High surface area carbon was obtained from -carrageenan – urea cryogels doped with 1.25 – 5 wt% graphene oxide (GO). Incorporation of GO resulted in multifaceted modification in the textural and chemical properties of the carbon cryogel. The thermal decomposition of GO facilitated the formation of micropores resulted in a substantial increase in the apparent surface area (up to 1780 m2/g). The annealing at 1000 °C removed part of the heteroatoms but left behind a high number of defects. While the volatile thermal degradation products of GO affected the porous texture and the surface chemistry in a complex way, its reduced residue resulted in a gradually increasing electrical conductivity. The influence of GO was studied in oxygen reduction reaction (ORR) and in Li-ion storage application. GO affected the electron transfer mechanism in the ORR tests and challenged the stability of the electrodes. Even if the electrode has been stabilized under oxygen-free conditions, later may undergo destabilization processes during the ORR. The 5 wt% GO doped sample was the most sensitive under oxidative conditions, but finally it exhibited the highest capacitance. In the Li-ion battery tests the coulombic efficiency of all the samples was consistently above 98 %, indicating the great potential of such carbons for efficient Li-ion insertion and reinsertion during the charge – discharge process, thereby providing a promising alternative for graphite-based anodes. The cell from the 1.25% sample showed an initial discharge capacity of 313 mAh/g, 95.1 % capacity retention and 99.3 % coulombic efficiency after 50 charge – discharge cycles.

Preclinical evidence suggests that voltage gradients can act as a kind of top-down master regulator during embryogenesis and orchestrate downstream molecular-genetic pathways during organ regeneration or repair. Moreover, electrical stimulation shifts response to injury towards regeneration instead of healing or scarring. Cancer and embryogenesis not only share common phenotypical features, but also commonly upregulated molecular pathways. Ion channel activity is directly or indirectly linked to the pathogenesis of cancer hallmarks, while experimental and clinical studies suggest that their modulation may exert antitumor effects. A large recent clinical trial served as a proof-of-principle for the benefit of preoperative use of topical sodium channel blockade as a potential anticancer strategy against early human breast cancers. Apart from the obvious importance in perioperative medicine, it calls for the planning of further carefully designed clinical trials to expand on the concept of ion channels as tumor drivers.

Silicon anodes have been considered one of the most promising anode candidates for the next generation of high-energy density lithium-ion batteries due to the high theoretical specific capacity (4200 mAh g-1) of Si. However, high lithiation capacity endows silicon anodes with severe volume expansion effects during the charge/discharge cycling. The repeated volume expansions not only lead to the pulverization of silicon particles and the separation of electrode materials from the current collector, but also brings rupture/formation of solid electrolyte interface (SEI) and also continuous electrolyte consumption, which seriously hinders the commercial application of silicon anodes. Structural design and optimization is the key to improving the electrochemical performances of silicon anodes, which has attracted wide attention and research in recent years. This paper mainly summarizes and compares the latest research progress for the structural design and optimization of silicon anodes.

With the rapid and continuous advancement and deployment of advanced energy storage de-vices, there has been significant interest in aqueous capacitors that possess non-flammable properties and high safety features. Consequently, extensive research efforts have focused on investigating zinc anodes and low-cost carbonaceous cathode materials. Despite these efforts, the development of high-performance zinc-ion capacitors (ZICs) still faces challenges such as limited cycling stability and low energy densities. In this study, we present a novel approach to address these challenges. We demonstrate the utilization of a three-dimensionally (3D) grown conductive porous carbon framework cathode coupled with zinc anode cells, which exhibit exceptional sta-bility and durability in ZICs. Our experiments reveal a remarkable cycling performance, with a capacity retention of approximately 97.3% and a coulombic efficiency of nearly 100% even after 10,000 charge-discharge cycles. These findings signify significant progress in enhancing the performance of ZICs.

Thermal safety of lithium-ion traction batteries is a highly concerned issue in the field of electric transportation. The large amount of gas emission during the thermal runaway process of batteries has highly safety hazards such as fire and explosion. Quantitative analysis of emission is one of the important challenges for testing and evaluating battery safety. Focus on quantifying the gas emission through large-scale thermal propagation in battery modules and packs, based on the idea of cell result multiplication, this article conducts thermal runaway emission analysis on single cell and modules, and compares the behavior of thermal runaway and gas emission of the cell and module from the aspects of temperature, pressure, gas composition and battery morphology. The feasibility of the cell result multiplication method was verified from the perspective of experimental data.

This paper expressed three regression models that predict the lithium-ion battery life for electric cars based on a supervised machine-learning regression algorithm. The Linear Regression, Bagging Regressor, and Random Forest Regressor models will be compared for capacity prediction of lithium-ion batteries based on voltage-dependent per-cell modeling. When sufficient test data is available, three linear regression learning algorithms will train this model to give a promising battery capacity prediction result. The effectiveness of the three linear regression models will be demonstrated experimentally. The experiment table system is built with an NVIDIA Jetson Nano 4GB Developer Kit B01, a battery, an Arduino, and a voltage sensor. The Random Forest Regressor model has evaluated the model's accuracy based on the average of the square of the difference between the initial value and the predicted value in the data set (MSE (Mean Square Error)), and RMSE (Root Mean Squared Error) is smaller than the Linear Regression model, Bagging Regressor model (MSE is 516.332762; RMSE is= 22.722957). The Linear Regression model with MSE and RMSE is the biggest (MSE is 22060.500669; RMSE is= 148.527777). This result allows the Random Forest Regressor model to remain a helpful life prediction of lithium-ion batteries. Moreover, this result allows rapid identification of battery manufacturing processes and will enable users to decide to replace defective batteries when deterioration in battery performance and lifespan are identified.

The main property of tripodal ligands is the predictable type of coordination. Homo- and heteroleptic lanthanide complexes with tripodal ligands are a representative class of compounds. However, despite the fact that many of them are paramagnetic their magnetic behavior is poorly understood. This is because their photophysical and catalytic properties have been more attractive. In the present review, we are trying to summarize the available structural information and extremely few data on magnetic properties in order to draw some conclusions about the prospective of tripods using in the design of quantum molecular magnets based on Ln ions. We would like to draw the reader's attention to the fact that despite the consideration of a large part of the currently known lanthanide compounds with tripodal ligands, this review is not exhaustive. However, our goal was to draw the attention of researchers to the fact that a whole niche of air-stable Ln complexes remained outside the attention of magnetochemists and theoreticians.

Rechargeable aqueous Zn-ion batteries (ZIBs) have attracted considerable attention owing to their high theoretical capacity of 820 mA h g‒1, low cost and intrinsic safety. However, the electrolyte leakage and the instability issues of Zn negative electrodes originating from side reactions between the aqueous electrolyte and Zn negative electrode, not only restricts the battery stability but also results in short-circuit of aqueous ZIBs. Herein we report a flexible and stable N-isopropylacrylamide/sodium alginate (N-SA) gel electrolyte, which possesses high mechanical strength and high ionic conductivity of 2.96×10‒2 S cm‒1, and enables the Zn metal negative electrode and MnO2 positive electrode to reversibly and stably cycle. Compared to the liquid electrolyte, the N-SA hydrogel electrolyte can effectively form a uniform Zn deposition and suppress the generation of irreversible by-products. The assemble symmetric Zn/Zn cells at a current density of 1 mA cm‒2 shows a stable voltage profile, which maintains a low level of about 100 mV over 2600 h without an obvious short circuit or any overpotential increasing. Specially, the assembled Zn/N-SA/MnO2 batteries can deliver a high specific capacity of 182 mAh g‒1 and maintain 98% capacity retention after 650 cycles at 0.5 A g‒1. This work provides a facile method to fabricate high-performance SA-based hydrogel electrolytes that illustrates their potential for flexible batteries for wearable electronics.

The development of technology that combines supercapacitors and lithium-ion batteries by externally connecting them in parallel is ongoing. This study examines the correlation between the volume ratio and electrical characteristics of a cell made by internally connecting a battery capacitor with Li4Ti5O12 as the anode active material and a supercapacitor in parallel. It was found that increasing the volume occupied by the battery capacitor in the cell led to increased cell energy and resistance, resulting in decreased output characteristics. Conversely, increasing the volume occupied by the supercapacitor in the cell led to a decrease in the IR drop during discharge and cell temperature when evaluating cycle characteristics with a current of 20C. The study also examined the behavior of the current distributed during the charging and discharging process based on the volume ratio of the supercapacitor and the battery capacitor. Analyzing the correlation between the volume ratio and electrical characteristics of supercapacitors and battery capacitors could potentially lead to the development of a new type of energy storage device.

Much attention has been attracted by aqueous zinc zinc-ion batteries (AZIBs) due to the features of inherent safety, environmental compatibility, low cost and fantastic energy density. Nevertheless, chemical corrosion and dendrite growth occurring on Zn anode during the charge/discharge process usually cause the surface passivation and short circuit of cells, seriously hindering the development of AZIBs. To settle these problems, a Cu(II)/polydopamine modified glass fiber (Cu-PDA/GF) is designed as separator. Due to the enhanced ionic conductivity of Cu(II) and PDA modified glass fiber separator, reversible zinc plating/striping is achieved in symmetric cells, which display long cycle life of over 1800 h at the current density of 1 mA cm−2 with the fixed capacity of 1 mAh cm−2. Moreover, the assembled Zn//V2O5 cells using Cu-PDA/GF separator also demonstrate improved capacity retention. The present study provides a simple separator modification strategy for high-performance and reliable AZIBs, which are conducive to energy storage devices.

The transportation sector significantly contributes to greenhouse gas emissions, thus imposing sig-nificant environmental hazards. In response, many nations have begun promoting Electric Vehicles (EVs) as an ecologically sustainable substitute for traditional combustion vehicles. Lithium-Ion Batteries (LIBs), characterized by their high energy density, extended lifespan, and relatively low self-discharge rate, have become the suitable energy storage system for EVs, advancing the field of sustainable transportation. The decreasing cost of LIB production has primarily driven this progression, realized through a combination of economies of scale, advancements in electrode materials and cell design, and re-finements in manufacturing processes. All these elements collectively contribute to the cost reduc-tion of LIBs. A foreseeable implication of this trend is an expected surge in LIBs that will exhaust their operational lifespan and, consequently, be cast away into the environment. One mitigating strategy for this impending environmental issue involves collecting these spent EV batteries, re-configuring them, and repurposing them for applications with less rigorous weight, performance, and size prerequisites. This approach would not only prolong the utility life of the batteries but also ameliorate their environmental impacts. Nevertheless, second-life batteries are anticipated to exhibit a higher rate of gas evolution, necessitating comprehensive testing and readjustments to ensure safe operation in secondary ap-plications. The regulatory framework encompassing the second-life battery sector still needs to be defined regarding norms, technical standards, and legislation. This paper aims to elucidate the primary regulations and technical standards proposed thus far in the second-life battery marketplace. The results underscore the exigency for neutral evaluative entities, such as universities, research centers, and governmental institutions, to perform an unbi-ased assessment of the second-life battery market. This would pave the way for novel technical standards and legislative measures specifically tailored to this emerging sector.

Dendrite growth and parasitic reactions with liquid electrolyte are the two key factors that restrict the practical application of the lithium metal anode. Herein, a bis(benzene sulfonyl)imide based single-ion polymer artificial layer for lithium metal anode is successfully constructed, which is prepared via blending the as-prepared copolymer of lithiated 4, 4’-dicarboxyl bis(benzene sulfonyl)imide and 4,4’-diaminodiphenyl ether on the surface of lithium foil. This single-ion polymer artificial layer enables compact structure with unique continuous aggregated Li+ clusters, thus reducing the direct contact between lithium metal and electrolyte, and ensuring Li+ transport fast and homogeneous simultaneously. Based on which, the coulombic efficiency of the Li|Cu half-cell is effectively improved, and the cycle stability of the Li|Li symmetric cell can be prolonged from 160 h to 240 h. Surficial morphology and elemental valence analysis confirm that the bis(benzene sulfonyl)imide based single-ion polymer artificial layer effectively facilitates the Li+ uniform deposition and suppresses parasitic reactions between lithium metal anode and liquid electrolyte in the LFP|Li full-cell. This strategy provides a new perspective to achieve steady lithium metal anode, which can be a promising candidate in practical application.

