Charge-dipole interactions are very common interactions among atoms and molecules, especially materials that can emit light or contain free charges. The second-order charge-dipole interactions, proportional to $\frac{1}{R^4}$, are stronger than the second-order dipole-dipole interactions or van der Waals interactions, proportional to $\frac{1}{R^6}$, at longer distances. In reality, there is more than one atom or charge; therefore, we focus on few-body charge-dipole interactions, such as charge-dipole-dipole interactions. Laser cooling and trapping allow us to study such interactions with much higher precision. In this article, charge-dipole interactions will be investigated in ultracold gases. To increase the interaction strength, we excite the ultracold atoms to highly excited states, Rydberg states. Here, we treat one Rydberg atom as a dipole, the excited electron and the ion core are the two poles of an electric dipole. Specifically, we study charge-atom interactions in ultracold Rydberg gases.

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.

The interactions of metal ions with fulvic acids resulted in changes in the particle size and charge. Particle size distribution was trimodal for fulvic acids, bimodal for fulvic complexes with calcium and magnesium, and copper-fulvic complexes had only one size fraction. The compensation of negative charge of carboxylic and phenolic functional groups by positive charged metal ions resulted in the increase in zeta potential which was getting closer to zero in the case of copper-fulvic complexes. However, all metal humic complexes behaved as colloidally unstable which resulted in visually observable sedimentation. Calorimetric measurements provided positive values of changes in enthalpy which indicated endothermic processes. In contrast quantum chemical calculations as well as experiments with model compounds provided negative values indicated exothermic processes. Changes in Gibbs energy were determined as negative and changes in entropy as positive which meant spontaneous processes.

The invariant mass of free particles is used to derive a bound-state equation for several particle atomic systems at rest. This relativistic-kinematic bound-state equation is applied to the hydrogen and helium atoms. The derived equation has the well-known solutions for the single-electron bound states of the hydrogen atom, and the two-electron states of the helium atom. For the hydrogen atom, existence of the two-particle bound states, for which the electron and the proton kinetic energies are of the same order of magnitude, is predicted. The three-particle bound states with the same feature of the kinetic energies can exist in the helium atom. Radiative operators for processes involving the hydrogen two-particle bound states, are obtained. It is discussed that these new two- and three-particle bound states should be optically inactive.

The performance of the absolute atom gravimeters used on moving platforms, such as vehicles, ships and aircrafts, is strongly affected by the vibration noise. To suppress its influence, we summarize a vibration compensation method utilizing data measured by a classical accelerometer. The measurements with the accelerometer show that the vibration noise in the vehicle can be 2 order of magnitude greater than that in the lab during daytime, and can induce an interferometric phase fluctuation with a standard deviation of 16.70π. With the compensation method, our vehicle-mounted atom gravimeter can work normally in these harsh conditions. Comparing the Allan standard deviations before and after the vibration noise correction, we find a suppression factor of 22.74 can be achieved in static condition with an interrogation time of T = 20 ms, resulting a sensitivity of 1.35 mGal/Hz1/2, and a standard deviation of 0.5 mGal with an average time of 10 s. We also demonstrate the first test of an atom gravimeter in a moving vehicle, in which a suppression factor of 50.85 and a sensitivity of 60.88 mGal/Hz1/2 were realized with T = 5 ms.

Radical reactions are powerful in the synthesis of diverse molecular scaffolds bearing functional groups. In pervious review articles, we have presented 1,2-difunctionalizations, remote 1,3-, 1,4-, 1,5-, 1,6- and 1,7-difunctionalizations, and addition followed by cyclization reactions. Presents in this paper are radical cyclization followed by the second functionalization reactions. The second functionalization could be realized by atom transfer reactions, radical or transition metal-assisted coupling reactions, and reactions with neutral molecules, cationic and anionic species.

It has been recently demonstrated that inelastic helium-atom scattering from conducting surfaces can provide a direct measurement of the surface electron-phonon coupling constant (mass-enhancement factor ) via the temperature- or the incident-energy-dependence of the Debye-Waller exponent. The analysis of previous published as well as unpublished helium atom scattering diffraction data from the vicinal surfaces of copper (Cu(11),  = 3,5,7) and aluminium (Al(221) and Al(332)) permits to extract  for this class of surfaces, suggesting an enhancement with respect to the corresponding data for the low-index surfaces (111) and (001) above a possible roughening transition temperature. The specific role of steps as compared to that of terraces is briefly discussed.

We investigate some of the fundamental features of the interaction of mixed kaleidoscope states, namely, particular statistical mixtures of coherent states, with two-level atoms in the Jaynes-Cummings model framework. We begin our analysis by calculating the von Neumann entropy of the field which is determined with help of the virtual atom method. Oscillations appear in this entropy that indicate a state of purity greater than the initial state, {it i.e.}, a purification of the initial state is achieved. In this oscillatory region, we obtain the field Wigner function that resembles Schrodinger's cats.

A new method of line shape calculations of hydrogen-like atoms in magnetized plasmas is presented. This algorithm makes it possible to solve two fundamental problems in the broadening theory: the analytical description of the radiation transition array between excited atomic states and account of a thermal ion motion effect on the line shapes formation. The solution to the first problem is based on the semiclassical approach to dipole matrix elements calculations and the usage of the specific symmetry properises of the Coulomb field. The second one is considered in terms of the kinetic treatment of the frequency fluctuation model (FFM). As the result one has a universal description of line shapes under the action of the dynamic of ion’s microfield. The final line shape is obtained by the convolution of the ionic line shape with the Voigt electron-Doppler profile. The method is applicable formally for large values of principle quantum numbers. However, it is demonstrated the efficiency of the results even for well known first members of the hydrogen Balmer series Dalpha and Dbeta. The comparison of obtained results with accurate quantum calculations is presented. The new method may be of interest for investigations of spectral line shapes of hydrogen-like ions presented in different kinds of hot ionized environments with the presence of a magnetic field, including SoL and divertor tokamak plasmas.

Surface initiated atom transfer radical polymerization (SI-ATRP) is one of the most versatile technique to modify the surface properties of material. Recent developed metal free SI-ATRP makes such technique more widely applicable. Herein photo-induced metal-free SI-ATRP of methacrylates, such as methyl methacrylate, N-isopropanyl acrylamide, and N,N- dimethylaminoethyl methacrylate, on the surface of SBA-15 was reported to fabricate organic-inorganic hybrid materials. SBA-15 based polymeric composite with adjustable graft ratio was obtained. The structure evolution during the SI-ATRP modification of SBA-15 was monitored and verified by FT-IR, XPS, TGA, BET, and TEM. The obtained polymeric composite showed enhanced adsorption ability for the model compound toluene in aqueous. This procedure provides a low cost, ready availability, and facile modification way to synthesize the polymeric composites without the contamination of metal.

Science seeks to explicate truths about our reality. But what is truth? How do we know things? Given our ignorance, and our fallibility, why should scientists be trusted? A theory of knowledge that addresses these human questions is sketched, in conversation with recent advances in thermodynamics which underline the seminal importance of unity by demonstrating (i) a definite physical meaning of the idea of “unitary entity”, (ii) the commensurability of the local and the non-local (resolving the Loschmidt Paradox), and (iii) the applicability of this entropic physics to entities at all scales, whether small (“quantum mechanical”) or large (subject to “general relativity”). Similarly, integrity is indispensable to the scientific enterprise, whether at the level of the mathematico-physical, the practising scientist, the scientific community, or the public. As a human activity aimed at touching reality, it is fundamental that the scientific enterprise necessarily also has an irreducibly poetic component. Although in principle it cannot be completely specified, this enterprise is a cluster of procedures designed to increase our understanding of the natural world. Our apprehension of knowledge is irreducibly personal, depending both on our own individual integrity as well as on the integrity of the scientific community. Believing that “reality” exists and can be grasped (however incompletely), scientists look for coherence and value unified accounts. Strictly speaking, although reality can be known truly (if only in part) the idea of “objective” knowledge is an oxymoron, even if such an idea is often a useful approximation. Knowledge is necessarily personal.

In this paper, a study was conducted on the Ramsey interference and spectral line locking techniques based on rubidium-87 cold atoms. Using sequential control technique, the timing design of a three-dimensional magneto-optical trap (MOT), cold atoms’ free fall, Ramsey microwave interference, and two-level fluorescence detection was realized, achieving the state preparation of cold atoms and clock transitions. By designing an automatic peak-finding algorithm, numerical integration was performed on the time-of-flying (TOF) signal, and narrow linewidth cold atom Ramsey interference fringes were obtained. Based on this, a frequency-hopping method was used to lock the frequency of the 10MHz oven-controlled crystal oscillator (OCXO) in a closed loop, achieving a linewidth of 38Hz. This preliminary result verifies the feasibility of the system design.

This study aims to conduct a content analysis of the postgraduate theses on the education of the concept of atom in Turkey from 2000 to 2023. The study utilized the document analysis method, a qualitative research design approach. The theses were obtained by conducting a search in the "Thesis Center" of the Council of Higher Education (YÖK). "Thesis Classification Form" and "Thesis Screening Form" were used as data collection tools. Content analysis was performed on 51 theses that were conducted between 2000 and 2023 and whose full versions were accessed. It was observed that the theses were conducted in 25 different universities, using more than one data collection tool and analysis method. It was determined that most of the theses were supervised by academicians having the title of Prof.Dr. It was determined that almost all of the theses were conducted in the form of research-studies, qualitative research approach was mostly used as the research method, quasi-experimental model was mostly used as the research model, and students were generally used as the sample group. The most widely used data collection tools in the theses were interviews and achievement tests, while t-tests and content analysis were used as analysis techniques. In the selection of thesis topics, the studies in which teaching methods were tried the most were conducted. It was determined that students had difficulty in understanding the concept of atom and had misconceptions.

