adsorbed species, which efficiently achieves a high Li selectivity even in extremely low initial Li/Na concentrations of up to 1:20,000.

Microbial rhodopsins are photoreceptors containing the retinal Schiff base chromophore and are ubiquitous among microorganisms. The Schiff base configuration of the chromophore, 15- anti (C═N trans ) or 15- syn (C═N cis ), is structurally important for their functions, such as membrane ion transport, because this configuration dictates the orientation of the positively charged NH group that interacts with substrate ions. The 15- anti / syn configuration is thus essential for elucidating the ion-transport mechanisms in microbial rhodopsins. Here, we identified the Schiff base configuration during the photoreaction of a sodium pumping rhodopsin from Indibacter alkaliphilus using Raman spectroscopy. We found that the unique configurational change from the 13- cis , 15- anti to all - trans , 15- syn form occurs between the photointermediates termed O1 and O2, which accomplish the Na + uptake and release, respectively. This isomerization is considered to give rise to the highly irreversible O1 → O2 step that is crucial for unidirectional Na + transport.

Uranium, a key member of the actinides series, is radioactive and may cause severe environmental hazards once discharged into the water due to high toxicity. Removal of uranium via adsorption by applying tailored, functional adsorbents is at the forefront of tackling such pollution. Here, we report the optimized functionalization of the powder coal fly-ash (CFA) derived Na-P1 synthetic zeolite to the form of granules by employing the biodegradable polymer-calcium alginate (CA) and their application to remove aqueous U. The optimized synthesis showed that granules are formed at the CA concentration equals to 0.5 % wt., and that application of 1% wt. solution renders the most effective U scavengers. The maximum U adsorption capacity (q max ) increases significantly after CA modification from 44.48 mgU/g for native, powder Na-P1 zeolite to 62.53 mg U/g and 76.70 mg U/g for 0.5 % wt. and 1 % wt. CA respectively. The U adsorption follows the Radlich-Peterson isotherm model, being the highest at acidic pH (pH eq ∼4). The U adsorption kinetics reveals swift U uptake, reaching equilibrium after 2h for 1 % ZACB and 3 h for 0.5 % wt. ZACB following the pseudo-second-order (PSO) kinetic model. SEM-EDXS investigation elucidates that adsorbed U occurs onto materials as an inhomogenous, well-dispersed, and micrometer-scale aggregate. Further, XPS and μ-XRF spectroscopies complementarily confirmed the hexavalent oxidation state of adsorbed U and its altered distribution on ZACBs with varying CA concentrations. U distribution was probed "in-situ" onto materials while correlations between the major elements (Al, Si, Ca, U) contributing to U scavenging were calculated and compared. Finally, a real-life coal mine wastewater (CMW) polluted by 238 U and 228,226 Ra was successfully purified, satisfying WHO guidelines after treatment using ZACBs. These findings offer new insights on successful yet optimized Na-P1 zeolite modification using biodegradable polymer (Ca 2+ -exchanged alginate) aimed at efficient U removal, displaying a near-zero environmental impact., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests:Maciej Sobczyk reports financial support was provided by Foundation for Polish Science., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

In vivo sensing of the dynamics of ions with high selectivity is essential for gaining molecular insights into numerous physiological and pathological processes. In this work, we report an ion-selective micropipette sensor (ISMS) through the integration of functional crown ether-encapsulated metal-organic frameworks (MOFs) synthesized in situ within the micropipette tip. The ISMS features distinctive sodium ion (Na + ) conduction and high selectivity toward Na + sensing. The selectivity is attributed to the synergistic effects of subnanoconfined space and the specific coordination of 18-crown-6 toward potassium ions (K + ), which largely increase the steric hindrance and transport resistance for K + to pass through the ISMS. Furthermore, the ISMS exhibits high stability and sensitivity, facilitating real-time monitoring of Na + dynamics in the living rat brain during spreading of the depression events process. In light of the diversity of crown ethers and MOFs, we believe this study paves the way for a nanofluidic platform for in vivo sensing and neuromorphic electrochemical sensing.