Protons are gaining increasing attention as neurotransmitters due to their extraordinary abilities to rapidly transfer electrical charge, mobilize cellular calcium and modulate ion channels. How all this is possible is currently the subject of in-depth studies and discussions concerning not only neurophysiology, but also biological materials for artificial intelligence. In this short review, some biochemical mechanisms are described by which protons, in combination with calcium, can initiate firing in sensory neurons and transmit impulse across synapses. Furthermore, mechanisms are put forward concerning how three neurotransmitters, glutamate, gamma-aminobutyric acid and acetylcholine, are able to generate protons. The results of the numerous experimental works taken into consideration indicate that protons can play a fundamental role both in the generation and in the transmission of the nerve impulse.

Lithium-ion batteries serve as the primary sources of power for electric vehicles (EVs) and hybrid electric vehicles (HEVs). For vehicle applications, battery management systems (BMSs) are nec-essary to protect lithium-ion batteries from overheating and to ensure optimum vehicle perfor-mance. Our approach to developing a BMS was based on recent advances in the application of phase field models for lithium-ion batteries. In particular, our reduced-order model (ROM) uti-lized a dataset generated from the COMSOL® Multiphysics simulation of the Cahn–Hilliard equation for a single particle of a lithium iron phosphate (LiFePO4) cathode: an example of using a reduced-order model (ROM) based on a single-particle model (SPM). The main innovation of our ROM is that the SPM is fully coupled to a heat transfer model at the battery cell level. We utilized principal component analysis to identify a lower-order model that could reproduce the battery’s voltage and temperature response for ambient temperatures ranging from 253 to 298 K and for discharge rates ranging from 1 C to 20.5 C. The reduced-order dataset was then fitted to the ex-perimental data for an A123 Systems 26650 2.3 Ah cylindrical battery using deep neural network (DNN) regression.

The broad acceptance of electromobility depends heavily on the performance and service life of the battery technology used. Lithium-ion battery technology is currently the most promising energy storage technology for mobile applications, but the performance and capacity of the cells is extremely temperature sensitive. Especially in these new complex and powerful applications there is a significant need for thermal management. Depending on the ambient conditions, part of the effective battery energy must therefore be used to temper the system. So far, mainly active components have been used for this task. This not only reduces the overall efficiency, but also increases the weight, volume and maintenance requirements of the system. In the present work, an alternative battery temperature management system (BTMS) was developed. A concept based on latent heat storage materials was created, which uses the advantages of thermal energy storage and the design freedom of additive manufacturing technology, and its suitability for use in battery applications was checked. On the one hand, the use of systems for storing thermal energy was researched and, on the other hand, an innovative cooling concept was created considering new production possibilities.

Sweet sorghum is an important bioenergy grass and valuable forage with a strong adaptability to saline environments. However, little is known about the mechanisms of sweet sorghum coping with ion toxicity under salt stresses. Here, we first evaluated the salt tolerance of a sweet sorghum cultivar “Lvjuren” and determined its ion accumulation traits under NaCl treatments; then explored key genes involved in Na+, Cl−, K+ and NO3− transport using transcriptome profiling and qRT-PCR method. The results showed that the growth and photosynthesis of sweet sorghum were unaffected by 50 and 100 mM NaCl treatments, indicative of a strong tolerance of this species to salt stresses. Under NaCl treatments, sweet sorghum could efficiently exclude Na+ from shoots and accumulate Cl− in leaf sheaths to avoid their overaccumulation in leaf blades; meanwhile, it possessed a prominent ability to sustain NO3− homeostasis in leaf blades. Transcriptome profiling identified several differentially expressed genes associated with Na+, Cl−, K+ and NO3− transport in roots, leaf sheaths and leaf blades of sweet sorghum after 200 mM NaCl treatment for 6 and 48 h. Moreover, transcriptome data and qRT-PCR results indicated that HKT1;5, CLCc and NPF7.3-1 should be key genes involved in Na+ retention in roots, Cl− accumulation in leaf sheaths and maintenance of NO3− homeostasis in leaf blades, respectively. Many TFs were also identified after NaCl treatment, which should play important regulatory roles in salt tolerance of sweet sorghum. This work lays a preliminary foundation for clarifying the molecular basis underlying the adaptation of sweet sorghum to adverse environments.

Tea (Camellia sinensis) is one of the most popular beverages worldwide. Many types of tea prod-ucts continuously emerge in an endless stream; so, the classification or verification of tea be-comes more difficult. Aroma is a vital indicator of tea quality. The present study deals with the identification of aroma compounds in 18 different kinds of tea belonging to three typical tea va-rieties, including green tea, oolong tea, and black tea, using GC-IMS and GC×GC-O-MS. More-over, the clustering of all 18 tea samples and the in-depth correlation analysis between sensory evaluation and instrumental data were performed using the PCA and OPLS-DA. The results re-vealed that in all 18 kinds of tea, a total of 85 aroma compounds were detected by GC-IMS, whereas 318 were detected by GC×GC-O-MS. The PCA result revealed that green tea, oolong tea, and black tea could be clearly separated based on their peak areas. The OPLS-DA result showed that a total of 49 aroma compounds with VIP value > 1.0 could be considered as the potential in-dicators to quickly classify or verify tea types. This study not only compared the aroma differ-ences across different types of teas, but also provided ideas for the rapid monitoring of tea qual-ity and variety.

To date, zinc ion batteries (ZIBs) have been attracting extensive attention due to their outstanding properties and the potential to be the solution for next-generation energy storage systems. However, the uncontrollable growth of zinc dendrites and water-splitting issues seriously restrict the further scalable application. Over the past few years, solid polymer electrolytes (SPEs) have been regarded as a promising alternative to address these challenges and facilitate the practical advancement of zinc batteries. In this review, we revisited the research progress of SPEs applied in zinc batteries in the past few years and focus on introducing cutting-edge polymer science and technologies that can be utilized to prepare advanced SPEs for high-performance zinc batteries. The operating mechanism of SPEs and the functions of polymers will be summarized. To highlight the polymer functions, SPEs are categorized into three types, respectively, homogenous polymer SPEs, hybrids polymer SPEs, and nanocomposites SPEs, which are expected to reveal the roles and principles of various polymers in zinc batteries. This review presents the current research progress and fundamental mechanisms of polymer-based SPEs in zinc batteries, outlines the challenging issues encountered, and meanwhile proposes potential solutions for future endeavours.

The review presents the most developed by date hypotheses on the mechanisms of the influence of low-frequency magnetic fields (LFMF) on organisms. Biophysical models that explain the resonance-like responses of biological systems to LFMF with a specific frequency and amplitude are described. Two groups can be distinguished among these models: one considers ions-cofactors of proteins as the primary targets for the LFMF influence, and the other regards the magnetic moments of particles in biomolecules. Attention is paid to the dependence of resonance-like LFMF effects on the cell type. A radical-pair mechanism of the magnetic field's influence on biochemical processes is described with the example of cryptochrome. Conditions for this mechanism's applicability to explain the biological effects of LFMF are given. A model of the influence of LFMF on radical pairs in biochemical oscillators, which can explain the frequency-amplitude efficiency windows of LFMF, is proposed.

The results of measuring the capacity of a thin-film solid-state lithium-ion battery (SSLIB) Ti|Si@O@Al|LiPON|LiCoO₂|Ti at different charge currents are reported. It is shown that the dependence of the capacity on the current density follows the Peukert's law, which is characterized by a low value of the Peukert’s exponent in the region of low currents and a high value of the exponent in the region of high currents. A capacity model for a SSLIB based on the balance of diffusion and migration currents is proposed and the dependence of the capacity on the charge current is derived. The obtained dependence is well approximated by Peukert's law with an exponent of 1.39, which is intermediate between the exponents for lithium-ion batteries with liquid electrolyte and SSLIBs.

Ion current rectification (ICR) is the ratio of ion current by forward bias to by backward bias and is a critical indicator of diode performance. In previous studies, many attempts have been continued to improve the performance of this ICR, but there is the intrinsic problem for geometric changes that induce ionic rectification due to their fabrication problem. Additionally, the high ICR could be achieved in the narrow salt concentration range only. Here, we propose a multi-layered bipolar ionic diode based on an asymmetric nanochannel network membrane (NCNM), which is realized by soft lithography and self-assembly of homogenous-sized nanoparticles. Owing to the freely changeable geometry based on soft lithography, the ICR performance can be explored according to the variation of microchannel shape. Interestingly, very stable ICR performance can be achieved using the multi-layered 3D configuration for the bipolar diode in a broad range of salt concentrations (0.1mM ~ 100 mM). This demonstrates the promising potential of multi-layered NCNM for applications in highly concentrated electrolytes, such as biosensors, desalination, or energy harvesting.

The goal of this lab is to look at how the characteristics of cementitious materials are affected by bending loads combined with dry and wet cycles of sulfate. In this paper, three sets of specimens with different water–cement ratios were designed. This study applied 20% and 40% of the ultimate bending load as a continuous bending load to the cementitious material specimens for a sulfate erosion test. It was discovered that the specimens' porosity, flexural strength, and compressive strength all tended to improve initially before declining as the cementitious material was degraded in the sulfate solution aged. The flexural strength of the cementitious materials declined as the bending load increased, and their internal sulfate ion concentration rose. A transport model of sulfate ions in cementitious materials under the coupling effect of bending load and sulfate erosion was created by combining the improved version of Fick’s second law and chemical reaction kinetics. The simulation results show that the ion transport properties of sulfate ions in cementitious materials are in accordance with the experimental laws. These research results formed the basis of the unified standards for the coupling of load dry and wet cycle systems, as well as evaluating the durability of cementitious materials under corrosive environments.

Breast cancer is a complex and heterogeneous disease that displays diverse molecular subtypes and clinical outcomes. Although it is known that the location of tumors can affect their biological behavior, the underlying mechanisms are not fully understood. In our previous study, we found a differential methylation profile and membrane potential between left (L) and right (R)-sided breast tumors. In this current study, we aimed to identify the ion channels responsible for this phenomenon and determine any associated phenotypic features. To achieve this, experiments were conducted in mammary tumors in mice, human patient samples, and with data from public datasets. The results revealed that L-sided tumors have a more depolarized state than R-ones. We identified a 6-ion channel-gene signature (CACNA1C, CACNA2D2, CACNB2, KCNJ11, SCN3A, and SCN3B) associated with side: L-tumors exhibit lower expression levels than R-ones. Additionally, in silico analyses show that the signature correlates inversely with DNA methylation writers and with key biological processes involved in cancer progression, such as proliferation and stemness. The signature also correlates inversely with patients’ survival rates. In an in vivo mouse model, we confirmed that KI67 and CD44 markers were increased in L-sided tumors and similar tendency for KI67 was found in patient L-tumors. Overall, this study provides new insights into the potential impact of anatomical location on breast cancer biology and highlights the need for further investigation into possible differential treatment options.

Silicon has a theoretical specific capacity of 4200 mAh g−1, which is considered to have significant potential for anode materials in lithium-ion batteries (LIBs). However, the volume change that occurs in silicon during charging and discharging affects the development of commercial applications. In this work, a yolk-shell structured Si@void@C anode material has been developed to address this problem. The silicon nanoparticle yolk material is obtained by recycling kerf-loss (KL) Si waste from the photovoltaic industry, the carbon shell is prepared via a hydrothermal process with glucose, and the sacrificial interlayer is Al2O3. The synthesized material is used to fabricate anodes that show a high reversible capacity of 836 mAh g−1 at the current density of 0.1 A g−1 after 100 cycles, with a Coulomb efficiency of 71.4%. This work demonstrates a relatively low-cost approach to turn KL Si waste into value-added materials for LIBs.