Abstract: A perspective is provided which illustrates the central role of quantum mechanics in the structure and periodically varying properties of atoms and in the formation of molecules. Despite having only about one hundred basic building blocks for all substances, chemistry is a subtle discipline due to it’s fundamentally quantum mechanical origin. The atoms, and their behavior as systematized in the Periodic Table, intimately reflect mechanisms natural to quantum mechanics but foreign to classical mechanics. Given their very small mass, the electrons form atomic structures only predictable by the use of quantum mechanics. Thereby the foundation of chemistry is totally dominated by quantum effects which are generally known only empirically, e.g. as in the Periodic Table. Recently these quantum effects have increasingly become known computationally, but not necessarily understood physically and therefore still challenge students and users of chemistry. In order to provide physical insight we extract here, from known facts and relations of quantum mechanics, but without reliance on detailed mathematics or numerical analysis, a simplest, yet fully consistent, physical explanation of atomic structure and periodically variable reactivity. Atomic reactivity is found to arise due to dynamical constraints on electron motion which lead to degeneracy in the atomic energy spectrum. There is a strong correlation between energy degeneracy and reactivity with the inert gas atoms found to display no degeneracy. Chemical bonding follows as a means of atomic reactivity relaxation and reduction of energy degeneracy, achieved by permanent electron rearrangement (ionic bonding) or by oscillatory electron motion between atoms (covalent bonding). Ionic bonding is directly related to the variable stability of atomic structures which extends from neutral atoms to atomic ions. These stable ions then form molecular structures by electrostatic attraction in neutral ionic clusters. The covalent bonding mechanism is fundamentally dynamical and interatomic since it depends directly on the facility with which electrons can move between atomic centers in a molecule. Both the ionic and the covalent mechanism, interatomic displacement and oscillation of electrons, are active in any bond between atoms of different species.

We propose a method that enables precise determination of the number of atoms in a Dick-noise-free optical lattice clock, by effectively addressing quantum projection noise. Our approach relies on conducting stability measurements at three distinct parameter sets, allowing us to differentiate between quantum projection noise, photon shot noise, and technical noise. Importantly, our method enables accurate extraction of the atom number, even in the presence of photon shot noise and technical noise. To validate the effectiveness of our approach, we employ numerical simulations and optimize the modulation parameters to achieve the smallest uncertainty possible. The numerical simulations show the validity of our method and demonstrate a measurement uncertainty in the atom number that is below 4% across a wide range of atom numbers, provided that the standard deviation of atom number fluctuation is kept below 0.23 times the average atom number.

Electrocatalytic and photocatalytic hydrogen evolution reaction (HER) provides a promising approach to clean energy generation. Bimetallic single-atom catalysts raised and have been explored to be advanced catalysts for HER. It is urgent to review and summarize the recent advances in developing bimetallic single-atom HER catalysts. Firstly, the fundamentals of bimetallic single-atom catalysts are presented, highlighting their unique configuration of two isolated metal atoms on supports and resultant synergistic effects. Secondly, recent advances in bimetallic single-atom catalysts for electrocatalytic HER under acidic/alkaline conditions are then reviewed, including W-Mo, Ru-Bi, Ni-Fe, Co-Ag, and other dual-atom systems on graphene and transition metal dichalcogenides (TMDs) with enhanced HER activity versus monometallic analogs due to geometric and electronic synergies. Then, Photocatalytic bimetallic single-atom catalysts on semiconducting carbon nitrides for solar H2 production are also discussed. Finally, an outlook is provided on opportunities and challenges in precisely controlling bimetallic single-atom catalyst synthesis and gaining in-depth mechanistic insights into bimetallic interactions.

Voids in face-centered cubic (fcc) metals are commonly assumed to form by the aggregation of vacancies; however, the mechanisms of vacancy clustering and diffusion are not fully understood. In this study, we use computational modeling to provide a detailed insight into the structures and formation energies of primary vacancy clusters, mechanisms and barriers for their migration in bulk copper, and how these properties are affected at simple grain boundaries. The calculations were carried out using Embedded Atom Method (EAM) potentials and Density Functional Theory (DFT) and employed the Site-Occupation Disorder code (SOD), the Activation Relaxation Technique nouveau (ARTn) and the Knowledge Led Master Code (KLMC). We investigate stable structures and migration paths and barriers for clusters of up to six vacancies. Migration of vacancy clusters occurs via hops of individual constituent vacancies with di-vacancies having a significantly smaller migration barrier than mono-vacancies and other clusters. This barrier is further reduced when di-vacancies interact with grain boundaries. This interaction leads to the formation of self-interstitial atoms and introduces significant changes into the boundary structure. Tetra-, penta-, and hexa-vacancy clusters exhibit increasingly complex migration paths and higher barriers than smaller clusters. Finally, the direct comparison with the DFT results shows that EAM can accurately describe the vacancy-induced relaxation effects in the Cu bulk and in grain boundaries. Significant discrepancies between the two methods were found in structures with a higher number of low-coordinated atoms, such as penta-vacancies and di-vacancy absortion by grain boundary. These results will be useful for modeling the mechanisms of diffusion of complex defect structures and provide further insights into the structural evolution of metal films under thermal and mechanical stress.

Understanding the catalytic performance of different materials is of crucial importance for further technological advancements. This especially relates to the behavior of different classes of catalysts under operating conditions. Here we analyze the effects of local coordination of metal centers (Mn, Fe, Co) in graphene-embedded Single-Atom Catalysts (SACs). We have started from well-known M@N4-graphene catalysts and systematically replaced nitrogen atoms with oxygen or sulfur atom to obtain M@OxNy-graphene and M@SxNy-graphene SACs (x+y=4). We show that local coordination strongly affects the electronic structure and the reactivity towards hydrogen and oxygen species. However, the stability is even more affected. Using the concept of Pourbaix plots, we show that the replacement of nitrogen atoms coordinating metal center with O or S destabilizes SACs towards the dissolution, while the metal centers get easily covered by O and OH acting as additional ligands at high anodic potentials and high pH values. Thus, not only should local coordination be considered in terms of the activity of SACs, but it is also necessary to consider its effects on the speciation of SACs' active centers under different potential and pH conditions.

Hydrogen evolution reaction (HER) is one of the most important reaction in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is impossible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and, recently emerging, single atom catalysts for HER

Recent advances in single-atom catalysis resulted in readily accessible materials whose application in most catalytic reactions mediated by conventional nanoparticle-based catalysts often results in higher activity and selectivity. Can we expect catalysis by atomically dispersed atoms to find practical applications? Which are the hurdles to be overcome prior to widespread uptake of atomically dispersed metals in industrial synthetic processes and in hydrogen fuel cells?

Tough and antimicrobial dual-crosslinked poly((trimethylamino)ethyl methacrylate chloride)-phytic acid hydrogel (pTMAEMA-PA) has been synthesized by adding chemical crosslinker and docking physical crosslinker of multivalent phytic acid into a cationic polyelectrolyte network. By increasing the loading concentration of PA, the tough hydrogel exhibits compressive stress of >1 MPa, along with high elasticity and fatigue-resistant properties. The enhanced mechanical properties of pTMAEMA-PA were stem from multivalent ion effect of PA via the formation of ion bridges within polyelectrolytes. In addition, a comparative study for a series of pTMAEMA-counterion complexes was conducted to elaborate the relationship between swelling ratio and mechanical strength. The study also revealed secondary factors, such as ion valency, ion specificity and hydrogen bond formation, holding crucial roles in tuning mechanical properties of the polyelectrolyte hydrogel. Furthermore, in bacteria attachment and disk diffusion tests, pTMAEMA-PA exhibits superior fouling resistance and antibacterial capability. The results reflect the fact that PA enables chelating strongly with divalent metal ions, hence, disrupting the outer membrane of bacteria, as well as dysfunction of organelles, DNA and protein. Overall, the work demonstrated a novel strategy for preparation of tough polyelectrolyte with antibacterial capability via docking PA to open up the potential use of PA in medical application.

Within this work we review the metal coordination effect on the photophysics of metal dipyrrinato complexes. Dipyrrinato complexes are promising candidates in the search for alternative transition metal photosensitizers for application in photodynamic therapy (PDT). These complexes can be activated by irradiation with light of a specific wavelength, after which cytotoxic reactive oxygen species (ROS) are generated. The metal coordination allows for the use of the heavy atom effect, which can enhance the triplet generation necessary for generation of ROS. Additionally, the flexibility of these complexes for metal ions, substitutions and ligands allows the possibility to tune their photophysical properties. A general overview of the mechanism of photodynamic therapy and the properties of the triplet photosensitizers is given, followed by further details of dipyrrinato complexes described in the literature that show relevance as photosensitizers for PDT. In particular, the photophysical properties of Re(I), Ru(II), Ir(III), Ni(II), Cu(II), Pd(II), Pt(II), Zn(II), Ga(III), In(III), Al(III), Sn(II), and P dipyrrinato complexes are discussed. The potential for future development in the field of (dipyrrinato)metal complexes is addressed and several new research topics are suggested throughout this work. We propose that significant advances could be made for heteroleptic bis(dipyrrinato)zinc(II) and homoleptic bis(dipyrrinato)palladium(II) complexes and their application as photosensitizers for PDT.

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.

An experimental platform for laser-driven ion (sub-MeV) acceleration and potential applications was recently commissioned at the HiLASE laser facility. The auxiliary beam of the Bivoj laser system operating at GW peak power (~10 J in 5-10 ns) and 1-10 Hz repetition rate enabled a sta-ble production of high-current ion beams of multiple species (Al, Ti, Fe, Si, Cu, Sn). The pro-duced laser-plasma ion sources were fully characterized against the laser intensity on target (1013-1015 W/cm2) by varying the laser energy, focal spot size, and pulse duration. This al-lowed to provide accurate scaling laws of the maximum ion energy for the different target ma-terials investigated. Such experimental scaling laws are presented for the first time in the inves-tigated laser intensity range and for ns-class laser pulses, and allow to provide a qualitative in-terpretation of the laser-plasma interaction underpinning physics, thus to tune the main features of the accelerated ion beams (energy, temperature, and current). Such a detailed study was facil-itated by the large amount of data acquired at high repetition rate (1-10 Hz) provided by the Bivoj laser system. The versatility and tuneability of such high-repetition-rate laser-plasma ion sources are of po-tential interest for multidisciplinary user applications.

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 this study, we once again use a set of Fibonacci-like sequences to examine the symmetries within the genetic code. This time, our focus is on the physiological state of the amino acids, considering them as charged, in contrast to our previous work where they were seen as neutral. In a pH environment around 7.4, there are four charged amino acids. We utilize the properties of our sequences to accurately describe the symmetries in the genetic code table. These include Rumer’s symmetry, the third-base symmetry and the "ideal" symmetry, along with the "supersymmetry" classification schemes. We also explore the special chemical structure of the amino acid proline, presenting two perspectives—shCherbak’s view and the Downes-Richardson view, which perspectives are included in the description of the above-mentioned symmetries. Our investigation employs also elementary modular arithmetic to precisely describe the chemical structure of proline, connecting the two views seamlessly. Finally, our Fibonacci-like sequences prove instrumental in quickly establishing the multiplet structure of non-standard versions of the genetic code. We illustrate this with an example, showcasing the efficiency of our method in unraveling the complex relationships within the genetic code.

Point defect-based single-photon emitters (SPEs) in GaN have aroused a great deal of interest due to their room-temperature operation, narrow line width and high emission rate. The room-temperature SPEs at the telecommunication bands have also been realized recently by localized defects in GaN in experiments, which are highly desired for the practical applications of SPEs in quantum communication with fiber compatibility. However, the origin and underlying mechanism of the SPEs remain unclear to date. Herein, our first-principle calculations predict and identify an intrinsic point defect NGa in GaN that owns a zero-phonon line (ZPL) at telecommunication windows. By tuning the triaxial compressive strain of the crystal structure, the ZPL of NGa can be modulated from 0.849 eV to 0.984 eV, covering the fiber telecommunication windows from the O band to the E band. Besides the ZPL, the formation energy, band structure, transition process and lifetime of the SPEs under different strains are investigated systematically. Our work gives insight into the emission mechanism of the defect SPEs in GaN and also provides effective guidance for achieving wavelength-tunable SPEs working in fiber telecommunication windows.

Although cofactor regeneration is an established system in biocatalysis, work remains in developing new and alternative cofactor regeneration systems with greater efficiency, ease of use, and higher atom economy. In addition, cofactor regeneration system only works if the cofactor regeneration reaction operates at similar kinetics compared to the biotransformation reaction. This meant that only specific cofactor regeneration system is capable of coupling with particular biotransformation reaction. This then leaves open the field for the development of a plethora of alternative cofactor regeneration systems each capable of coupling with different biotransformation reaction of different kinetics. This short write-up examines the possibility of tapping on the NADH regenerated from a two-step ethylene glycol utilization pathway. Current knowledge suggests that this angle has not been explored; thereby, opening up possibilities for future experimental investigations into the feasibility of coupling ethylene glycol utilization pathway with biotransformation reaction as a coupled cofactor regeneration system.

In this paper only one basic assumption has been made: if we try to describe black holes, their behavior should be understood in the same language as the one we use for particles; black holes should be treated just like atoms. They must be quantum forms of matter, moving in accordance with Schrödinger equations just like everything else. In particular, Rosen’s quantization approach to the gravitational collapse is applied in the simple case of a pressureless “star of dust” by finding the gravitational potential, the Schrödinger equation and the solution for the collapse’s energy levels. By applying the constraints for a Schwarzschild black hole (BH) and by using the concept of BH effective state, previously introduced by one of the authors (CC), the BH quantum gravitational potential, Schrödinger equation and the BH energy spectrum are found. Remarkably, such an energy spectrum is in agreement (in its absolute value) with the one which was conjectured by Bekenstein in 1974 and consistent with other ones in the literature. This approach also permits to find an interesting quantum representation of the Schwarzschild BH ground state at the Planck scale. Moreover, two fundamental issues about black hole quantum physics are addressed by this model: the area quantization and the singularity resolution. As regards the former, a result similar to the one obtained by Bekenstein, but with a different coefficient, has been found. About the latter, it is shown that the traditional classical singularity in the core of the Schwarzschild BH is replaced, in a full quantum treatment, by a two-particle system where the two components strongly interact with each other via a quantum gravitational potential. The two-particle system seems to be non-singular from the quantum point of view and is analogous to the hydrogen atom because it consists of a “nucleus” and an “electron”.

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.

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.

With a longer-term goal of addressing the comparative behavior of the aqueous halides F$^-$, Cl$^-$, Br$^-$, and I$^-$ on the basis of quasi-chemical theory (QCT), here we study structures and free energies of hydration clusters for those anions. We confirm that energetically optimal $(\mathrm{H_2O})_n\mathrm{X}$ clusters, with X = Cl$^-$, Br$^-$, and I$^-$, exhibit \emph{surface} hydration structures. Computed free energies based on optimized surface hydration structures utilizing a harmonic approximation, typically (but not always) disagree with experimental free energies. To remedy the harmonic approximation, we utilize single-point electronic structure calculations on cluster geometries sampled from an AIMD (\emph{ab initio} molecular dynamics) simulation stream. This \emph{rough-landscape} procedure is broadly satisfactory and suggests unfavorable ligand crowding as the physical effect corrected. Nevertheless, this procedure can break down when $n \gtrsim 4$, with the characteristic discrepancy resulting from a relaxed definition of clustering in the identification of $(\mathrm{H_2O})_n\mathrm{X}$ clusters, including ramified structures natural in \emph{physical cluster theories.} With ramified structures, the central equation for the present rough-landscape approach can acquire some inconsistency. Extension of these physical cluster theories in the direction of QCT should remedy that issue, and should be the next step in this research direction.

A novel concept of ion separation Anisotropic Diffusion Mobility Analyser (ADMA) with Individual Ion Counter (IIC) was shown by numerical modelling to be able to separate ions with high resolution and ultra-high sensitivity. An ADMA-IIC device has been developed and tested at sheath flow rates below 40 l/min with a number of chemicals relevant to airport security and military applications. The resolving power of the ADMA was observed to be in the range of 40 to 80. These data were close to the resolution obtained in numerical modelling predictions. It is greater than or comparable with the RP of currently available on-the-market devices for airport security and other applications. It was also confirmed that the ADMA technology enables very fast detection of analytes, at least 100 times faster than ion mobility spectrometers. It was shown that Brownian diffusion can be controlled and even overpowered by generating highly anisotropic diffusion in the ADMA device. The ultimate sensitivity of single-ion detection below the ppq range has been demonstrated.

In this study, we demonstrate the direct preparation of dihalo-γ-lactams featuring two distinct halogens from dichloroamides using a novel Atom Exchange Radical Cyclization (AERC) procedure. This method integrates the established Atom Transfer Radical Cyclization with halogen exchange in solution. The technique operates under mild conditions and requires little amounts of metallic copper, serving as both a supplemental activator and reducing agent.

Due to increasing concerns about global warming and energy crisis, intensive efforts have been made to explore renewable and clean energy sources. Single-atom metals and two-dimensional (2D) nanomaterials have attracted extensive attention in the fields of energy and environment because of their unique electronic structures and excellent properties. In this review, we sum-marize the state-of-art progress on the single-atom metal supported at 2D MoS2 (single-atom metal/2D MoS2) for electrochemical CO2 reduction and water splitting. First, we introduce the advantages of single-atom metal/2D MoS2 catalysts in the fields of electrocatalytic CO2 reduction and water splitting, followed by the strategies for improving electrocatalytic performances of single-atom metal/2D MoS2 hybrid nanomaterials and the typical preparation methods. Further, we discuss the important applications of the nanocomposites in electrocatalytic CO2 reduction and water splitting via some typical examples, particularly focusing on their synthesis routes, modification approaches, and physiochemical mechanisms for improving their electrocatalytic performances. Finally, our perspectives on the key challenges and future directions of exploring high-performance metal single-atom catalysts are presented based on recent achievements in the development of single-atom metal/2D MoS2 hybrid nanomaterials.

By drilling periodic thru-holes in a suspended film, the phonon system can be modified. Being motivated by the BCS theory, the technique, so-called phonon engineering, was applied to a niobium sheet. The newly emergent high-T_c superconductivity, however, cannot be accounted for by the BCS theory. Rather, its exposed configuration, namely a square-lattice oxygen network, is reminiscent of the copper--oxygen plane in cuprate high-T_c superconductors. It turns out that its magnetic result is consistent with the principle of giant atom, which was developed by another heroes of superconductivity, Fritz London and John Slater, in the 1930s, several decades earlier than the propagation of BCS theory. The superconducting transition feature is discussed on the basis of a comprehensive theory of the giant atom---the theory of hole superconductivity.

Fostering fruitful collaboration between chemistry and physics scholars, the analysis of the differences in the practical approach to single atoms in chemistry and in physics affords a number of conceptual outcomes pointing to a more balanced relationship between chemistry and physics.

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.

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.

An electrochemical sensing platinum nanoparticle in the tantalum electrode is provided by means of an Ion Beam Sputtering Deposition (IBSD). The electrode was made with a Pt solution, sputtered simultaneously with hydrochloric acid corrosion on tantalum substrate. In the study of heavy metal ions, for example, the platinum nanoparticle electrodes as prepared were used Square wavelength voltammetry (OSWV) Hg²⁺, Cu²⁺ and Ag²⁺. The porous electrodes were observed in a broader range by the Pt nanostructure electrode for heavy metal ions. Furthermore, the susceptibility to detection has been shown to be saturated as the thickness of the layer electrode exceeded 50 nm. For Hg²⁺ 0,003-1 M, for Cu²⁺ 0,005-3 M and for Ag²⁺ the linear detection scale is 0,009-4 M. There has also been good reusability and repeatability. In addition, a scan electron microscope (SEM) used to study platinum electrode forming process and nanostructure. This electrode will have interesting applications in sensing systems.

Today, contamination from heavy metals in the atmosphere is a global concern. Efficient detection techniques are therefore necessary if heavy metal exposure levels in different media are to be determined. The voltammetry method for in situ detection of heavy metal ions is a very sensitive electrochemical method. This thesis explores emerging developments in electrode alteration, materials production and experimental optimization. An electrochemical sensing platinum nanoparticle in the tantalum electrode is provided by means of an Ion Beam Sputtering Deposition (IBSD). The electrode was made with a Pt solution, sputtered simultaneously with hydrochloric acid corrosion on tantalum substrate. In the study of heavy metal ions, for example, the platinum nanoparticle electrodes as prepared were used Square wavelength voltammetry (OSWV) Hg²⁺, Cu²⁺ and Ag²⁺. The porous electrodes were observed in a broader range by the Pt nanostructure electrode for heavy metal ions. Furthermore, the susceptibility to detection has been shown to be saturated as the thickness of the layer electrode exceeded 50 nm. For Hg²⁺ 0,003-1 M, for Cu²⁺ 0,005-3 M and for Ag²⁺ the linear detection scale is 0,009-4 M. There has also been good reusability and repeatability. In addition, a scan electron microscope (SEM) used to study platinum electrode forming process and nanostructure. This electrode will have interesting applications in sensing systems.