Purpose: This study aimed to evaluate the nanomechanical properties and chemical composition of restorative materials and dental surfaces using different toothpastes. Methods: Enamel (n=60) and dentin (n=60) bovine blocks were obtained and restored using resin-modified glass ionomer cement (RMGIC, n=30) or composite resin (CR, n=30) to form the dentin adjacent to RMGIC (DRMGIC), enamel adjacent to RMGIC (ERMGIC), dentin adjacent to CR (DCR), and enamel adjacent to CR (ECR). After restoration, one hemiface of each specimen was coated with an acid-resistant varnish to create the control (C) and eroded (E) sides (erosion: 5 days, 4 × 2 min/day; 1% citric acid / abrasion: 2 × 15 s followed by immersion on slurries 2 min). Three toothpastes were used: without fluoride (WF; n=10), sodium fluoride (NaF; n=10), and stannous fluoride (SnF2; n=10). The specimens were analyzed for nanohardness (H), elastic modulus (Er), and chemical composition using energy-dispersive X-ray spectroscopy (EDS) and Raman microscopy. Data were analyzed using ANOVA two-way repeated measures and Tukey’s test (α = 0.05). Results: The NaF presented lower values of H for DRMGIC-C, with a statistical difference for WF (p < 0.05). SnF2 resulted in lower Er values for ERMGIC-E and RMGIC-E than WF and NaF (p < 0.05). WF showed lower calcium and phosphorus concentrations for DCR-E than other types of toothpastes (p < 0.05). Only stannous-based toothpaste damaged the elasticity of eroded glass ionomer restorations performed in enamel. Toothpastes with fluoride was capable for maintaining main chemical elements of dentin adjacent to restorative materials under challenge conditions.

In this study, GC–IMS was used to analyze the volatile component and flavor profiles of Crassostrea gigas individuals of different ploidy and gender. Principal component analysis was used to explore overall differences in flavor profiles and a total of 54 volatile compounds were identified. The total volatile flavor contents in edible parts of tetraploid oysters were significantly higher than in diploid and triploid oysters. The concentrations of ethyl (E)-2-butenoate and 1-penten-3-ol were significantly higher of triploid oysters than in diploid and tetraploid oysters. In addition, the volatile compounds propanoic acid, ethyl propanoate, 1-butanol, butanal, and 2-ethyl furan were significantly higher in females than in males. The volatile compounds p-methyl anisole, 3-octanone, 3-octanone, and (E)-2-heptenal were present in higher levels in male than in female oysters. Overall, different ploidy and gender of oysters were being presented with different sensory characteristics, providing new insights for understanding the flavor characteristics of oysters.

The paper investigates the influence of ion nitriding on the microstructure, corrosion resistance, and tensile strength at elevated temperatures of Haynes 282 nickel superalloy specimens produced by the Direct Metal Laser Sintering-DMLS technique. Analysis of the specimens’ surface morphology revealed that the ion nitriding process significantly affects the physical and chemical phenomena occurring on the surface of the specimens. Phase composition and stress analysis showed that Haynes 282 nickel alloy specimens produced by the DMLS technique and a chromium nitride layer produced in the ion nitriding process have tensile stress. The layer is also characterized by high nanohardness compared to specimens produced using the classical method (wrought) and DMLS technique. The conducted corrosion resistance tests confirmed the positive effect of the nitrided layer on the corrosion resistance of Haynes 282 nickel alloy produced by the DMLS technique. The ion nitriding process did not significantly affect the elevated-temperature tensile strength of Haynes 282 nickel alloy specimens produced by the DMLS technique.

Laser energy per unit surface, necessary to trigger the material removal, decreases with the pulse shortening becoming the pulse-time independent in the sub-picosecond range. These pulses are shorter the electron-to-ion energy transfer time and electronic heat conduction time minimizing the energy losses. The electrons receiving the energy larger than the threshold, drag the ions off the surface in the mode of electrostatic ablation. We show that the pulse shorter than the ion period (Shorter-the-Limit (StL)) ejects conduction electrons with the energy larger than the work function (from a metal) leaving the bare ions immobile in a few atomic layers. The electrons emission is followed by the bare ion’s explosion, ablation, and THz radiation from expanding plasma. We compare this phenomenon to the classic photo effect, nanocluster Coulomb explosions, show differences and consider possibilities for detecting the new mode of ablation experimentally by emitted THz radiation and consider applications of high-precision nano-machining with this low intensity irradiation.

A non-steady state mathematical model of amino acid (phenylalanine (Phe)) and mineral salt (NaCl) solution separation by neutralization dialysis (ND) carried out in a batch mode is proposed. The model takes into account the characteristics of membranes (thickness, ion-exchange capacity and conductivity) and solutions (concentration, composition), as well as the flow rate of the solution in the dialyzer compartments. As compared to previously developed models, the new one considers the local equilibrium of Phe protolysis reactions in solutions and membranes and, also, the transport of all the phenylalanine forms (zwitterionic, positively and negatively charged) through membranes. A series of experiments on ND demineralization of NaCl and Phe mixed solution was carried out. In order to minimize Phe losses, the solution pH in the desalination compartment was controlled by changing the concentrations of the solutions in the acid and alkali compartments of the ND cell. The validity of the model was verified by comparison of simulated and experimental time dependencies of solution electric conductivity and pH, as well as the concentration of Na+, Cl– ions and Phe species in the desalination compartment. Based on the simulation results, the role of Phe transport mechanisms in the losses of this amino acid during ND was discussed.

The purpose of this research is to present a thorough evaluation of the energy management system, which consists of hybrid energy storage systems, and its control algorithms, which may be used in electric vehicles. This paper outlines the characteristics of electric vehicles, research methods, analysis of the hybrid energy storage system architecture, converter topology, and energy management techniques. The strength and co-occurrence of keywords over the past ten years are shown in this study using a systematic research framework for performing a literature review and using keyword analysis techniques. The study reveals a pattern of recently and frequently used terms in works of literature. Consequently, their suitability, benefits, and drawbacks are assessed. In this study, the hybrid energy storage system and converter circuit architecture are evaluated and rated. Non-isolate DC-DC converter converter connected to SC is a suitable configuration for the hybrid converter because it is simple to build, reliable, and has minimal loss/weight/cost, which improves vehicle performance. In terms of the application of control strategies, it is shown that deterministic and fuzzy rule-based control techniques are successfully assessed using real-scale vehicle experiments and selected for manufacturing. On the other hand, real-time optimization-based energy management techniques have been effectively shown in lab-scale tests and may be used in a future real-scale vehicle.

The increased interest in space activities, structural health monitoring, and terrestrial monitoring in hostile and inaccessible zones places a high demand for energy sources for autonomous systems. Conventional electrochemical batteries that could be used are plagued by low energy storage density, short life, disposal of unwanted batteries, and related undesired recharging or replacement maintenance requirements, which endangers the environment. Fuel cells and solar energy sources being exploited to mitigate the adverse effect of environmental threats posed by batteries and fossil fuels are costly to acquire and maintain. The availability of energy sources derived from waste heat from radioactive decay for domestic appliances and industrial equipment will also help alleviate the effects of climate change, which continues to threaten the environment due to fossil fuel energy-based sources that emit harmful carbon monoxide into the atmosphere. A combination of energy from waste heat, harvested via thermoelectricity and existing battery technology to produce a hybrid energy source, can guarantee secured energy for an extended period. Based on the Seebeck effect, thermoelectric energy generation may considerably contribute to sustainable energy development and meet the power demand for spacecraft applications. Modeling of the energy from waste heat, the Li-ion battery, and a hybrid energy source are considered, and their performances are established using the MATLAB/Simulink environment. Results confirmed the comparative advantage of the hybrid energy source over and above the respective electrochemical batteries and waste heat energy sources regarding effectiveness and performance efficiency. Since batteries are required to operate in a constantly changing environment, the effects of temperatures on batteries were investigated. The results show that the performances of batteries decrease with a decrease in ambient temperature and that the higher the maximum operating capacity, the higher the battery's internal temperature.

Recent advances in synthetic membranes allow their use in fields as diverse as food and agriculture, biotechnology, industrial wastewater treatment, and potable water production. Among the newly developed technologies, nanofiltration for liquids and more particularly for desalination of seawater or saline aquifers are actively pursued. However, current solid-state membranes performance is limited, which calls for the development of novel formulations for membranes offering both high permeability (ion and water flux) and ion differentiation (selectivity), usually considered antagonist features. We report the development of hybrid nanoporous membranes made of solid-state polymeric carbonate track-etched (PCTE) thin films in which biological ion channels such as Gramicidin A (GA), alpha-hemolysin (α-HL), and outer-membrane protein F (OmpF) aquaporin are confined and graphene oxide (GO) conjugated cobalt ion selective binding peptide motifs (Copep) are adsorbed, referring as bioinspired and biomimetic approaches, respectively. These solid-state nanoporous membranes are attracting widespread attention since they offer scalability, mechanical robustness, selectivity, controlled pore dimension and shape, for water sustainability. The ion permeability, ion diffusion coefficient and selective ion recognition are evaluated via nanofiltration, cell diffusion kinetics, and UV-Visible absorption spectroscopy to gain insights into the role of key performance parameters including effective ion confinement in track-etched pores, rich surface chemistry, and peptide-induced channel for selective ion transport. These findings provide new avenues for artificial ion channels by synergistic combination of eco-friendly material design such as GO enabled by bio-molecular recognition chemistry.

This paper presents an improved SOC estimation method for lithium ion batteries in Electric Vehicles using Bayesian optimized feedforward network. This innovative bayesian optimized neural network method attempts to minimize a scalar objective function by extracting hyperpa-rameters (hidden neurons in both layers) using a surrogate model. Furthemore, the hyperparameters are built and data samples are trained and validated. The performance of the proposed deep learning neural network is evaluated. Two reasonable size data samples are ex-tracted from Panasonic 18650PF Li-ion Mendeley datasets that are used for training and valida-tion. RNN and LSTM neural network algorithms offer the common core property of retaining past information and/or hidden states for better SOC estimation. However, the feature of this pro-posed method is the inclusion of Bayesian optimization that chooses optimal double layer hidden neurons. Analysis of results shows that Bayesian optimized feedforward algorithm with average MAPE (0.20%) is the lowest and is the best selection compared with average MAPE for other five deep learning algorithms. In the last quarter of fuel gauge, where fuel anxiety is severe, feed-forward with Bayesian Optimization algorithm is still the best selection (with MAPE of 0.64%).

The review starts by highlighting the significance of nuclear power plants in contemporary world, especially its indispensable role in the global efforts to reduce CO2 emissions. Then, it describes the impact of irradiation on microstructure and mechanical properties of reactor structural materials. The main part provides the reader with a thorough overview of crystal plasticity models developed to address the irradiation effects so far. All three groups of most important materials are included. Namely, the Zr alloys used for fuel cladding, austenitic stainless steels used for reactor internals and ferritic steels used for reactor pressure vessel. Other materials, especially those considered for construction of future fission and fusion nuclear power plants, are also mentioned. The review pays also special attention to ion implantation and instrumented nanoindentation which are a common way to substitute costly and time-consuming neutron irradiation campaigns.

Co-free Li-rich oxide is a promising cathode for low cost high energy density Li-ion battery but presents poor cyclic stability. To address this issue, CeO2 is coated on Co-free Li-rich oxide through a low-temperature aged process, resulting in a novel CeO2-coated Li-rich oxide compo-site. Due to the low-temperature aged process, a uniform CeO2 coating layer of 6 nm in thickness is successfully coated on Co-free Li-rich oxide. With this uniform coating, the resulting CeO2-coated Li-rich oxide composite presents improved cyclic stability as well as rate capability as the cathode of Li-ion battery. The capacity retention of the resulting CeO2-coated Li-rich oxide is enhanced from 67% to 85% after 100 cycles and its capacity retention of 5C/0.05C is enhanced from 10% to 23%, compared with the uncoated sample. Such significant improvements enable this low-temperature aged process to be helpful for the practical application of Li-rich oxide materials, not limited to Co-free Li-rich oxide.

High-performance anodes are contributed to nanostructure of transition metal oxides for rechargeable Li-ion batteries (LIBs). In this work, we report the fabrication of high-performance anode materials for lithium-ion batteries, MnO2 nanotube directly grown into fabrics of carbon nanofibers, the MnO2/Carbon nanofibers (CNFs) were investigated by X-ray diffraction, scanning and transmission electron microscopies. When tested as the anode material in LIBs, the MnO2/CNFs exhibit superior performance and excellent long cycling performance with a reversible capacity of 835 mA h g-1 at 0.1 A g-1 after the 133 th cycle, a high initial specific capacity of 1094 mA h g-1 at a current density of 0.1 A g-1. The MnO2/CNFs demonstrates notable specific capacities, specifically, with a coulombic efficiency of 99.5 %, both stability and capacity are conspicuously above literature data. These impressive results indicate that MnO2/CNFs has great potential for high-energy and high-power energy storage applications.