A series of polyacrylonitrile (PAN)-based block copolymers with poly(methyl methacrylate) (PMMA) as sacrificial bock were synthesized by atom transfer radical polymerization and used as precursors for the synthesis of porous carbons. The carbons enriched with O- and S-containing groups, introduced by controlled oxidation and sulphuration, respectively, were characterized by Raman spectroscopy, scanning electron microscopy, and X-ray photoelectron spectrometry, and their surface textural properties were measured by a volumetric analyzer. We observed that the presence of sulphur tends to modify the structure of the carbons, from microporous to mesoporous, while the use of copolymers with a range of molar composition PAN/PMMA between 10/90 to 47/53 allows the obtainment of carbons with different degrees of porosity. The amount of sacrificial block only affects the morphology of carbons stabilized in oxygen, inducing their nanostructuration, but has not effect on their chemical composition. We also demonstrated their suitability for separating a typical N2/CO2 post-combustion stream.

In this work, the use of graphite-like carbon nitride (g-C3N4) with improved texture characteristics for the synthesis of supported palladium catalysts of dehydrogenation of nitrogen-containing heterocycles was studied. This process is key to the creation of liquid organic carrier technology (LOHC) using N-heterocycles as reversibly hydrogenated/dehydrogenated substrates. For the preparation of g-C3N4-mca supports with advanced textural characteristics, well-established technology of the melamine cyanurate complex carbonization and standard techniques of adsorption precipitation together with wet impregnation were used for the synthesis of Pd-containing systems. The activity of the synthesized catalysts was studied in decahydroquinoline dehydrogenation. The high weight content of extractable hydrogen (7.2 wt %) and the high extraction rate, respectively, make it possible to consider these substances as the most promising N-heterocyclic compounds for this technology. It was shown that an increase in the specific surface area of g-C3N4 allows for achieving a slightly lower, but comparable fineness of palladium particles for the 1 wt% Pd/MCA-500 sample, compared to the standard 1 wt% Pd/C. In this case, the catalytic activity of 1 wt% Pd/MCA-500 in dehydrogenation of both substrates exceeded the analogous parameter for catalysts supported by nitrogen free supports. This regularity is presumably associated with the electron-donor effect of surface nitrogen, which favorably affects the dehydrogenation rate as well as the stability of catalytic systems.

Maxwell's electric equation and Schrödinger quantum equation are used to find useful expressions for the probability of electrons existence and the electrons transport. The first expression which uses special relatively also shows that the probability of the electrons existence is higher for lower energy states compared to higher energy states where the probability is low. This means that electrons transport takes place from higher energy states to lower states. This conforms to the laws of chemistry where the atom tends to be stable by forcing electrons to occupy lower energy states. The second expression used the momentum velocity relation instead of special relatively. This expression shows also electrons transport from higher to lower states. It also shows that the probability of the electrons existence is higher for lower electrons density regions and lower for higher electrons density regions. This means that the electrons transport is from higher density regions to lower density regions. This conforms to the diffusion law.

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.

We utilize known exact analytic solutions of perfect fluid hydrodynamics to analytically calculate the polarization of baryons produced in heavy ion collisions. Assuming local thermodynamical equilibrium also for spin degrees of freedom, baryons get a net polarization at their formation (freeze-out). This polarization depends on the time evolution of the Quark-Gluon Plasma (QGP), which can be described as an almost perfect fluid. By using exact analytic solutions, we thus can analyze the necessity of rotation (and vorticity) for non-zero net polarization. In this paper we give the first analytical calculations for the polarization four-vector. We use two hydrodynamical solutions; one is the spherically symmetric Hubble flow (a somewhat oversimplified model, to demonstrate the methodology). The other solution which we use is a somewhat more involved one that corresponds to a rotating and accelerating expansion, and is thus well suited to investigate some main features of the time evolution of the QGP created in peripheral heavy-ion collisions (although there are still many numerous features of a real collision geometry that are beyond the reach of this simple model). Finally we illustrate and discuss our results on the polarization.

The safety concerns associated with current lithium-ion batteries are a significant drawback. A short-circuit within the battery's internal components, such as those caused by a car accident, can lead to ignition or even explosion. To address this issue, a polymer shear thickening electrolyte, free from flammable solvents, has been developed. It comprises a star-shaped oligomer derived from a trimethylolpropane (TMP) core and polyether chains, along with the inclusion of 20 wt.% nanosilica. Notably, the star-shaped oligomer serves a dual function as both the solvent for the lithium salt and the continuous phase of the shear thickening fluid. The obtained electrolytes exhibit an ionic conductivity of 10-6 S cm-1 at 20 °C and 10-4 S cm-1 at 80 °C, with a high Li+ transference number (t+ = 0.79). A nearly thirtyfold increase in viscosity to a value of 1187 Pa s at 25 °C and a critical shear rate of 2 s-1 were achieved. During impact, this electrolyte could enhance cell safety by preventing electrode short-circuiting.

The real implementation of biogas reforming at industrial scale to obtain interesting products, like hydrogen or syngas, is a developing research field where multidisciplinary teams are continuously adding improvements and innovative technologies. Thus, these works can contribute to the proliferation of green technologies where circular economy and sustainability are present. To assess the sustainability of these processes, there are different tools like life cycle assessment (LCA), which implies a complete procedure where even small details count to consider a certain technology sustainable or not. The aim of this work was to review works where LCA is applied to different aspects of biogas reforming, especially focusing on the role of catalysts, which are essential to improve the efficiency of a certain process, but also present a strong influence on its environmental impact. As a conclusion, catalysts have an influence on LCA through the improvement on the catalytic performance and the impact of their production, whereas other aspects related to biogas or methane reforming could equally influence on their durability or reusability, with the subsequent effect on LCA. Further research about this subject is required in a continuously changing technology with plenty of possibilities.

In this work, we present a new way to study the genetic code mathematical and chemical structure, based on the use of mathematical computations involving some few recently designed Fibonacci-like sequences, the “seeds” (“initial conditions”) of which are chosen according to the chemical and physical data of the three amino acids serine, arginine and leucine, playing a prominent role in a recent symmetry classification scheme of the genetic code. It appears that these mathematical sequences, of the same kind as the famous Fibonacci series, apart from their usual recurrence relations, are highly interwinned by many useful linear relationships. Using these sequences and also various sums or linear combinations of them, we derive several physical and chemical quantities of interest, as the number of total coding codons, 61, obeying various degeneracy patterns, the detailed number of hydrogen atoms, the detailed number of atoms (H/CNOS) and the integer molecular mass (or nucleon number), in the side chains of the 61 “amino acids”, also in various degeneracy patterns, in agreement with those described in the literature. Also, unexpectedly but interestingly, we find, as a by-product, an accurate description of the very chemical structure of the four ribonucleotides uridine monophosphate (UMP), cytidine monophosphate (CMP), adenosine monophosphate (AMP) and guanosine monophosphate (GMP), the building blocks of RNA whose groupings, in three units, constitutes the triplet codons. In summary, we find a full mathematical and chemical connection with the “ideal sextet’s classification scheme” mentioned above as well as with several others, notably, the Findley-Findley-McGlynn symmetrical classification. We organize the content of the text in such a way that, besides the presentation of several new research results, it has also an educational dimension. The paper could therefore be read and the computations easily worked out, also by non-experts with mathematical background.

The SOC (State of Charge) in Lithium-ion battery packs refers to determining a battery's current energy level or capacity at a given time. SOC is important for many battery-operated systems since it shows how much energy is available. In the earlier stage SOC is calculated by different techniques such as Coulomb counting, open-circuit voltage, Kalman filters, Data-Driven Approaches, and Real-Times Updates so these all methods are used to calculate the SOC Estimation in battery packs. In recent years, these old methods have had some errors and accuracy malfunctions in SOC estimation in battery packs. The SOC estimation errors occur on Two-Wheeler, Three-Wheeler, and four-wheeler of Electric Vehicles (EV). To Overcome this problem in current years the AI&ML Algorithms Methods are applied everywhere related to Accuracy, Solutions & All. To increase the accuracy of SOC Estimations we are going to use Machine Learning Algorithms to improve the SOC in Machine Learning there are various methods such as supervised, unsupervised, and reinforcement. Of these three methods, one of the best methods is to select the Algorithms is apply to the Battery packs to get accurate SOC Estimations. In Machine Learning, we select the Supervised Learning Algorithms. Currently, the project will focus on the use of a Supervised Machine Learning Algorithm which includes an Extra Trees Regressor, Bagging Regressor, K-Neighbors Regressor, Decision Tree Regressor, and Random Forest Regressor for SOC Estimation. In this, we will develop algorithms applied to Lithium-ion Battery Packs to accurately the SOC estimates. In conclusion, the algorithms we will develop by using Machine Learning are compared with the algorithms and analytical Models.

To address the limitations of the current anodes of Li+-ion batteries (LIBs), a Ge/GeO2/Carbon (Ge@GeO2-C) composite was designed by introducing a high-energy ball-milling process for advanced LIBs. Ge@GeO2-C is prepared and characterized by XPS, XRD, SEM, and TEM, which facilitate synthesis and provide controllability with respect to milling time. Interestingly, as the ball-milling time increased, the proportion of metallic Ge increased during the carbon thermal reduction reaction. The electrochemical characteristics of Ge@GeO2-C are assessed using differential capacity analysis (dQ/dV) and galvanostatic charge-discharge techniques to confirm its viability as an anode material in LIBs. The results demonstrated decent initial and secondary capacities of approximately 1800 mAh g-1 (for the first cycle) and 838 mAh g-1 (for the second cycle) at a rate of C/60 by the reaction between Ge and the Li-Ge complex. Furthermore, postmortem characterization was performed to gain an understanding of the material, suggesting future prospects for advanced LIBs.

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.

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.

In this paper, a new anode environmentally friendly for hydrogen production was developed based on 430 stainless steel with an electrodeposited cobalt layer. The novelty of this work is the cobalt source once the electrodeposition bath was obtained from recycling of spent Li-ion batteries cathode with composition LiCoO₂. The electrodeposited cobalt behaves as supercapacitor in KOH 1M. In the linear voltammetry in KOH 1M, when the overpotential reaches 370 mV, the anodic density current for 430 SS/Co is 19 mA cm⁻². Thus, the anode developed in this paper achieves the double of density current with half of production cost if compared with 316SS. Moreover the anode construction described in this paper is an excellent option for Li- ion battery recycling.