Lithium-ion batteries (LIBs) have become the preferred battery system for portable electronic devices and transportation equipment because of their high specific energy, good cycling performance, low self-discharge and no memory effect. However, too low ambient temperature will seriously affect the performance of LIBs, almost cannot discharge at -40~-60 ℃. There are many factors affecting the low temperature performance of LIBs, among which the electrode material is an important factor. Thus it is urgent to develop electrode materials or modify existing materials with excellent low temperature LIBs performance. Carbon-based anode is a kind of LIBs candidate. In recent years, it has been found that the diffusion coefficient of lithium ion in graphite anode decreases more obviously at low temperature, which is one of the important bottlenecks limiting its low temperature performance. However, the structure of amorphous carbon materials is complex, amorphous carbon materials have good ionic diffusion properties, and its grain size, specific surface area, layer spacing, structural defects, surface functional groups and doping elements may have a greater impact on the low temperature performance of the material. In this work, the low temperature performance of LIBs is obtained by modifying the carbon-based material from the perspective of electronic modulation and structural engineering.

It is shown by numerical modelling that anisotropic diffusion can compensate and even overcome diffusion broadening - the main limiting factor of devices working at atmospheric pressure. The thickness of ion clouds coming out of the ionisation chamber is reduced ~ 1000 times in the ADMA inlet increasing the resolution. This finding has a great potential that enables construction of a device with resolution close to that of currently available desktop ion separation devices – high pressure mass spectrometers, but with much lower cost of manufacture and with smaller dimensions. Comprehensive numerical modelling along with mathematical analysis of physical concepts enables reduction of the footprint and manufacturing costs. Modelling determined that the resolving power (RP) potential of the ADMA is greater than the RP of currently available on the market devices for the airport security market. The ADMA technology enables very fast detection of threats; at least 100 times faster than currently used in Ion Mobility Spectrometers (IMS). This potentially allows an increase in passenger throughput in airports.

Often, in biology, we are faced with the problem of exploring relevant unknown biological hypotheses in the form of myriads of combination of factors that might be affecting the pathway under certain conditions. For example, Brancati et al.1 observe that mutations in poliovirus receptor related protein 4 (PVRL4), encoding cell adhesion molecule nectin-4, causes Ectodermal dysplasia-syndactyly syndrome. Interaction with cad- herins also implies an influence of nectin-4 on Wnt signaling, which plays a relevant role in limb development (Brancati et al.1). However, not much work has been done to explore the relation of Wnts and PVR family. In CRC cells treated with ETC-1922159, both were found up regulated. In a recent unpublished work in Open Science Framework, Sinha2, we had the opportunity to rank these unknown biological hypotheses for both up and down regulated genes at 2nd order level after drug administration. The search engine alloted high nu- merical valued rankings to some combinations of PVR-WNT, thus indicating a possibility of high combinatorial synergy also. The in-silico derived influences can be represented graphically as - PVR w.r.t WNT with PVR <- WNT9A; and WNT w.r.t PVR with WNT-7B/9A <- PVR and WNT4 <- PVRL2; In the light of the recent findings of PVR with IFN (interferon) and the known interactions between IFN and Wnts, there might be a possibilty to explore the bridge of PVR, IFN and WNTs. The 3 fold (PVR - IFN; IFN - WNT; WNT - PVR), 2 way cross family analysis might shed light on the possible combinations that might be of import. Here, we present a 2-way cross family analysis of multiple, such in-silico ranked 2nd order synergistic combinations, after ETC-1922159 treatment of CRC cells. Via this 2-way cross family analysis, we are able to discover through majority voting, the combinations that might of interest to biologists and also derive plausible influences of components of combinations among themselves. Note that these form biological hypotheses which indicate whether a particular combination and the direction of influence within the combination, exist synergistically in CRC cells. Wet lab tests will indicate the veracity of these combinations and if proven true, will lead to further study of mechanism between the components.

The application of diffusion dialysis using various types of ion-exchange membranes for the separation of sulfuric acid and nickel sulfate has been evaluated. The process of dialysis separation of a real waste solution from an electroplating facility containing 252.3 g/L of sulfuric acid, 20.9 g/L of nickel ions and small amounts of zinc, iron, copper ions, etc. has been studied. Heterogeneous cation-exchange membrane containing sulfo groups and heterogeneous anion-exchange membranes with different thicknesses (from 145 μm to 550 μm) and types of fixed groups (4 samples with quaternary amino groups and 1 sample with secondary and tertiary amino groups) are used. The diffusion fluxes of sulfuric acid, nickel sulfate, and the total and osmotic fluxes of the solvent are determined. The use of a cation-exchange membrane does not allow separation of the components, since the fluxes of both components are low and comparable in magnitude. The use of anion-exchange membranes makes it possible to efficiently separate sulfuric acid and nickel sulfate. At the same time, the thin dialysis membrane turns out to be the most effective, as well as the membranes with quaternary amino groups, and the membrane with secondary and tertiary amino groups proved to be the least effective.

Ion channels are integral membrane proteins that facilitate the movement of ions across cell membranes, playing a key role in a range of biological processes. The high cost and time required for wet lab experiments to characterize ion channels has spurred the development of computational methods for this purpose. In our previous work, we demonstrated the effectiveness of protein language models for ion channel prediction, using a logistic regression classifier to distinguish ion channels from non-ion channels (TooT-BERT-C) and transporters from non-transporters (TooT-BERT-T). In this study, we build upon this approach by using a combination of classical machine learning classifiers and a Convolutional Neural Network (CNN) with fine-tuned representations from ProtBERT, ProtBERT-BFD, and MembraneBERT to discriminate ion channels from non-ion channels. The results of our experiments demonstrate that TooT-BERT-CNN-C, a combination of the representations from ProtBERT-BFD and a CNN, outperforms existing state-of-the-art methods for predicting ion channels, with a Matthews Correlation Coefficient (MCC) of 0.86 and an accuracy of 98.35% on an independent test set.

Lithium-ion (Li-ion) batteries are becoming more common in portable electronic devices due to their high energy density, lack of memory effect, and high charge and discharge rate capabilities. Li-ion batteries are a relatively new technology, first marketed in the early 1990s, and research and development work are ongoing to improve safety and increase capacity, charge/discharge rate, and lifetime [1]. In this paper, we review the types and characteristics of Li-ion batteries and summarize charging methods and safety considerations. Following, we design and fabricate Li-ion battery and highlight the steps of fabrication that ensure fast charge/discharge rates that give the battery more reliability and high energy density

Migraine and neuropathic pain (NP) are evocative of painful, disabling, chronic conditions which exhibit resembling symptoms and thus considered to share a common etiology. Calcitonin gene-related peptide (CGRP) has gained credit as a target for migraine management; nevertheless, the efficacy and the applicability of CGRP modifiers warrant search for more effective therapeutic targets for pain management. This scoping review overviews human studies of common pathogenic factors in migraine and NP to explore potential novel therapeutic targets. CGRP causes inflammation in the meninges; monoclonal antibodies and inhibitors target CGRP. Gluta-mate-induced hyperexcitability and subsequent sensitization are closely linked to an alteration of the tryptophan (Trp)-kynurenine (KYN) metabolic system; the Trp-KYN system may serve as a potential target. Microglial overaction is observed in migraine and NP; modifying the microglial activity may be a possible approach. Cytokine-induced inflammation is a leading hypothesis of the pathogenesis of the conditions; alleviating neuroinflammation may complement a pain-relieving armamentarium. Transient receptor potential (TRP) ion channels evoke the release of several substances; TRP ion channels may potentially emerge as new targets. The endocannabinoid system plays a major role in the pain trafficking pathway; modification of the system may open a new path toward discovery of new analgesics. Here we highlight the mechanism of those common pathogenic factors to explore therapeutic targets for innovative pain management in migraine and NP.

Microgrids offer flexibility in power generation in a way of using multiple renewable energy sources. In the past few years, microgrids become a very active research area in terms of design and control strategies. Most of the microgrids use DC/DC converters to connect renewable energy sources to the load. In this paper, the simulation model of a DC microgrid with three different energy sources (Lithium-ion battery (LIB), photovoltaic (PV) array, and fuel cell) and external variant power load is built with MATLAB/Simulink and the simulative results show that the stability of DC microgrid can be guaranteed by the proposed maximum power point controller MPPT. The three energy sources are connected to the load through DC/DC converters, one for each. This type of topology ensures protection for each energy source as well as optimum stability at the load.

Lithium rich layered oxides (LRLO) are a wide class of innovative active materials for positive electrodes in lithium-ion (LIB) and lithium-metal secondary batteries (LMB). LRLOs are over-stoichiometric layered oxides rich in lithium and manganese, with general formula Li1+xTM1-xO2, where TM is a blend of transition metals comprising Mn (main constituent), Ni, Co, Fe and others. Due to the very variable composition and the extended defectivity their structural identity is still debated among researchers being likely an unresolved hybrid between a monoclinic (mC24) and a hexagonal lattice (hR12). Once casted in composite positive electrode films and assembled in LIBs or LMBs, LRLOs can delivery reversible specific capacities above 220-240 mAhg-1, thus beyond any other available intercalation cathode material for LIBs, with mean working potential above 3.3-3.4 V vs Li for hundreds of cycles in liquid aprotic commercial electrodes. In this review we critically outline the recent advancements in the fundamental understanding of the physico-chemical properties of LRLO as well as the most exciting innovations in their battery performance. We focus in particular on the elusive structural identity of these phases, on the complexity of the reaction mechanism in batteries as well as on practical strategies to minimize or remove cobalt from the lattice while preserving the outstanding performance upon cycling.

New nanocomposite material was prepared by high pressure processing of starting glass of nominal composition NaFePO$_{4}$. Thermal, structural, electrical and dielectric properties of the prepared samples were studied by differential thermal analysis (DTA), X-ray diffraction (XRD) and broadband dielectric spectroscopy (BDS). It was demonstrated that high pressure – high temperature treatment (HPHT) led to an increase of electrical conductivity of initial glasses by 2 orders of magnitude. It was also shown that the observed effect was stronger than for lithium analogue of this material studied by us earlier. The observed enhancement of conductivity was explained by Mott’s theory of electron hopping, which is more frequent in sample after pressure treatment. The final composite consisted of nanocrystalline NASICON and alluaudite phases, which are electrochemically active in potential cathode materials for Na batteries. Average dimensions of crystallites estimated from XRD studies were between 40 and 90 nm, depending on the phase. Some new aspects of local dielectric relaxations in studied materials were also discussed. It was shown that a combination of high pressures and BDS method is a powerful method to study relaxation processes and molecular movements in solids. It was also pointed out that high-pressure cathode materials may exhibit higher volumetric capacities compared with commercially used cathodes with carbon additions.

Recently, the interest in silicon-based detectors capable of detecting single photons in the near-infrared is growing mainly due to LiDAR applications, autonomous driving in particular. Silicon single-photon avalanche diodes are one of the most interesting single-photon NIR technology available on the market, nevertheless, their efficiency is hindered by the low absorption coefficient of Si in the NIR. The idea is the integration of CMOS-compatible nanostructures, specifically, silver grating array supporting Surface Plasmons Polaritons (SPPs), to confine superficially the incoming NIR photons and therefore increase photons probability to generate an electron-hole pair. The plasmonic silver array is geometrically fine-tuned using time domain simulation software to achieve maximum detector performance at 950 nm. Then, the plasmonic silver array is integrated by means of the focused ion beam technique on the detector. Finally, the integrated detector is electro-optically characterized, demonstrating a quantum efficiency of 13 at 950 nm, 2,2 times more than the reference detector. This result suggests the production of a device capable of detecting single NIR photons, at a very low cost and compatible with CMOS, thus integrable on existing technology platforms.

The article considers a way to compare large bulks of experimental data with theoretical calculations, in which the quality of theoretical models is clearly demonstrated graphically. Published theoretical data of the three-fluid dynamic model (3FD) applied to the experimental data from heavy-ion collisions at the energy range \sqrt{s_{NN}} = 2.7 - 63 GeV are used as example of application of the developed methodology. When analyzing the results, the quantum nature of the fireball, created at heavy ion collisions, was taken into account.

Nitrogen (N) is a major limiting factor for plant growth and vegetable production. Understanding the regulatory mechanisms of N uptake, transport, and assimilation is key to improving nitrogen use efficiency in plants. Ammonium transporters (AMTs) play an important role in plant N metabolism. In this study, we isolated an important AMT1 subfamily member (BcAMT1;5) with a highly conserved signatural AMT1 subfamily motif from flowering Chinese cabbage. Based on functional complementation in yeast mutant 31019b and overexpression of BcAMT1;5 in Arabidopsis, BcAMT1;5 is a functional ammonium transporter. Tissue expression analysis showed that BcAMT1;5 was mainly expressed in roots and showed multiple N regime transcript patterns to respond to varying nutritional conditions. This was up-regulated by N-deficiency and down-regulated by supplying NH4+. The glucuronidase (GUS) activities of BcAMT1;5pro::GUS showed a similar change in response to different N conditions. Overexpression of BcAMT1;5 accelerated the growth of transgenic seedlings, increased NH4+ net influxes, and enhanced the content and accumulation of NH4+ and NO3- at low N concentrations. Additionally, it increased the transcript levels of N assimilation-related genes in shoots. These results indicate that the transcriptional regulation of BcAMT1;5 in flowering Chinese cabbage may participate in N uptake and assimilation under various N conditions.

A model for the simulation of ion beam extraction from an electron cyclotron resonance ion source is proposed. It is based on the simple fact that charged particles follow magnetic field lines. Therefore magnetic field lines are used to generate initial conditions for ray-tracing. This model reproduces in simulation experimentally obtained results. The importance of correlations in phase-space caused by the magnetic field is shown in simulation. This model also describes the physics of space-charge and its compensation in the extracted (fast) ion beam by low energy electrons. Simulation provides the possibility to test theoretical assumptions, as well as to optimize technical designs.

In the present study, the problem of the sulfuric acid recycling from spent copper plating solution was solved using a hybrid membrane technology, including diffusion dialysis and electrodialysis. A real solution from the production of copper-coated steel wire, containing 1.45 mol/L of sulfuric acid, 0.67 mol/L of ferrous sulfate and 0.176 mol/L of copper sulfate was processed. Diffusion dialysis with anion-exchange membranes was used to separate sulfuric acid and salts of heavy metals. Then purified dilute sulfuric acid was concentrated by electrodialysis. Energy consumption for sulfuric acid electrodialysis concentration at a current density of 400 A/m2 was 162 W·h/mol with current efficiency 16 %. After processing according to the hybrid membrane scheme, the solution contained 1.13 mol/L sulfuric acid, 0.077 mol/L ferrous sulfate and 0.022 mol/L copper sulfate. The resulting acid solution with a small amount of ferrous sulfate and copper sulfate met the established requirements for a copper plating bath solution and can be reused in production.

Heavy Ion Beam Probing (HIBP) diagnostic is a powerful tool for electric field studies in hot dense plasma of modern day toroidal magnetic confinement devices. On the TUMAN-3M to-kamak, the HIBP have been used in regimes with improved plasma confinement to clear up the role of radial electric field in the transition to good confinement regimes. Recently, a moderni-zation of the TUMAN-3M HIBP diagnostics was performed aiming to reconfigure it for a work with a reversed plasma current direction and improvement of overall stability of the diagnostic. The results of first measurements of plasma potential in co-NBI scenario are reported and dis-cussed.

The abundant use of lithium-ion batteries (LIBs) in a wide variety of electric devices and vehicles will generate a large number of depleted batteries, which contain several valuable metals such as Li, Co, Mn, and Ni present in the structure of the cathode material (LiMO2). The present work investigates chemical, technological, and environmental aspects in the treatment of such wastes, development of a methodology for the extraction of lithium, cobalt, nickel, manganese, and graphite by a carbochlorination pyrometallurgical process. Mixtures of cathode and anode materials (called black mass, mixed oxides of Li, Co, Ni, Mn, and graphite) from different LIBs, carbon black (as reducing agent), and CaCl2 (as chlorinating agent) were used. Non-isothermal thermogravimetric tests up to 850°C and isothermal tests at 700°C of the mixtures in an inert atmosphere were carried out. It was experimentally observed that the LiMO2-C-CaCl2 reaction takes place at 700°C. LiCl, Ni, and Co were obtained as final products, and to a lesser extent, CoO, NiO, and MnO2. CaCO3 was also obtained as a by-product. The obtained results show that carbochlorination is an efficient and effective alternative route for the extraction and recovery of metals from different LIBs, focused on the sustainability and circular economy

Ion Transport Membrane (ITM) is a well-developed technology for producing O₂ by separating air in its membrane. To decrease energy loss in air separation unit and to increase the overall efficiency of a power generation unit ITM is added with the gasification unit in this model. Ceramic materials are generally used to make ion transport membrane that produces oxygen by conducting oxygen ions at specified temperature. Potential advantages can be gained by integrating ITM technology with power generation units as 99% pure oxygen is produced from ITM. A salient comparison between ITM air separator combined with IGCC and cryogenic air separator combined with IGCC is done in this paper where the total power generation cycle remains same for both cases excluding the air separation units (ITM and cryogenic). Using ITM air separator is more beneficial compared to cryogenic air separation as ITM technology helps to improve IGCC overall efficiency and also reduces plant auxiliaries than that of power generation systems integrated with cryogenic.

In the article, the fireball formed in the collision of relativistic nuclei is considered as a quantum object. Based on this, an attempt is made to explain the difference in the measurements of hyperon yields in the two experiments - NA49 and NA57. Using the basic principles of quantum mechanics, it was shown that a fireball can have two quantum states - with and without ignited Quark-Gluon Plasma (QGP). With an increase of the collision energy of heavy ions, the probability of QGP ignition increases. At the same time, the probability of the formation of fireball without QGP ignition also remains nonzero even at nuclear collision energies that are much higher than the threshold QGP formation energy, which may be erroneously considered to be fixed and which is intensively sought in modern heavy ion accelerators. Thus, at SPS energy of heavy ion collisions \sqrt{s_{NN}} = 17.3 GeV, which is much higher than the assumed threshold energy of QGP formation in the region around or slightly above of \sqrt{s_{NN}} = 3 GeV, only half of the central collisions of heavy ions bring to the formation of a fireball consisted of deconfined matter (quarks and gluons), the remaining half of the collisions lead to the formation of a fireball from only hadronic matter (mesons, nucleons, hyperons etc.).

As one of the critical state parameters of the battery management system, lithium battery state of charge (SOC) can provide an essential reference for battery safety management, charge/discharge control, and energy management of electric vehicles. To analyze the application of deep learning in electric vehicle power battery SOC estimation, this study reviewed the technical process, common public datasets, and the neural networks used, structural characteristics, advantages and disadvantages of lithium battery SOC estimation in deep learning method. First, the specific technical processes of the deep learning method for SOC estimation were analyzed, including data collection, data preprocessing, feature engineering, model training, and model evaluation. Secondly, the current commonly and publicly used lithium battery dataset was summarized. Then, the input variables, data sets, errors, and advantages and disadvantages of four types of deep learning methods, were concluded using the structure of neural network used for training as the classification criterion. Finally, the challenges and future development directions of lithium battery SOC estimation in deep learning method were explained.

For more than twenty years chemists use peptidic organocatalysts to transfer acyl groups onto alcohols. The goal was and still is the increase of selectivity towards the substrate of choice. One carefully designed example is a highly enantioselective tetrapeptide organocatalyst for the kinetic resolution of trans-cycloalkane-1,2-diols. Until now, the intermediate responsible for the acyl transfer of this tetrapeptide has never been directly observed. It was proposed computationally that a π-methylhistidine moiety is acylated as an intermediate step in the catalytic cycle. In this study we set out to investigate whether we can detect and characterize this key intermediate using NMR-spectroscopy and mass spectrometry. Different mass spectrometric experiments using a nano-ElectroSpray Ionization (ESI) source and tandem MS-techniques allowed the identification of tetrapeptide acylium ions using different acylation reagents. The complexes of trans-cyclohexane-1,2-diols with the tetrapeptide were also detected. Additionally, we were able to detect acylated tetrapeptides in solution using NMR-spectroscopy and monitor the acetylation reaction of a trans-cyclohexane-1,2-diol. These findings are important steps towards the understanding of this organocatalyst and its high enantioselectivity.

We present a compact polarimeter for 3He ions with special emphasis on the analysis of short-pulsed beams accelerated during laser-plasma interactions. We discuss the specific boundary conditions for the polarimeter, such as the properties of laser-driven ion beams, the selection of the polarization-sensitive reaction in the polarimeter, the representation of the analyzing-power contour map, the choice of the detector material used for particle identification, as well as the production procedure of the required deuterated foil-targets. The assembled polarimeter has been tested using a tandem accelerator delivering unpolarized 3He ion beams, demonstrating good performance in the few-MeV range. The statistical accuracy and the deduced figure-of-merit of the polarimetry are discussed, including the count-rate requirement and the lower limit of accuracy for beam-polarization measurements at a laser-based ion source.

Two mononuclear Ru(III) complexes of formula trans-[RuCl4(Hgua)(dmso)]·2H2O (1) and trans-[RuCl4(Hgua)(gua)]·3H2O (2) [Hgua = protonated guanine (gua), dmso = dimethyl sulfoxide] have been synthesized and characterized magnetostructurally. Compounds 1 and 2 crystallize in the monoclinic system with space groups P21/n and Pc, respectively. Each Ru(III) ion in 1 and 2 is six-coordinate and bonded to four chloride ions and one (1) or two (2) nitrogen atoms from guanine molecules and one sulfur atom (1) of a dmso solvent molecule, generating quasi regular octahedral geometries in both cases. In their crystal packing, the Ru(III) complexes are self-assembled mainly through an extended network of N-H⋯Cl hydrogen bonds and π⋯Cl type intermolecular interactions, forming novel supramolecular structures based on this paramagnetic 4d metal ion. Variable-temperature dc magnetic susceptibility measurements performed on microcrystalline samples of 1 and 2 show a different magnetic behavior. While 1 is a ferromagnetic compound at low temperature, 2 exhibits a behavior typical of noninteracting mononuclear Ru(III) complexes with S = 1/2. Ac magnetic susceptibility measurements reveal slow relaxation of the magnetization in the presence of external dc fields only for 2, hence indicating the occurrence of field-induced single-ion magnet (SIM) phenomenon in this mononuclear guanine-based Ru(III) complex.

In this work, polyacrylic acid-functionalized MCM-41 was synthesized, which was further interacted with calcium ions, to realize enhanced pH-responsive nanocarrier for sustained drug release. First, mesoporous silica nanoparticles (MSNs) were prepared by the sol-gel method. Afterward, (3-trimethoxysilyl)propyl methacrylate (TMSPM) modified surface was prepared by using the post-grafting method, then polymerization of acrylic acid was proceeded. After adding calcium chloride solution, polyacrylic acid-functionalized MSNs with calcium-carboxyl ionic bonds in the polymeric layer, which can prevent the cargo from leaking out of the mesopore, were prepared. The structure and morphology of the modified nanoparticles (PAA-MSNs) were characterized by X-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, transmission electron microscopy (TEM), and N2 adsorption-desorption analysis, etc. The controlled release of guest molecules was studied by using 5-fluorouracil (5-FU). The drug molecules-incorporated nanoparticles showed different releasing rates under different pH conditions. It is considered that our current materials have the potential as pH-responsive targeted nanocarriers in the field of medical treatment.

Expression levels of Cav3.2, BKCa, and anoctamin 1 were previously found to be significantly elevated in patients with chronic kidney disease–associated pruritus (CKD-aP). On the other hand, the expression of TRPV1 was significantly reduced. We further compared CKD patients with and without CKD-aP in terms of the expression levels of several ion channels in the skin, including in peripheral nerve endings。Based on CKD-aP severity, subjects were divided into two groups: non-CKD-aP (no or slight pruritus; n = 16) and CKD-aP (mild, moderate, or severe pruritus; n = 16). Skin samples were obtained from the forearm or elbow during arteriovenous fistula surgery. We used quantitative real-time polymerase chain reaction to measure the skin expression levels of the following ion channels in the skin: Nav1.7, Kv7.2, TREK1, HCN2, TrkA, and Piezo2.　RT-PCR analyses showed that CKD-aP patients had significantly higher levels of TREK1 and Piezo2 transcripts and significantly lower levels of HCN2 transcripts than non–CKD-aP patients. No significant differences were noted between groups in the expression of Nav1.7 or TrkA. Moreover, Kv7.2 transcripts were not detected in either group. In skin samples collected from CKD-aP patients, ion channel expression patterns were altered to enhance hyperpolarization of pruriceptive neurons.