In this paper the application of recycled Li-ion batteries spent cathode (LIB-SC) combined with NaHCO₃/H₂O₂ system is presented for the first time in the literature as an alternative for degradation of potentially toxic organic molecules. The model pollutant choice was methylene blue molecule. The spent cathode composition corresponds to LiCoO₂, which was proved by the XRD and EDX. Regarding the decolorization of methylene blue solution, the addition of NaHCO₃ in comparison with only H₂O₂ reduces the complete decolorization time in 96%. This reduction occurs because the radical CO₃ is more stable than OH. In this way, the application the system proposed in this article is aimed at solving two major global problems: the disposal of cell phone batteries and the pollution of liquid effluents.

Crystalline β-cobalt hydroxide (β-Co(OH)₂) of different morphologies have been successfully synthesized with the addition of sodium hydroxide to cobalt nitrate solution and aging in the mother liquor. The rate of NaOH addition, ranging from 0.1 mL/min to 10 mL/min, influences the surface morphology with the obtained storage capability of the respective electrode. Characterization of the β-Co(OH)₂ was fully developed, including X-ray diffraction, scanning and transmission electron microscopy, and BET analyses. At a lower rate of NaOH addition, particles are like platelets, while for a higher rate (≥2 mL/min) grains are fused together forming a larger crystallite size. This result is supported by the X-ray diffraction structural analysis, where the phase evolution of (002) plane becomes distinct for the higher rate of NaOH addition. Lithium cobalt oxide (LiCoO₂) was synthesized through oxidation from the as-prepared β-Co(OH)₂ and LiOH. The electrochemical performance of as obtained LiCoO₂ is investigated using charge-discharge and cyclic voltammetric studies. The precursor β-Co(OH)₂ prepared at a lower rate of 0.1 mL/min in LiCoO₂ demonstrated the best electrochemical performance of 155 mAh/g. After 50 cycles, the capacity retention rate was 67% compared with the first cycle. Finally, we have attempted to correlate the amount of the available OH^- ions with the formation of platelets and the discharge capacity. This work has developed a methodology for the synthesis of LiCoO₂ using β-Co(OH)₂ in a facile chemical solution process.

In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high performance computers, molecular modeling can now be used to study rather complex systems at a fraction of the cost or time requirements of experimental studies. Molecular modeling techniques have the advantage of being able to access spatial and temporal resolution which are difficult to reach in experimental studies. For example, sub-Angstrom level spatial resolution is very accessible as is sub-femtosecond temporal resolution. Due to these advantages, simulation can play two important roles: Firstly because of the increased spatial and temporal resolution, it can help understand phenomena not well understood. As an example, we discuss the study of reverse osmosis processes. Before simulations were used it was thought the separation of water from salt was purely a coulombic phenomenon. However, by applying molecular simulation techniques, it was clearly demonstrated that the solvation of ions made the separation in effect a steric separation and it was the flux which was strongly affected by the coulombic interactions between water and the membrane surface. Additionally, because of their relatively low cost and quick turnaround (by using multiple processor systems now increasingly available) simulations can be a useful screening tool to identify membranes for a potential application. To this end, we have described our studies in determining the most suitable zeolite membrane for redox flow battery applications. As computing facilities become more widely available and new computational methods are developed, we believe molecular modeling will become a key tool in the study of transport processes in nanoporous materials.

Microalloying of low carbon steel with niobium (Nb) and titanium (Ti) is standardly applied in high-strength low-alloy (HSLA) steels enabling austenite conditioning during thermo-mechanical controlled processing (TMCP), which results in pronounced grain refinement in the finished steel. The metallurgical effects of microalloying elements are related solute drag and precipitate particle pinning, both acting on the austenite grain boundary thereby delaying or suppressing recrystallization of the deformed grain. In that respect it is important to better understand the precipitation kinetics as well as the precipitation sequence in a typical Nb-Ti-microalloyed steel. Various characterization methods have been utilized in this study for tracing microalloy precipitation after simulating different austenite TMCP conditions in a Gleeble apparatus. Atom probe tomography (APT), scanning transmission electron microscopy in a focused ion beam equipped scanning electron microscope (STEM-on-FIB) and electrical resistivity measurements provide complementary information on the precipitation status and are correlated with each other. It will be demonstrated that accurate electrical resistivity measurements can monitor the general consumption of solute microalloys (Nb) during hot working which was complemented by APT measurements of the steel matrix. On the other hand, STEM revealed that a large part of Nb-containing particles during hot working are co-precipitated with titanium during cooling from the austenitizing temperature. Precipitates that form during cooling or isothermal holding can be distinguished from strain-induced precipitates by corroborating STEM measurements with APT results. APT specifically allows obtaining detailed information about the chemical composition of precipitates as well as the distribution of elements inside the particle. Electrical resistivity measurement, on the contrary, provides macroscopic information on the progress of precipitation and can be calibrated by APT. The current paper highlights the complementarity of these methods and shows first results within the framework of a larger study on strain-induced precipitation.

Nanoparticles of platinum-group metals (PGM) on carbon supports are widely used as catalysts for a number of chemical and electrochemical conversions on laboratory and industrial scale. The newly emerging field of single atom catalysis focuses on the ultimate level of metal dispersion, i.e. atomically dispersed metal species anchored on the substrate surface. However, the presence of single atoms in traditional nanoparticle-based catalysts remains largely overlooked. In this work we use aberration-corrected scanning transmission electron microscope to investigate four commercially available nanoparticle-based PGM/C catalysts (PGM = Ru, Rh, Pd, Pt). We show that in addition to nanoparticles, single atoms are also present on the surface of carbon substrates. These observations raise questions about the role that single atoms play in conventional nanoparticle PGM/C catalysts. We critically discuss the observations with regard to the quickly developing field of single atom catalysis.

Immersion in salt-lake solution was adopted to periodically test the concrete chloride-ion diffusion coefficient. The regression analysis was also completed. Also investigated was the time-dependent law of concrete chloride-ion diffusion coefficient with time. The influence of chloride-ion concentration in solution, water-to-cement ratio, and corrosion time on the largeness and accumulation rate of the concrete chloride-ion diffusion coefficient was also analyzed. Test results show that the concrete chloride-ion diffusion coefficient gradually decreased with increasing time and increased with increasing chloride-ion concentration in a salt lake . Taking into account the influence of factors such as water–binder ratio, chloride-ion concentration, and time-varying characteristics, a multi-factor calculation model for the concrete chloride-ion diffusion coefficient was established. Combining the prediction results and the measured data reported in this paper, the effectiveness and applicability of the established concrete chloride-ion diffusion coefficient calculation model were compared and verified, and the durability design and service life of a concrete structure under cool chlorine were compared. The results of analysis provide important boundary conditions.

Isotopes at the limits of nuclear existence are of great interest for their critical role in nuclear astrophysical reactions and their exotic structure. Experimentally, exotic nuclides are challenging to address due to low production cross-sections, overwhelming amounts of contamination, and lifetimes typically less than a second. To this end, a Multiple-Reflection Time-of-Flight mass spectrometer at the TITAN-TRIUMF facility was built to determine atomic masses. This device is a preferred tool to work with exotic nuclides due to its ability to resolve the species of interest from contamination and short measurement cycle times enabling mass measurements of isotopes with millisecond half-lives. With a relative precision of order $10^{-7}$, we demonstrate why the TITAN MR-TOF MS is the tool of choice for precision mass surveys for nuclear structure and astrophysics. The capabilities of the device are showcased in this work including new mass measurements of short-lived tin isotopes ($^{104-107}$Sn) approaching the proton dripline as well as $^{89}$Zr, $^{90}$Y, and $^{91}$Y. The last three illustrate how the broadband surveys of MR-TOF MS reach beyond the species of immediate interest.

The KcsA is a prokaryotic potassium-oriented channel, which is sourced from the Streptomyces lividans soil bacteria. From extensive studies that have been carried over the KcsA potassium channel, it has been proved that various factors enable the gating and shuttling of the potassium ions into and out of the cells. Some of the factors include the different concentration of protons in the inside and outside membrane. The other factor is the existence of the selectivity filter equipped in the exit of channel pore, which enables the movement of the K⁺ ions. Not only are potassium ions present in the channel but also sodium ions. Potassium and sodium ions are the ions that are essential in the conductivity of a cell because of their charge. An intuitive idea about why K⁺ ions are at least 10,000 times more permeant than Na⁺ ions is presented in various entities. The hypothesis is that the selectivity ratio is probably related to the successive entry of Na⁺ ions, based on the premise that the ratio seems to be relevant to unpredictable quantities caused by Brownian corrosion of ions.

The rate constants of elementary processes in the atom-diatom system O(³P)+H₂(v), including the processes of vibrational relaxation and dissociation, were studied using the quasi-classical trajectory method. All calculations were carried out along the ground potential energy surface (PES) ³A′′ that was approximated by a neural network. Approximation data were obtained using ab initio quantum chemistry methods at the extended multi-configuration quasi-degenerate second-order perturbation theory XMCQDPT2 in a basis set limit. The calculated cross sections of the reaction channels are in good agreement with the literature data. A complete set of state-to-state rate constants was obtained for the metathesis reaction, the dissociation and VT relaxation of the H₂ molecule upon collision with an O atom. According to this data Arrhenius approximations over a wide temperature range were obtained for the thermal rate constants of considered processes. Data obtained on the dissociation constants and VT relaxation of vibrationally excited H₂ molecules can be used in constructing kinetic models describing the oxidation of hydrogen at high temperatures or highly nonequilibrium conditions.

The 32CA reactions of a series of pairs of bent three-atom-components (B-TACs) and linear TACs (L-TACs) towards electrophilic dicyanoethylene (DCE) have been studied within the Molecular Electron Density Theory in order to understand their different reactivity. ELF analysis indicates that while pseudodiradical B-TACs change their electronic structure to pseudoradical or carbenoid L-TACs upon dehydrogenation, zwitterionic B-TACs experience no remarkable change. Analysis of the CDFT indices indicates that five of the nine studied TACs have a strong nucleophilic character, thus participating in polar reactions towards electrophilic ethylenes. The activation energies of the 32CA reactions of the nine TACs towards electrophilic DCE range from 0.6 to 22.0 kcal·mol-1, which are by between 2.0 and 10.1 kcal·mol-1 lower than those involved in the non-polar 32CA reactions with ethylene. In general, B-TACs are more reactive than their L-TAC counterparts. A change of the regioselectivity is found in these polar 32CA reactions; in general, while B-TACs are meta regioselective, L-TACs are ortho regioselective. Analysis of the geometrical parameters indicates that at all TSs, the formation of the single bond involving the most electrophilic C4 carbon of DCE is more advanced than that involving the C5 one. A change of the asynchronicity in the reactions involving B-TACs and L-TACs is also found.