This paper focuses on the comparative analysis of lithium-ion batteries (LIB) thermal management with aim to maintain working temperature in the range 15 ℃ – 35 ℃. This is to prevent thermal runaway and high temperature gradients. The proposed approach is to employ the biodiesel, situated inside the diesel/LIB powered hybrid electric vehicle, to supply as fuel and coolant. A 3S2P LIB module is simulated using Ansys-Fluent CFD software tool. The system without a coolant shows that LIB has exceeded the optimum maximum temperature, which leads to shortened life-cycle and poor performance. Four fatty acid methyl ester biodiesels are used as coolants, namely palm, karanja, jatropha, and mahua oils. When compared with conventional methods of cooling, using air and 3M Novec liquid, the palm biodiesel coolant proves to be the best option to maintain LIB temperature within the optimum working range. With the use of palm biodiesel, the system is estimated to lightweight the BTMS by 43%, compared to the case when 3M Novec is used to maintain the same temperature range.

All living cells maintain a charge distribution across their cell membrane (membrane potential) by carefully controlled ion fluxes. These bioelectric signals regulate cell behavior (such as migration, proliferation, differentiation) as well as higher-level tissue and organ patterning. Thus, voltage gradients represent an important parameter for diagnostics as well as a promising target for therapeutic interventions in birth defects, injury, and cancer. However, despite much progress in cell and molecular biology, little is known about bioelectric states in human stem cells. Here, we present simple methods to simultaneously track ion dynamics, membrane voltage, cell morphology, and cell activity (pH and ROS), using fluorescent reporter dyes in living human neurons derived from induced neural stem cells (hiNSC). We developed and tested functional protocols for manipulating ion fluxes, membrane potential, and cell activity, and tracking neural responses to wounding and re-innervation in vitro. Finally, using morphology sensor, we tested and quantified the ability of physiological actuators (neurotransmitters and pH) to manipulate nerve wound re-innervation. These methods are not specific to a particular cell type and should be broadly applicable to the study of bioelectrical controls across a wide range of combinations of models and endpoints.

Li4Ti5O12 (LTO) exhibits zero-strain behavior, exceptional cycle stability, low cost, and high safety. However, it is still low in electronic and ionic conductivity. Incorporating Sn into LTO materials can increase electronic conductivity and specific capacity. However, Sn still experiences volumetric expansion during the charging/discharging process. Adding activated carbon (AC) into the LTO/Sn composite can help improve the expansion resistance and electronic conductivity. In this work, the AC was first synthesized from charcoals through the carbon activation process and mixed with LTO precursors through the sol-hydrothermal method followed by mixing with Sn through the mechanochemical process to produce LTO@AC/Sn composites. The Sn content was fixed at 15 wt.%, while the AC contents were varied at 1 wt.%, 3 wt.%, and 5 wt.%. The AC specific surface area is increased by more than 100% compared to the non-activated one. The best effects of AC on grain morphology and distribution were found in the LTO/Sn contained 3 wt.% of AC, leading to transfer resistance, ohmic resistance, specific capacity, and coulombic efficiency were found to be 48.1 Ω, 8.5 Ω, 138 mAhg-1, and near 100%, respectively. The result suggests that the LTO@AC/Sn could be a favorable anode active material in lithium-ion batteries.

Strained layer superlattice (SLS) material system is being considered for large format, small-pitch and low-cost focal plane arrays for different applications. To address difficulties associated to focal plane arrays fabrication arising from mesa-isolation etching or complex surface treatment/ passivation process, planar structures have been considered. In this work, the recent progress on planar SLS photodetector using ion-implantation for device isolation is presented. The devices are presented here are nBn and pBn heterostructure InAs/InAsSb SLS photodetector, where Zn and Si were chosen as the ion implants, respectively. The electrical and optical performance of the devices were compared along with comparison with mesa-etched device, to give deeper view of the device performance.

Lithium batteries and an increasing focus on CO₂ reduction have become an integral part of daily life and business for many people. Boron and boron compounds have been widely studied together in the history and development of lithium batteries. With a broad examination of battery components and systems but a boron-centric approach to raw materials, this review seeks to summarize past and recent studies on the following: which boron compounds are studied in lithium battery, in which parts of lithium batteries, what improvements are offered for battery performance, and what improvement mechanisms can be explained. The uniqueness of boron and its extensive application beyond batteries contextualizes the interesting similarity with studies on batteries. The paper predominantly focuses on lithium-ion batteries (LIBs) but also mentions other lithium batteries. At the end, the article aims to predict prospective trends for future studies that may lead to the successful and extensive use of boron compounds on a commercial scale.

Bioglasses are highly adoptable bone substitute materials, which can be combined with so-called therapeutic ions. These ions have shown to influence underlying molecular processes of the bone regeneration cascade. Moreover, it is known that bone substitutes induce an immune reaction within their implantation area involving macrophages and their pro- and anti-inflammatory subtypes dependent on their chemical composition. However, only poor knowledge exists regarding the influence of therapeutic ions onto the immune reactions and the associated bone healing. Thus, the aim of this work was to investigate the influence of strontium- and copper-doped bioglasses on the induction of M1- and M2-macrophages as well as the implant bed vascularization. (2) Methods: For this study, two alkali glasses were produced on basis of ICIE-16 bioglass via the melt-quench route with the addition of 5 wt% copper or strontium (ICIE16-Cu and ICIE16-Sr). Pure ICIE16 and 45S5 bioglasses were used as control materials. The bioactivity (ion release), chemical composition and the surface pattern were investigated, as well as an in vivo experiment was performed using the subcutaneous implantation model in rats. (3) Results: SEM imaging showed different formations of hydroxyapatite on the surfaces of the bioglass systems after submersion in simulated body fluid. EDX analysis confirmed the doping process by showing the release kinetics. Copper-doped bioglass exhibited a higher ion release than strontium-doped bioglass. Copper induced both a low immune cell migration and triggered a low number of M1- and M2-macrophages but also of blood vessels. The strontium-containing bioactive glass induced higher numbers of M1-macrophages after 30 days. Both copper- and strontium-doped bioglasses induced comparable numbers of M2-macrophages as found in the control groups. (4) Conclusions: Bioglass doping with copper and strontium did not exhibit significant influence on the foreign body response or the implantation bed vascularization in vivo. However, the prepared bioglass systems seemed to be biocompatible.

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

The voltage-gated potassium channel KV1.3 has been recognized as a tumor marker and represents a promising new target for the discovery of new anticancer drugs. We designed a novel structural class of KV1.3 inhibitors through structural optimization of benzamide-based hit compounds and structure-activity relationship studies. The potency, and selectivity of the new KV1.3 inhibitors were investigated using whole-cell patch- and voltage-clamp experiments. 2D and 3D cell models were used to determine antiproliferative activity. Structural optimization resulted in the most potent and selective KV1.3 inhibitor 44 in the series with an IC50 value of 470 nM in oocytes and 950 nM in Ltk cells. Kv1.3 inhibitor 4 induced significant apoptosis in Colo-357 spheroids, while 14, 37, 43, and 44 significantly inhibited Panc-1 proliferation.

It is known that ammonium has a higher permeability through anion-exchange and bipolar membranes compared to K+ cation that has the same mobility in water. However, the mechanism of this high permeability is not clear enough. We develop a mathematical model based of the Nernst-Planck and Poisson equations for diffusion of ammonium chloride through an anion-exchange membrane; proton exchange reactions between ammonium, water and ammonia are taken into account. It is assumed that ammonium, chloride and OH− ions can only pass through membrane hydrophilic pores, while ammonia can also dissolve in membrane matrix fragments not containing water and diffuse through these fragments. It is found that due to the Donnan exclusion of H+ ions as coions, the pH in the membrane internal solution increases when approaching the membrane side facing distilled water. Consequently, there is a change in the principal nitrogen-atom carrier in the membrane: in the part close to the side facing the feed NH4Cl solution (pH&lt;8.8), it is the NH4+ cation, and in the part close to distilled water, NH3 molecules. The concentration of NH4+ reaches almost zero at a point close to the middle of the membrane cross-section, which approximately halves the effective thickness of the diffusion layer for the transport of this ion. When NH3 takes over the nitrogen transport, it only needs to pass through the other half of the membrane. Leaving the membrane, it captures an H+ ion from water, and the released OH− goes towards the membrane side facing the feed solution to meet the NH4+ ions. The comparison of the simulation with experiment shows a satisfactory agreement.

The membrane potential or resting potential of the neuron has been the subject of many studies. Although this theory explains the generation and maintenance of the membrane potential by direct or even facilitated diffusion, there are too many contradictions to doubt that these forces are sufficient or even at work in a process whose initial conditions are of rare complexity. The aim of this article is to show that already in the past, a competing theory has been developed whose hypothesis seems more scientifically sound. To confirm this last theory, Hirohisa Tamagawa carried out an experiment of great simplicity which makes it possible to invalidate the current theory and to question the teaching and the knowledge in Biology and Biophysics.

Numerous studies have firmly established the role of ion channels in essentially all basic cellular functions. Apart from their role in ion transport, they can form macromolecular complexes with adhesion proteins, and signaling molecules. Ion channels are not only responsible for cellular electrogenesis and excitability, but they also regulate the necessary conditions for tissue homeostasis, such as differentiation, proliferation and apoptosis. Although cancer is not officially classified as a channelopathy, it has been increasingly recognized that ion channel aberrations play an important role in virtually all cancer types. Ion channels can exert pro-tumorigenic activities due to genetic or epigenetic alterations, or as a response to molecular signals, such as growth factors, hormones, etc. Prostate cancer is the second leading cause of cancer-related death in men in the United States. Increasing evidence suggests that ion channels and pumps play a critical role in the regulation of prostate cancer cell proliferation, apoptosis evasion, migration, epithelial-to-mesenchymal transition and angiogenesis. There is also evidence suggesting that ion channels might play a role in treatment failure in prostate cancer. Hence, they represent promising targets for diagnosis, staging and treatment. Here, the role of major types of ion channels involved in the development and progression of prostate cancer were reviewed. Identifying the underlying molecular mechanisms of the pro-tumorigenic effects of ion channels, may potentially inform the development of novel therapeutic strategies to counter this malignancy.

The generation and maintenance of membrane potential is a fundamental part of Membrane Pump Theory. One of the key points of this hypothesis is based on a natural or facilitated molecular diffusion through several types of ion channels and pumps like the Na/K ATPase. Following the principles of chemistry, electrostatics and geometry, it becomes clear that ion channels cannot function in this way. The ions channels cannot by their location have both a filter function and be ion concentrators, and the Na/K pump by its position in the membrane and by the proposed assumptions is not able to perform its regulatory function. The current model must absolutely be revised according to the current state of our knowledge and allow an advance in the understanding of the phenomena opening new research perspectives.

Tri-dimensional (3D) cell aggregates or spheroids are considered to be closer to physiological conditions than traditional 2D cell culture. Mesenchymal stem cells (MSCs) assembling in spheroids have increased the survival of transplanted cells. The regulation of the biological processes that maintain crucial physiological reactions of MSCs is closely related to the functioning of ion channels. The pattern of expression, role and regulatory mechanisms of ion channels could be significantly different in 3D compared to 2D culture, and, thus, needed to be properly analyzed on the level of ionic currents. We developed a specific approach that allowed us to register, for the first time, endogenous ion channels in endometrial MSCs (eMSCs) assembled in spheroids. Particularly, using the single-channel patch-clamp technique, we have recorded the activity of ion channels and observed their functional interplay in mechanosensitive clusters. Our experimental protocol could be applied for identification and studying of ion channels in 3D cell cultures.