Selenium is one of the inorganic compounds in human and animal nutrition and is involved in the proper functioning of the body. As a micronutrient, it actively contributes to the regulation of various metabolic activities, i.e., thyroid hormone, and protection against oxidative stress and cancer. Selenium anion also plays an essential role in the mechanism of immunity to viral infec-tions. However, this element can also be hazardous, especially in high concentrations. The toxicity of selenium is strongly associated with its chemical form. Se exhibits a narrow concentration window from having a positive to exerting a toxic effect. The daily uptake for humans is in the range of 55-400 µg/day. In higher doses (of the order of 900-1000 µg/day), it negatively affects the human body and causes DNA damage through the formation of free radicals. Increased reactivity of Se anion can also disrupt the integrity and function of DNA-repairing proteins. As the permis-sible concentration of Se in drinking water is 10 µg/L, it is vital to develop sensitive and robust methods of Se detection in aqueous samples.

This retrospective begins with Galvani's experiments on frogs at the end of the 18th century and his discovery of ‘animal electricity’. It goes on to illustrate the numerous contributions in the fields of physical chemistry in the second half of the 19th century (Nernst’s equilibrium potential, based on the work of Wilhelm Ostwald, Max Planck's ion electrodiffusion, Einstein's studies of Brownian motion), which led Bernstein to propose his membrane theory in the early 1900s as an explanation of Galvani’s findings and cell excitability. These processes were fully elucidated by Hodgkin and Huxley in 1952, by detailing the ionic basis of resting and action potentials, but without addressing the question of where these ions passed. The emerging question of the existence of ion channels, widely debated over the next two decades, was finally accepted and, a decade later, many of them began to be cloned. This led to the possibility of modelling the activity of individual neurons in the brain and then of simple circuits. Taking advantage of the remarkable advances in computer science in the new millennium, together with a much deeper understanding of brain architecture, more ambitious scientific goals were dreamed of to understand the brain and how it works. The retrospective concludes by reviewing the main efforts in this direction, namely the construction of a digital brain, an in silico copy of the brain that would run on supercomputers and behave just like a real brain.

In this research, 117,718 ionospheric perturbations, with a space size (t) of 20–300 s but no limit on amplitude (A) have been automatically searched globally by a software from ion density data measured by the DEMETER satellite for more than 6 years. The influence of the solar activity on the ionosphere has been firstly examined and the results have presented that the solar activities can globally enhance ionospheric irregularities but rarely induce plasma variations more than 100%. A statistical work has been performed on ion PERs to check their dependence on local time and it is shown that there are 24.8% perturbations appeared in daytime (10:30 LT) and 75.2% ones in nighttime (22:30 LT). Ionospheric fluctuations with an absolute amplitude A < 10% tend to be background variations and the percentages of positive perturbations with small A < 20% are 64% in daytime and 26.8% in nighttime, respectively, but this number is revers for mid-large amplitude PERs. There is a demarcation point in space size t = 120 s and occurrence probabilities of day PERs are always higher than that of nighttime ones before this point while this trend is contrary after this point. Distributions of PER according to various amplitudes or space scales have been characterized by typical seasonal variations either in daytime or in nighttime. The EIA only exists in dayside equinox and winter occupying two lowlatitude crests with lower Np. The huge WSA appears in all periods except for dayside summer full of PERs with enhanced amplitude, especially in winter night. The WN-like structure can be obviously figured out in all seasons showing absolutely space large-scales. In the meanwhile, several magnetic anomalous zones of planetary scale non-dipole fields, such as the SAMA, Northern Africa anomaly, and so on, have been also successfully detected by extreme negative ion perturbations in this time.

Adopting banana peel as raw material, the adsorption properties of banana peel hydrothermal carbon modified with KOH solution for lead ions in aqueous solution were studied. The surface structure and functional groups of the modified hydrothermal carbon were analyzed by XRD and SEM. The results showed that the banana peel hydrothermal carbon prepared from 0.5 mol/L KOH solution had large pores, and its adsorption capacity reached 42.92 mg/g at a pH value of 6; When the concentration of KOH solution is 0.5 mol/L, the solid liquid ratio is 2 g/L, the adsorption capacity reaches 21.39 mg/g, and the adsorption rate reaches 82.74%; When the concentration of lead solution increased to 100 mg/L, the adsorption capacity of modified hydrothermal carbon for lead ions decreased to 78.26%; The equilibrium adsorption time of lead ion in solution on phosphoric acid modified hydrothermal carbon from banana peel was 250 minutes, and the adsorption process met the quasi second order kinetic model and Freundlich isotherm equation, with an equilibrium adsorption rate of 88.62%. The adsorption of lead ions in solution by KOH modified hydrothermal carbon is mainly chemical physical adsorption.

Using banana peel as raw material, the adsorption properties of hydrothermal carbon pre-10 pared from banana peel modified with different concentrations of phosphoric acid solution for lead 11 ions in aqueous solution were studied. The surface structure and functional groups of the modified 12 hydrothermal carbon were analyzed by XRD and SEM. The results show that the surface of the 13 modified banana peel hydrothermal carbon prepared at 240℃ and 2mol/L phosphoric acid solution 14 has large pores. The adsorption capacity is larger when pH value is 6.When the concentration of 15 phosphoric acid solution was 2mol/L, the solid-liquid ratio was 2g/L, the adsorption capacity was 16 40.64mg/g, and the removal rate was 82.74%.When the initial concentration of lead solution in-17 creased to 100mg/L, the adsorption capacity of modified hydrothermal carbon for lead ion increased 18 to 76.81mg/g, and the removal rate decreased to 76.81%.The equilibrium adsorption time of banana 19 peel phosphoric acid modified hydrothermal carbon for lead ions in solution is 300min. The adsorp-20 tion process satisfies the pseudo-second-order kinetic model and Langmuir isotherm equation. The 21 reaction temperature is 313K, and the equilibrium adsorption capacity can reach 101.19mg/g. The 22 adsorption of Pb ions in aqueous solution by phosphoric acid modified hydrothermal carbon is 23 dominated by single layer chemisorption. The artificial neural network has a fitting correlation of 24 0.99, and the adsorption process includes physical adsorption, electrostatic attraction, ion exchange, 25 and surface complexation.

The economics and safety of reactors can be affected by the diffusion of fission products into graphite. Xenon (Xe) fission products diffusing into the graphite is the most critical neutron absorber and poison that can slow down or stop the chain reaction. The transport parameters for inhibiting the xenon diffusion in graphite are therefore the utmost scientific problem. Self-sintered nanopore-isotropic (~ 40nm) graphite (SSNG) derived from green pitch coke can decrease Xe diffusion into the graphite. In this study, a method for measurement of diffusion coefficients of fission products diffusion in graphite by Rutherford backscattering spectrometry (RBS) was reported. The SSNG substrates were implanted with Xe at a dose of 4.8×1015 ions/cm2 and energy of 7 MeV. The RT-implanted samples were annealed in a vacuum at 650°C for 9 h. The implanted and annealed samples were characterized by RBS. The diffusion coefficient D(Xe,650°C) is 6.49×10-20 m2/s. The results indicate the excellent ability to inhibit Xe diffusion of the SSNG and present significance in designing and evaluating the safety of nuclear reactors.

Anode materials based on TiO2 nanoparticles of different morphologies were prepared using the hydrothermal method and characterized by various techniques, such as X-ray diffraction (DRX), scanning electron microscopy (FE-SEM), and N2 absorption. The TiO2 nanoparticles prepared were used as anode materials for lithium-ion batteries (LIBs), and their electrochemical properties were tested using discharging/charging measurements. The results showed that the initial morphology of the nanoparticles plays a minor role in battery performance after the first few cycles and that better capacity was achieved for TiO2 nanobelt morphology. The sharp drop in the specific capacity of LIB during their first cycles is examined considering changes in the morphology of TiO2 particles and their porosity properties in terms of shape and connectivity.

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.

We study the application of Optimal Control Theory to Ion Cyclotron Resonance. We test the validity and the efficiency of this approach for the robust excitation of an ensemble of ions with a wide range of cyclotron frequencies. Optimal analytical solutions are derived in the case without any pulse constraint. A gradient-based numerical optimization algorithm is proposed to take into account limitation in the control intensity. The efficiency of optimal pulses is investigated as a function of control time, maximum amplitude and range of excited frequencies. A comparison with adiabatic and SWIFT pulses is done. On the basis of recent results in Nuclear Magnetic Resonance, this study highlights the potential usefulness of optimal control in Ion Cyclotron Resonance.

The separator membrane is an essential component of lithium-ion batteries, separating the anode and cathode and controlling the number and mobility of the lithium ions. Among the polymer matrices most investigated for battery separators are poly(vinylidene fluoride) (PVDF) and its copolymers poly(vinylidene fluoride-co-trifluoroethylene) (PVDF-TrFE), poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP), and poly(vinylidene fluoride-cochlorotrifluoroethylene) (PVDF-CTFE), due to their excellent properties such as high polarity and the possibility of controlling the porosity of the materials through binary and ternary polymer/solvent systems, among others. This review presents the recent advances on battery separators based on poly(vinylidene fluoride) (PVDF) and its copolymers for lithium-ion batteries. It is divided in the following sections: single polymer and co-polymers, surface modification, composites and polymer blends. Further, a critical comparison between those membranes and other separator membranes is presented, as well as the future trends on this area.

We describe our investigations of the surface physicochemical and biological properties of polylactic acid modified by silver, argon and carbon ion implantation to doses of 1 × 10¹⁴, 1 × 10¹⁵ and 1 × 10¹⁶ ion/cm² at energies of 20 keV (for C and Ar) and 40 keV (for Ag). X-ray analysis shows enhancement of coherent scattering regions and lattice constant increase after ion implantation. Secondary electron mass-spectrometry indicates that Ag concentration in the subsurface layer is less than 80%, but at a depth of 500 nm does not exceed 1–2%. The silver forms metal particles in the subsurface layer rather than making additional chemical bonds with polymer atoms. Atomic force microscopy reveals that the higher the irradiation dose the larger the surface roughness of the samples. Ag-irradiated samples implanted to a dose of 1 × 10¹⁶ ions/cm² have the highest roughness, 190 nm. Our investigation of the cytotoxicity of two individual donor macrophages shows that Ag-implanted polylactic acid has no negative impact on immune system cells and could be a promising material for biomedical application.

The cell case temperature versus time profiles of a multistage fast charging technique (4C-1C-CV)/fast discharge (4C) in a 2.3 Ah cylindrical lithium-ion cell are analyzed using a 1D thermal model. Heat generation is dominated by the irreversible component associated to cell overpotential, although evidences of the reversible component are also observed, associated to the heat related to entropy from the electrode reactions. The final charging stages (i.e., 1C-CV) significantly reduce heat generation and cell temperature during charge, resulting in a thermally safe charging protocol. Cell heat capacity was determined from cell specific heats and cell materials thickness. The 1D model adjustment of the experimental data during the 2 min. resting period between discharge and charge allowed us to calculate both the time constant of the relaxation process and the cell thermal resistance. The obtained values of these thermal parameters used in the proposed model are almost equal to those found in the literature for the same cell model, which suggests that the proposed model is suitable for its implementation in thermal management systems.

Oxidative stress, characterized by an imbalance between the production of reactive oxygen species (ROS) and the body's antioxidant defenses, significantly affects cellular function and viability. It plays a pivotal role in modulating action potentials (APs), essential for properly functioning excitable cells such as neurons, smooth muscles, pancreatic beta cells, and myocytes. The interaction between oxidative stress and AP dynamics is crucial for understanding the pathophysiology of various conditions, including neurodegenerative diseases, cardiac arrhythmias, and ischemia-reperfusion injuries. This review explores how oxidative stress influences APs, focusing on alterations in ion channel functionality, signaling pathways, and membrane properties. By integrating current research, we aim to elucidate how oxidative stress contributes to disease progression and discuss potential therapeutic interventions targeting this interaction.

This study explores the enhancement of aqueous zinc-ion batteries (AZIBs) using ammonium-enhanced vanadium oxide cathodes. Density Functional Theory (DFT) calculations reveal that NH₄⁺ incorporation into V₆O₁₆ lattices significantly facilitates Zn²⁺ ion diffusion by reducing electrostatic interactions, acting as a structural lubricant. Subsequent experimental validation using (NH₄)₂V₆O₁₆ cathodes synthesized via a hydrothermal method corroborates the DFT findings, demonstrating remarkable electrochemical stability with a capacity retention of 90% after 2000 cycles at 5 A g⁻¹. These results underscore the potential of NH₄⁺ in improving the performance and longevity of AZIBs, providing a pathway for sustainable energy storage solutions.

Silicon has been proved to be one of the most promising anode materials for the next generation of lithium-ion battery. For the application in batteries, Si anode should have high capacity and must be industrially scalable. In this study, we have designed and synthesised a hollow structure to meet these requirements. All the processes are carried out without special equipment. The Si nanoparticles that are commercially available are used as the core sealed inside TiO₂ shell, with rationally designed void space between the particles and shell. The Si@TiO₂ are characterised using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and scanning electron microscope (SEM). The optimised hollow structured silicon nanoparticles, when used as anode in lithium-ion battery, exhibit a high reversible specific capacity over 600 mAhg-1. This excellent electrochemical property of the nanoparticles can be attributed to their optimised phase and unique hollow nanostructure.

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.

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.

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.

The generalized dual-kinetic-balance approach for axially symmetric systems is employed to solve the two-center Dirac problem. The spectra of one-electron homonuclear quasimolecules are calculated and compared with the previous calculations. The analysis of the monopole approximation with two different choices of the origin is performed. Special attention is paid to the lead and xenon dimers, Pb82+–Pb82+–e− and Xe54+–Xe54+–e−, where the energies of the ground and several excited σ-states are presented in the wide range of internuclear distances. The developed method provides the quasicomplete finite basis set and allows for construction of the perturbation theory, including within the bound-state QED.

High-resolution K-shell photoionization cross-sections for the C-like atomic nitrogen ion (N+) are reported in the 398 eV (31.15 Å) to 450 eV (27.55 Å) energy (wavelength) range. The results were obtained from absolute ion-yield measurements using the SOLEIL synchrotron radiation facility for spectral bandpasses of 65 meV or 250 meV. In the photon energy region 398 eV - 403 eV, 1s⟶2p autoionizing resonance states dominated the cross section spectrum. Analyses of the experimental profiles yielded resonance strengths and Auger widths. In the 415 eV - 440 eV photon region 1s⟶1s2s22p2 4Pnp and 1s⟶1s2s22p2 2Pnp resonances forming well-developed Rydberg series up n=7 and n=8 , respectively, were identified in both the single and double ionization spectra. Theoretical photoionization cross-section calculations, performed using the R-matrix plus pseudo-states (RMPS) method and the multiconfiguration Dirac-Fock (MCDF) approach were bench marked against these high-resolution experimental results. Comparison of the state-of-the-art theoretical work with the experimental studies allowed the identification of new resonance features. Resonance strengths, energies and Auger widths (where available) are compared quantitatively with the theoretical values. Contributions from excited metastable states of the N+ ions were carefully considered throughout.

Voltage-gated Ca²⁺ (Ca_v) channels play pivotal roles in regulating gene transcription, neuronal excitability, and neurotransmitter release. In order to meet the spatial and temporal demands of visual signaling, Ca_v channels exhibit unusual properties in the retina compared to their counterparts in other areas of the nervous system. Here, we review current concepts regarding the specific subtypes of Ca_v channels expressed in the retina, their intrinsic properties and forms of modulation, and how their dysregulation could lead to retinal disease.

This code provides computational facilities to simulate current versus time during the charging of Li-ion cells at desire constant voltage by considering multiscale physical phenomena. This code only considers a powder of active materials (at microscale or nanoscale) and a small part of electrolyte around it as a half cell. Then it is extended to a complete cell by applying correct boundary conditions. This code is very useful by modifying code parameters to understand the effect of the complex shape of active materials powder (surface area and powder size), kind of electrolyte, and the applied voltages on the charging response of Li-ion cell. As a summary, a microscale approach to the design of Li-ion cells has been provided via this code.

This paper updates earlier thoughts by the author on a putative electromagnetic propulsion system, to perform a more detailed energy balance. The previous paper demonstrated how momentum could be dumped to the ground state of the electromagnetic field but a claim was left somewhat hanging at the end of the previous paper, that the work done in changing the craft's velocity would effectively shift the centre of mass of the field - although that would be an infinitesimal shift in practice. The craft must always supply work to change velocity, such as by an accelerate/de-accelerate cycle and superficially this looks to violate the conservation of energy; we prove that this isn't so.

In the present work, doped ZnO (ZnO:Al) thin film has been grown on Silicon (Si) substrate by DC sputtering. The obtained thickness of the film is 230 ± 5 nm. The films were subjected to swift heavy ion (SHI) irradiation 120 MeV, Ag⁹⁺ with different fluences ranging from 3 × 10¹¹ to 3 × 10¹³ ions/cm². To study the impact of SHI, both pristine and irradiated samples were characterized to obtain the structural, surface morphological and electrical properties using X-ray diffractometry (XRD), atomic force microscopy (AFM) and hall effect measurement system respectively. From XRD results it is observed that there is change in crystallinity of the film with increase in irradiation fluence. The surface morphological studies through AFM shows the increase in surface roughness with increase in fluence. A significant change is also observed in electrical parameters viz conductivity, mobility and carrier concentration. Conductivity, mobility and carrier concentration decreases with increasing fluence.

Objective: Rett syndrome (RTT) is an X-linked neurodevelopmental disorder caused by mutations in MeCP2, a transcription factor. MeCP2 mutations cause abnormal expression of downstream genes and eventually lead to brain dysfunction. The role of MeCP2 in brain neural development remains unclear. To further elucidate this role, a MeCP2-null rat model was created with the CRISPR/cas9 system. Method: A MeCP2-cas9 vector was constructed and then microinjected into fertilized rat ova in vitro. Two mutations by CRISPR/cas9 were confirmed to cause deletions in exon 2 of MeCP2 via DNA sequencing, and protein expression was measured by Western blotting. Transcriptome data for three brain tissues, the cerebellum, cerebral cortex and hippocampus, were obtained via next-generation sequencing. Results: MeCP2-null rats were successfully obtained, and preliminary analysis showed that the MeCP2-null rats exhibited motor dysfunction and anxious and depressed behaviour. In addition, differentially expressed genes (DEGs) were identified in the three MeCP2-null brain tissues compared to wild-type rat brain tissues. In the rat cerebellum, 388 downregulated DEGs were mainly involved in the calcium ion signalling pathway and the PI3K-Akt signalling pathway. In the cerebral cortex, 386 upregulated DEGs were primarily involved in intracellular signal transduction, protein phosphorylation and the MAPK signalling pathway. In the hippocampus, the DEGs were related to the MAPK signalling pathway. Conclusion: We constructed a MeCP2-null rat model with unique features with CRISPR/cas9 technology to study RTT and analysed DEGs in three rat brain tissues to highlight potential targets for the development of new medicines.

Novel multifunctional fluorescent chemosensors composed of electrospun (ES) nanofibers with high sensitivity toward pH, mercury ions (Hg²⁺), and temperature were prepared from poly(N-Isopropylacrylamide-co-N-methylolacrylamide-co-rhodamine derivative) (poly(NIPAAm-co-NMA-co-RhBN2AM)) by employing electrospinning process. NIPAAm and NMA moieties provide hydrophilic and thermo-responsive properties (absorption of Hg²⁺ in aqueous solutions), and chemical cross-linking sites (stabilization of the fibrous structure in aqueous solutions), respectively. The fluorescent probe, RhBN2AM is highly sensitive toward pH and Hg²⁺. Synthesis of poly(NIPAAm-co-NMA-co-RhBN2AM) with different compositions were carried on via free-radical polymerization. ES nanofibers prepared from sensory copolymers with a 71.1:28.4:0.5 NIPAAm: NMA: RhBN2AM ratio (P3 ES nanofibers) exhibited significant color change from nonfluorescent to red fluorescence while sensing pH or Hg²⁺, and high reversibility of on/off switchable fluorescence emission when Hg²⁺ and ethylenediaminetetraacetic acid (EDTA) were sequentially added. The P3 ES nanofibrous membranes had a higher surface-to-volume ratio to enhance their performance than did the corresponding thin films. In addition, the fluorescence emission of P3 ES nanofibrous membranes exhibited second enhancement above the lower critical solution temperature. Thus, the ES nanofibrous membranes prepared from P3 with on/off switchable capacity and thermo-responsive characteristics can be used as multifunctional sensory devise for specific heavy transition metal (HTM) in aqueous solutions.