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

During the last decades, zebrafish (Danio rerio) has become one of the most important model organisms to study different physiological and biological phenomena. Research field of carbonic anhydrases (CAs) and carbonic anhydrase related proteins (CARPs) is not an exception in this. The best-known known function of CAs is the regulation of acid-base balance. However, studies performed with zebrafish, among others, have revealed important roles for these proteins in many other physiological processes, some of which have been unpredicted in the light of the previous studies and suggestions. Examples are roles in zebrafish pigmentation as well as motor coordination. Disruption of the function of these proteins may generate even lethal outcomes. In this review, we summarize the current knowledge of CA-related studies performed in zebrafish.

Human pluripotent stem cells (hPSCs) have widespread potential biomedical applications. There is a need for large-scale in vitro production of hPSCs, and optimal culture methods are vital in achieving this. Physiological oxygen (2% O2) improves key hPSCs attributes, including genomic integrity, viability, and clonogenicity, however, its impact on hPSC metabolism remains un-clear. Here, Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS) was used to detect and quantify metabolic Volatile Organic Compounds (VOCs) in the headspace of hPSCs and their differentiated progeny. hPSCs were cultured in either 2% O2 or 21% O2. Media was collected from cell cultures and transferred into glass bottles for SIFT-MS measurement. The VOCs acetaldehyde and dimethyl sulfide (DMS)/ethanethiol were significantly increased in undifferentiated hPSCs compared to their differentiating counterparts, and these observations were more apparent in 2% O2. Pluripotent marker expression was consistent across both O2 concentrations tested. Transcript levels of ADH4, ADH5, and CYP2E1, encoding enzymes involved in converting ethanol to acetaldehyde, were upregulated in 2% O2, and chemical inhibition of ADH and CYP2E1 decreased acetaldehyde levels in hPSCs. Acetaldehyde and DMS/ethanethiol may be indicators of altered metabolism pathways in physiological oxygen culture conditions. The identification of non-destructive biomarkers for hPSC characterization has the potential to facilitate large-scale in vitro manufacture for future biomedical application.

Shot peening has become a well-established technique for the introduction of beneficial compressive Residual Stresses (RS) into the near-surface layers of metallic materials for the purpose of preventing or suppressing fatigue crack nucleation and growth. Ti-alloys are widely used to fabricate compressor blades of aeroengines. Titanium blades that may be susceptible to different modes of damage under cyclic loading (high cycle fatigue, fretting fatigue) are often subjected to shot peening to extend their safe operating time. The control and monitoring of residual stresses in titanium blades is of great importance to assure the safety of aeroengines. The techniques for residual stress evaluation include mechanical methods (material removal) as well as physical methods such as X-ray diffraction. Perhaps the most common and practically accessible form of the latter is the method. Conventional laboratory X-ray diffractometers typically probe samples to the depths up to ~20 µm that correspond to 1x...5x the average grain size for typical metals and alloys. The limitations of the method have been identified and reviewed in the literature, motivating the use of other semi-destructive approaches to evaluate the residual stresses in deeper layers and at more sharply defined locations. In the present report we present a case study of the comparison between non-destructive and semi-destructive evaluation techniques, namely the X-ray diffraction method against the mechanical and FIB-DIC ring-core drilling applied to the samples of VT6 (Russian designation of Ti-6Al-4V) titanium alloy after shot peening with 1 mm steel balls. Mechanical drilling of circular holes of ~2 mm diameter with laser speckle interferometry monitoring of strains gives a rough spatial resolution of a few millimeters, while the Korsunsky FIB-DIC method of Ga-ion beam micro-ring core milling within FIB-SEM with Digital Image Correlation (DIC) deformation analysis delivers spatial resolution down to a few micrometers. Good agreement has been found between the X-ray and FIB-DIC estimates of RS variation profiles as a function of depth in shot peened titanium alloy samples. Some advances in the FIB-DIC method are presented and discussed in terms of the acceleration of data acquisition and interpretation.

Using an original method for measuring weak radiothermal electromagnetic signals, experimental data were obtained on the analysis of dispersions of noise attractors of the radiobrightness temperature of aqueous solutions of NaCl, Al (NO₃)₃ at dilutions C1 (1:100) – C12 (12:100). The values of dispersions of noise attractors significantly differ from those for the control experiment with water. On the basis of the changed values of the noise attractors of the radiobrightness temperature, the values of the absorption coefficients of the solutions are calculated. The difference between the values of the solutions absorption coefficients and those for water is shown with a successive increase in their values with an increase in the degree of dilution. The difference between the values of the absorption coefficients of solutions of high dilutions and those for water is interpreted as a mechanism of cooperative interaction of ions with water molecules located outside the first hydration shell. A network of water molecules perturbed by ions contributes to the dielectric permittivity was obtained due to new properties at supramolecular interactions on the basis of dispersion interaction.

Ion-exchange membranes (IEMs) are widely used in desalination, waste water treatment, food, energy production and other applications. There is a strong demand for cost-effective IEMs characterized by high selective transport of ions of a certain sign of charge. In this paper, we simulate the experimental results of V. Sarapulova et al. (IJMS 2021) on the modification of an inexpensive anion-exchange membrane (CJMA-7, Hefei Chemjoy Polymer Materials Co. Ltd., China) with a perfluorosulfonated ionomer (PFSI). The modification was made in several stages including keeping the membrane at a low temperature, applying a PFSI solution on its surface, and subsequent drying it at an elevated temperature. We apply the known microheterogeneous model with some new amendments to simulate each stage of the membrane modification. It has been shown that the PFSI film formed on the membrane-substrate does not affect significantly its properties due to the small thickness of the film (4 m) and similar properties of the film and substrate. The main effect is caused by the fact that PFSI material “clogs” the macropores of the CJMA-7 membrane, thereby blocking the transport of coions through the membrane. In this case, the membrane microporous gel phase, which has a high selectivity to counterions, remains the primary pathway for both counterions and coions. Due to the above modification of the CJMA-7 membrane, the coion (Na+) transport number in the membrane equilibrated with 1 M NaCl solution decreased from 0.11 to 0.03. Thus, the modified membrane becomes comparable in its transport characteristics with more expensive IEMs available on the market.

Electric Vehicles (EVs) are the need of the hour due to growing climate change problems linked with the transportation sector. Battery Thermal Management System (BTMS), which is accountable for certifying safety and performance of lithium-ion batteries (LiB), is the most vital part of an EV. LiB has auspicious gravimetric energy density but the heat generation due to chemical reactions inside a LiB during charging and discharging causes temperature rise which has a direct effect on LiB performance and safety. This study specifically focuses on aircooled BTMS, defines different types of air-cooled BTMS (active and Passive), discusses limitations associated with air-cooled BTMS, and investigates different optimization techniques and parameters to improve performance of air-cooled BTMS. Maintaining temperature within optimum range and uniform temperature distribution between cells of a battery pack are the major design parameters for improving the performance and efficiency of air-cooled BTMS. Various optimization techniques including cell arrangement with a battery pack, air-flow channel optimization, and air inlet/outlet position variations are discussed and each technique is thoroughly reviewed. Finally, it’s noted that passive air-cooled BTMS is not that effective for long-distance vehicles so most researchers shifted their focus toward active air-cooled BTMS. Active air-cooled BTMS requires a lot of power for effective performance. Lastly, the most recent field of air-cooled BTMS technology which is Air-Hybrid BTMS is discussed and declared a very promising solution for overcoming major limitations associated with air-cooled BTMS.

Li₇La₃Zr₂O₁₂Solid-state reaction was used for Li₇La₃Zr₂O₁₂ material synthesis from Li₂CO₃, La₂O₃ and ZrO₂ powders. Phase investigation by XRD, SEM and EDS methods of Li₇La₃Zr₂O₁₂ were carried out. The molar heat capacity of Li₇La₃Zr₂O₁₂ at constant pressure in the temperature range 298-800 K should be calculated as Cp,m = 518.135+0.599 × T - 8.339 × T−2, where T is absolute temperature, . Thermodynamic characteristics of Li₇La₃Zr₂O₁₂ were determined as next: entropy S0298 = 362.3 J mol-1 K-1, molar enthalpy of dissolution ΔdHLlZO = ˗ 1471.73 ± 29.39 kJ mol−1, the standard enthalpy of formation from elements ΔfH0 = ˗ 9327.65 ± 7.9 kJ mol−1, the standard Gibbs free energy of formation ∆f G0298 = ˗9435.6 kJ mol-1.

Considering the ever-increasing role of rare-earth elements (REE) in the modern hi-tech field, their effective use has a tremendous significance, although the production process is inevitably linked to the large volumes of industrial ammonia effluents and heavy metal wastes. In the process of metallurgical separation of metals, the emission of large volumes of noxious gases and radioactive substances is inevitable. Lean technogenic raw material processing is sensible under the condition of the development of non-waste technology. The lack of competent regulations governing the disposal of waste containing REE has an impact on adjacent territories, accumulating in water bodies and, as a result, in the human body. Such an impact cannot pass without a trace, however, the ambiguity of opinions in the scientific community regarding the toxic effects of REE on living organisms determines the relevance of a more detailed study of this issue. The paper presents experimental and theoretical results of studies of ion flotation in the aqueous solutions containing ytterbium cations and a surfactant as a collector - sodium dodecyl sulphate (NaDS).

Although lithium-ion batteries have extensively been used in various applications because of their high energy capacity, fracture and failure, the by-products of large strains and stresses caused by fast charging and discharging need yet to be addressed. The size effects on the mechanical behavior of the nano-sized structures are significant; however, the classical elasticity theory may not consider such effects. On the other hand, surface stress theory, as a robust and potential theory, is suitable in considering size effects in nano-scale structures. Therefore, in this paper, in order to involve the surface stress effects on the fracture behavior of Li-ion batteries, the following steps are taken. Firstly, a phase-field model is used to determine the evolution of the concentration profile. Subsequently, the stress distribution is obtained by using the surface stress theory combined with chemical equations for a planar electrode. Afterward, by using the weight function method for an edge crack in the plate, the stress intensity factor is derived for all time steps and possible crack lengths during the process. It is found that with increasing phase boundary thickness parameter or decreasing phase-separation phenomenon, the surface mechanics parameters become more influential. Furthermore, in the presence of positive surface stress, the diffusion-induced stress distribution decreases, which in turn reduces the stress intensity factor. In addition, in this paper, the two states of surface stress are compared either for elastic or total strain. Concerning stresses and concentrations, the results indicate a big difference at the beginning of the deintercalation process showing, in particular, 2% for stresses, but the differences diminish gradually.

At INFN-LNS, and in collaboration with the ATOMKI laboratories, an innovative multi-diagnostic system with advanced analytical methods has been designed and implemented. This is based on several detectors and techniques (Optical Emission Spectroscopy, RF systems, Interfero-polarimetry, X-ray detectors) and here we focus on high resolution spatially-resolved X-ray spectroscopy, performed by means of a X-ray pin-hole camera setup operating in the 0.5−20 keV energy domain. The diagnostic system was installed at a 14 GHz Electron Cyclotron Resonance (ECR) ion source (ATOMKI, Debrecen), enabling high precision X-ray spectrally-resolved imaging of ECR plasmas heated by hundreds of Watts. The achieved spatial and energy resolution were 0.5 mm and 300 eV at 8 keV, respectively. We here present the innovative analysis algorithm that we properly developed for obtaining Single Photon-Counted (SPhC) images providing the local plasma emitted spectrum in a High-Dynamic-Range (HDR) mode, by distinguishing fluorescence lines of the materials of the plasma chamber (Ti, Ta) from plasma (Ar). This method allows a quantitative characterization of warm electrons population in the plasma (and its 2D distribution) which are the most important for ionization, and also to estimate local plasma density and spectral temperatures. The developed post-processing analysis is also able to remove the readout noise, that is often observable at very low exposure times (msec). The setup is now under update including fast shutters and trigger systems in order to allow simultaneously space and time-resolved plasma spectroscopy during transients, stable and turbulent regimes.

Extracellular vesicles (EVs) are cell-derived membranous particles secreted by all cell types into the extracellular milieu. EVs carry, protect, and transport a wide array of bioactive cargoes to recipient/target cells. EVs regulate physiological and pathophysiological processes in recipient cells and are important in therapeutics/drug delivery. Despite these great attributes of EVs, an efficient protocol for EV separation from biofluids is lacking. Numerous techniques have been adapted for the separation of EVs with size exclusion chromatography (SEC)-based methods being the most promising. Here, we review the SEC protocols used for EV separation, and discuss opportunities for significant improvements, such as the development of novel particle purification liquid chromatography (PPLC) system capable of tandem purification and characterization of biological and synthetic particles with near-single vesicle resolution. Finally, we identify future perspectives and current issues to make PPLC a tool capable of providing a unified, automated, adaptable, yet simple and affordable particle separation resource.

Li3FeN2 material was synthesized by two-step solid-state method from Li3N (adiabatic camera) and FeN2 (tube furnace) powders. Phase investigation of Li3N, FeN2 and Li3FeN2 were carried out. Discharge capacity of Li3FeN2 is 343 mAh g-1, that is about 44.7% of theoretic capacity. The molar heat capacity of Li3FeN2 at constant pressure in the temperature range 298-900 K should be calculated as Cp,m = 77,831 + 0,130 × T – 6,289 × T-2, where T is absolute temperature, . Thermodynamic characteristics of Li3FeN2 were determined as next: entropy S0298 = 116.2 J mol-1 K-1, molar enthalpy of dissolution ΔdHLFN = ˗ 206,537 ± 2,8 kJ mol−1, the standard enthalpy of formation ΔfH0 = ˗ 291.331 ± 5.7 kJ mol−1, entropy S0298 = 113.2 J mol-1 K-1 (Neumann-Kopp rule) and 116.2 J mol-1 K-1 (W.Herz rule), the standard Gibbs free energy of formation ∆f G0298 = ˗276,7 kJ mol-1.

Preproenkephalin (PPE) is a precursor molecule for multiple endogenous opioid peptides Leu-enkephalin (ENK) and Met-ENK, which are involved in a wide variety of modulatory functions in the nervous system. Despite the functional importance of ENK in the brain, the effect of brain-derived factor(s) on PPE expression is unknown. We report the dual effect of neural epidermal growth factor (EGF)-like-like 2 (NELL2) on PPE gene expression. In cultured NIH3T3 cells, transfection of NELL2 expression vectors induced an inhibition of PPE transcription intracellularly, in parallel with downregulation of protein kinase C signaling pathways and extracellular signal-regulated kinase. Interestingly, these phenomena were reversed when synthetic NELL2 was administered extracellularly. The in vivo disruption of NELL2 synthesis resulted in an increase in PPE mRNA level in the rat brain, suggesting that the inhibitory action of intracellular NELL2 predominates the activation effect of extracellular NELL2 on PPE gene expression in the brain. Biochemical and molecular studies with mutant NELL2 structures further demonstrated the critical role of EGF-like repeat domains in NELL2 for regulation of PPE transcription. These are the first results to reveal the spatio-specific role of NELL2 in the homeostatic regulation of PPE gene expression.

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

Oleraceins are a class of indoline amide glycosides found in Portulaca oleracea L. (Portulacaceae), or purslane. These compounds are characterized with 5,6-dihydroxyindoline-2-carboxylic acid N-acylated with cinnamic acid derivatives, and many are glucosylated. Herein, hydromethanolic extracts of the aerial parts of purslane were subjected to UHPLC-Orbitrap-HRMS analysis, conducted in negative ionization mode. Diagnostic ion filtering (DIF), followed by diagnostic difference filtering (DDF), were utilized to automatically filter out MS data and select plausible oleracein structures. After an in-depth MS2 analysis, a total of 51 oleracein compounds were tentatively identified. Of them, 26 had structure matching one of already known oleraceins and the other 25 are new, undescribed in the literature structures, belonging to the oleracein class. Moreover, diagnostic fragment ions were selected, based on which clustering algorithms and visualizations were employed. As we demonstrate, clustering methods can provide valuable insights into the mass fragmentation elucidation of natural compounds in complex mixtures.

Membrane transporters (MTs) are mainly localized at the plasma membrane (PM), tonoplast and vacuolar membrane (VM) of cells in all plant organs. Their work is to maintain the cellular homeostasis by controlling ionic movements across PM channels from roots to upper plant parts, xylem loading and remobilization of sugar molecules from photosynthesis tissues in the leaf (source) to roots, stem and seeds (sink) via phloem loading. The plant’s whole source-to-sink relationship is regulated by multiple transporting proteins in a highly sophisticated manner and driven based on different stages of plant growth and development (PG&D), and environmental changes. The MTs play a pivotal role in PG&D in terms of increased plant height, branches/tiller numbers, enhanced numbers, length and filled panicles per plant, seed yield and grain quality. Dynamic climatic changes disturbed the ionic balance (salt, drought and heavy metals) and sugar supply (cold and heat stress). Due to poor selectivity, some of the MTs also uptake toxic elements in the roots that negatively impact on PG&D, later on also exported to upper parts and then deteriorate the grain quality. As an adaptive strategy, in response to salt and HMs plants activated PM and VM localized MTs that export toxic elements into vacuole, and also translocate in the root’s tips and shoot. However, in case of drought, cold and heat stresses, MTs increased the water and sugar supply to all organs. In this review, we mainly reviewed recent literature from Arabidopsis, halophytes, and major field crops such as rice, wheat, maize and oilseed rape to argue on the global role of MTs in PG&D and abiotic stress tolerance. We also discussed the gene expression level changes and genomic variations within a species as well as within a family in response to developmental and environmental cues.

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

In this manuscript, we reassess the data on beta-amyloid-induced changes of intracellular ions concentrations published previously by Abramov et al. (2003, 2004). Their observations made using high-resolution confocal microscopy with fast temporal resolution of images formed by fluorescent ion-sensitive fluorescent probes in living cells represent an unequivocal support for the amyloid channel theory. However, closer look reveals multiple facts which cannot be explained by channel formation in plasma membrane. Recently proposed amyloid degradation toxicity hypothesis provides the interpretation to these facts by considering that channels are formed in the lysosomal membranes.

Ag+ pollution is great of harm to the human body and the biology. Therefore, it is an urgent need to develop inexpensive and accurate detection methods. Herein, lignin-derived structural memory carbon nanodots (CSM-dots) with outstanding fluorescence property were fabricated via a green method, which reserve functional and structural units of the precursor molecules. The CSM-dots could specifically bind Ag+, accompanied with a remarkable fluorescence quenching response. This “turn-off” fluorescence behavior was used for Ag+ determination in a linear range of 5-290 μM with the detection limit as low as 500 nM. Furthermore, the finding showed that this sensing nano-platform was successfully used for Ag+ determination in real samples and intracellular imaging, showing great potential in biological and environmental monitoring applications.

Vertically aligned Fe, S, and Fe-S doped anatase TiO₂ nanotube arrays are prepared by electrochemical anodization process using an organic electrolyte in which lactic acid is added as an additive. In the electrolyte, nanotube layers of greater length (12 μm) and high order with inner diameter of approx. 90 nm and outer diameter of approx. 170 nm are achieved. Doping of Fe, S, and Fe-S via simple wet impregnation method substituted Ti and O sites with Fe and S, which leads to enhance the rate performance at high discharge current densities. Discharge capacities of TiO₂ tubes increased from 82 mAh g-1 (bare) to 165 mAh g-1 for Fe-S doped TiO₂ at high current densities of 0.3 mAcm-2 after 100 cycles with exceptional capacity retention of 85% after 100 cycles. Owing to the enhancement of thermodynamic and kinetic properties by doping of Fe-S, Li-diffusion increas2ed resulting in remarkable discharge capacities of 143 mAh g-1 and 89 mAh g-1 at a current density of 7.4 mA cm-2 and 19 mA cm-2, respectively.

Polyaromatic hydrocarbons (PAHs) are widespread in the interstellar medium (ISM). The abundance and relevance of PAHs call for a clear understanding of their formation mechanisms, which, to date, have not been completely deciphered. Of particular interest is the formation of benzene, the basic building block of PAHs. It has been shown that ionization of neutral clusters can lead to an intra-cluster ionic polymerization process that results in molecular growth. Ab initio molecular dynamics (AIMD) studies in clusters consisting of 3–6 units of acetylene modeling ionization events under ISM conditions have shown maximum aggregation of three acetylene molecules forming bonded C6H6+ species: the larger the number of acetylene molecules, the higher the production of C6H6+. These results lead to the question of whether clusters bigger than those studied thus far promote aggregation beyond three acetylene units, and whether larger clusters can result in higher C6H6+ production. In this study, we report results from AIMD simulations modeling the ionization of 10 and 20 acetylene clusters. The simulations show aggregation of up to four acetylene units producing bonded C8H8+. Interestingly, C8H8+ bicyclic species were identified, setting precedent for their astrochemical identification. Comparable reactivity rates were shown with 10 and 20 acetylene clusters.

We present a critical analysis of the mechanism of reversible hydrogen evolution reaction based on thermodynamics of hydrogen processes considering atomic and ionic species as intermediates. Clear distinction between molecular hydrogen evolution/oxidation (H$_2$ER and H$_2$OR) and atomic hydrogen evolution/oxidation (HER and HOR) reactions is made. It is suggested that the main reaction describing reversible H$_2$ER and H$_2$OR in acidic and basic solutions is: $\ce{H3O^+} + 2e^- \xrightleftharpoons{\mathrm{({H}_{2}^{+}})_{ad}} \ce{H2} + \ce{OH^-}$, which proceeds via the formation of hydrogen molecular ion as intermediate and its potential is $E^{0}$ = 0.414~V (at the standard Hydrogen electrode SHE scale). We analyse experimentally reported data with models which provide \emph{quantitative} match (R.J.Kriek et al., Electrochem. Sci. Adv. e2100041 (2021)). The experimentally observed slope of $\lg(Current)$ vs. $Potential$ equal to $\approx 30$~mV/dec corroborates the presented model of H$_2$ER/H$_2$ER based on \ce{H2$^+$} as intermediate.

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

We report a self-assembly synthesis of silicon nanoparticles/nitrogen-doped reduced graphene oxide/ carbon nanofiber (Si@N-doped rGO/CNF) composites as potential high-performance anodes for rechargeable lithium-ion batteries (LIB) through the electrostatic attraction between amino and carboxyl groups. Nitrogen atoms generate a large number of vacancies or defects on the graphite plane, providing additional transmission channels for the diffusion of lithium ions, and improving the conductivity of the electrode. Carbon nanofiber (CNF) can help maintain the stability of the electrode structure and prevent silicon nanoparticles from falling off the electrode, prevent silicon nanoparticles from being directly exposed to the electrolyte, and can form a stable solid electrolyte interface (SEI) film. The three-dimensional conductive structure composed of Si, nitrogen atom-doped reduced graphene oxide (N-doped rGO), and CNF can effectively buffer the volume changes of silicon nanoparticles, shorten the transmission distance of lithium ions (Li+) and electrons, and make the electrode have good conductivity and stability in mechanical properties. In addition, compared with the Si@N-doped rGO and Si/rGO/CNF composite electrode, the Si@N-doped rGO/CNF composite electrode shows good cycle performance and rate capability, and its reversible specific capacity can reach 1418.8 mAh/g. The capacity retention rate is 64.7%, and the coulomb efficiency is 95%.

Potential Energy Scan (PES) has already proven to be a powerful tool in computational chemistry to detect critical points in the energy path of a system, such as transition states and local minima/maxima in energy convergence. Previous studies showed a wide application of PES in many different fields of physical-chemical sciences, such as materials, supramolecular, and catalysis chemistry. Moreover, the evaluation of the basic PES algorithms at a reasonably affordable level of theory has in principle revealed good basic statistical relationships that allow further investigations in this research area. Herein, a simple and fast graphical method for accurate PES evaluation was proposed, performed at the PM7 semiempirical level of theory for catalytic systems in electrophilic aromatic substitution processes. The results presented in this case study showed a relative error ranging from 1.5 to 27.1% for most FeBr₃–electrophiloid systems. The treatment of such systems with PES algorithms led to novel iron(V) species and opened a completely new field in tandem transition metal-nonmetal catalysis, implying entirely new insights. Moreover, the basic statistical analysis showed that there are no significant outliers, and therefore it can be concluded that the graphical analysis approach can be used in further detailed treatment of PES results in the search for saddle points and prediction of transition state properties under known conditions in the DFT and MP2 functions discussed here. The novel graphical methodology has been introduced by two applied graphical methods, and its accuracy demonstrated in semiempirical methods provides solid results in view of future development and application in a wide range of chemical sciences.