Ion association is an important process in aqueous dissolution, precipitation, and~crystallization of ionic inorganic, organic, and biological materials. Polyoxometalates (POMs) are good model compounds for understanding the complex relationships between lattice energy, ion-pairing in solution, and salt solubility. Here we perform calorimetric measurements to elucidate trends in cluster stability, lattice energy, and ion-pairing behavior studies of simple hexatantalate salts in neat water, parent hydroxide solutions, and molybdate melts, extending previous studies on the isostructural hexaniobates. High temperature calorimetry of alkali salts of hexatantalate reveals that the enthalpies of formation from oxides of the K, Rb, and Cs salts are more similar to each other than they are for their niobate analogues and that the tantalate cluster is energetically less stable than hexaniobate. Aqueous dissolution calorimetry reveals that the cesium salt of hexatantalate has a similar concentration dependence on its dissolution enthalpy to that of hexaniobate. However, unlike~rubidium hexaniobate, rubidium hexatantalate also exhibits increased concentration dependence, indicating that hextantalate can undergo increased ion-pairing with alkali salts other than cesium, despite the dilute environments studied. Dissolution enthalpies of POM salts in the parent alkali hydroxides shows that protonation of clusters stabilizes lattices even more than the strongly associating heavy alkali cations do. Additionally, neither weak nor strong lattice ion associations necessarily correlates with respectively high or low aqueous solubility. These studies illuminate the importance of considering ion-pairing among the interrelated processes in the aqueous dissolution of ionic salts that can be extended to serving as a model of cation association to metal oxide surfaces.

We investigate the ammonium removal abilities of natural and synthetic zeolites, which have distinct Si/Al ratios and various surface areas, to study how adsorption and ion-exchange processes in zeolites perform under different ammonium concentrations and different temperatures. Five zeolites including natural mordenite, chabazite, erionite, clinoptilolite and synthetic merlinoite were immersed in 20 mg/kg, 50 mg/kg and 100 mg/kg ammonium solutions. The results demonstrate that zeolites under high ammonium concentrations (100 mg/kg) possess higher physical adsorption capacity (0.398–0.468 meq/g), whereas those under lower ammonium concentrations (20 mg/kg) possess greater ion-exchange property (64–99%). The ion-exchange ability of zeolites are extremely dependent on the cation content of the zeolites, and the cation content is affected by the Si/Al ratio. The surface area of zeolites also has a partial influence on its physical adsorption ability. When the surface area is less than 100 m²/g, the adsorption ability of zeolite increases obviously with surface area; however, adsorption ability is saturated as the surface area becomes larger than this critical value of 100 m²/g. When we carried out the zeolites in 50 mg/kg ammonium concentration at different temperatures (5~50 ℃), we found that zeolites exhibit the highest ammonium removal ability at 30°C and the potassium release was enhanced at 30~40 ℃.

A low-cost bio-mass-derived carbon substrate has been employed to synthesize MoS₂@carbon composites through a hydrothermal method. Carbon fibers derived from natural cotton provide a three-dimensional and open framework for the uniform growth of MoS₂ nanosheets, thus constructing hierarchically coaxial architecture. The unique structure could synergistically benefit fast Li-ion and electron transport from the conductive carbon scaffold and porous MoS₂ nanostructures. As a result, the MoS₂@carbon composites, when served as anodes for Li-ion batteries, exhibit a high reversible specific capacity of 820 mAh g^-1, high-rate capability (457 mAh g^-1 at 2 A g^-1), and excellent cycling stability. The superior electrochemical performance makes the MoS₂@carbon composites to be low-cost and promising anode materials for Li-ion batteries.

Three-dimensional V₂O₅ hollow structures have been prepared through a simple synthesis strategy combining solvothermal treatment and a subsequent thermal annealing. The V₂O₅ materials are composed of microspheres 2–3 μm in diameter and with a distinct hollow interior. The as-synthesized V₂O₅ hollow microspheres, when evaluated as a cathode material for lithium-ion batteries, can deliver a specific capacity as high as 273 mAh·g⁻¹ at 0.2 C. Benefiting from the hollow structures that afford fast electrolyte transport and volume accommodation, the V₂O₅ cathode also exhibits a superior rate capability and excellent cycling stability. The good Li-ion storage performance demonstrates the great potential of this unique V₂O₅ hollow material as a high-performance cathode for lithium-ion batteries.

The remaining capacity can only be measured with offline method. This brings great challenge for the online prediction of Li-ion battery’s RUL. A novel online prediction method for Li-ion battery’s RUL was proposed, which is based on multiple health indicators (HIs) and can be derived from the batteries’ historical operation data. Firstly, four indirect HIs were built according to the battery’s operation current, voltage and temperature data respectively. On that basis, a generalized regression neural network (GRNN) was developed to estimate the battery’s remaining capacity, and the non-linear autoregressive approach (NAR) was utilized to predict the battery’s RUL based on the estimated capacity value. Furthermore, to reduce the interference, twice wavelet denoising were performed with different thresholds. A case study is conducted with a NASA battery dataset to demonstrate the effectiveness of the method. The result shows that the proposed method can obtain Li-ion batteries’ RUL effectively.

This is a review on social laser theory completed with its new developments and applications. An important methodological step towards similarity with quantum physics is the invention and consistent operation with infons. These are excitations of the quantum social-information field carrying social energy and coarse grained content of communications (their color and quasi-color). We study in more detail interactions of infons with social atoms, the processes of absorption and emission (spontaneous and stimulated). We also analyze the dynamics of iterations of the cascades of infons in the social resonators. The latter are based on social networks coupled to laser's gain medium composed of social atoms. Consideration of the pro-war and pro-peace beams leads to the general discussion on the competing beams of social radiation and the conditions for their creation and coexistence. The role of social networks in lasing is illustrated by the protests during the COVID-19 pandemic. It is highlighted that a human gain medium can approach the state of population inversion with supply of infons of one sort (quasi-color), but the stimulated emission can be induced by injection into the gain medium of infons of a different quasi-color. We call this behavior of social atoms memorylessness. This theoretical property is illustrated with the examples from the modern social-political life.

This study throws more light on the new Co-free and Ni-rich LiNi0.8Mn0.1Fe0.1O2 cathode material for lithium-ion batteries. This cobalt-free cathode material is prepared using a two-step process: the formation of an oxalate precursor by co-precipitation followed by a solid-state reaction with lithium hydroxide and iron citrate. The physico-chemical properties of LiNi0.8Mn0.1Fe0.1O2 are characterized using X-ray diffraction, Raman spectroscopy, scanning electron microscopy, thermal gravimetric analysis, and energy dispersive X-ray spectroscopy, respectively. The LiNi0.8Mn0.1Fe0.1O2 electrode tested at at C/2 rate within voltage window of 3.0-4.4 V vs. Li+/Li delivers a specific capacity of ~80 mAh g-1 and retain about 45% of its initial capacity after 100 cycles.

The properties of coatings obtained using two surface preparation methods were compared: heating and etching by ion bombardment with plasma generation by arc evaporators and heating and etching by a glow discharge. A Ti-TiN-(Ti,Cr,Al)N coating was deposited. The use of a glow discharge provides better resistance of the coating to destruction during the scratch test and wear resistance of metal-cutting tools when turning steel. As the cutting speed increases, the advantage in wear resistance of the coating deposited using a glow discharge increases. During the process of heating and etching by ion bombardment with metal ions, a nanolayer rich in cobalt and tooling elements (iron, molybdenum) is formed in the area of the interface of the coating and the carbide substrate. When heated and etched by a glow discharge, such a layer does not form. When using both methods, there is identical diffusion of tungsten into the coating and diffusion of chromium and possibly titanium into the substrate. Thus, the glow discharge heating and etching method can be effectively used in the process of PVD coating deposition.

This investigation explores the potential of enhancing aqueous zinc-ion batteries (AZIBs) through the introduction of a novel cathode material, NH4V4O10 (NVO), combined with reduced graphene oxide (rGO). Utilizing Density Functional Theory (DFT), it was hypothesized that the incorpora-tion of rGO would increase the interlayer spacing of NVO and diminish the charge transfer in-teractions, thus promoting enhanced diffusion of Zn2+ ions. These theoretical predictions were substantiated by experimental data acquired from hydrothermal synthesis, which indicated a marked increase in interlayer spacing. Significantly, the NVO-rGO composite exhibits remarkable cyclic durability, maintaining 95% of its initial specific capacity of 507 mAh g−1 after 600 cycles at a current density of 5 A g−1. The electrochemical performance of NVO-rGO not only surpasses that of pristine NVO but also outperforms the majority of existing vanadium oxide cathode materials reported in the literature. This study underscores the effective integration of theoretical insights and experimental validation, contributing to the advancement of high-performance energy storage technologies.

Enhanced electrical activity in detrusor smooth muscle (DSM) cells is a key factor in detrusor overactivity which causes overactive bladder pathological disorders. Transient receptor potential melastatin-4 (TRPM4) channels, calcium-activated cation channels, play a role in regulating DSM electrical activities. These channels likely contribute to depolarizing the DSM cell membrane, leading to bladder overactivity. Our research focuses on understanding TRPM4 channel function in mouse DSM cells using computational modeling. We aimed to create a detailed computational model of the TRPM4 channel based on existing electrophysiological data. We employed a modified Hodgkin-Huxley model with an incorporated TRP-like current to simulate action potential firing in response to current and synaptic stimulus inputs. Validation against experimental data showed close agreement with our simulations. Our model is the first to analyze the TRPM4 channel's role in DSM electrical activity, potentially revealing insights into bladder overactivity. In conclusion, TRPM4 channels are pivotal in regulating human DSM function and TRPM4 channel inhibitors could be promising targets for treating overactive bladder.