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.

Superscaling in electron scattering from nuclei is re-examined paying special attention to the definition of the averaged single-nucleon responses. The validity of the extrapolation of nucleon responses in the Fermi gas has been examined, which previously lacked a theoretical foundation. To address this issue, we introduce new averaged responses with a momentum distribution smeared around the Fermi surface, allowing for momenta above the Fermi momentum. This approach solves the problem of negativity in the extrapolation away from the scaling region and, at the same time, validates its use in the scaling analysis. This work has important implications for the interpretation of scaling data and contributes to the development of a more complete understanding of the scaling approach.

It is extremely fascinating and astonishing that the gravitational field on the surface of a neutron star is with a relativistic mass density of 2.65*10¹⁶~5.87*10¹⁸kgm^-3 which can be larger than the mass density of the neutron star (~10¹⁷kgm^-3).Therefore, it is the author’s first intuitional imagining that this field could directly convert into mass. In so strong a gravitational field, electron and proton could be produced directly from graviton–photon collision. The gravitational field exists in everywhere in our universe. No vacuum that the region of a space is “empty” does exist. A particle is clearly always being acted on by the gravitational field. The quantum vacuum fluctuation and vacuum polarization need be re-understood with the interaction between photon and gravitational field. Therefore, the gravitational field is naturally one of the foundations of modern physics.

Quantum revival phenomena, wherein the wave function of a quantum system periodically returns to its initial state after evolving in time, are investigated in this study. Focusing on electrons confined within a quantum box with an impurity, both weak and strong coupling regimes are explored, revealing intricate relationships between impurity parameters and temporal dynamics. The investigation considers the influence of impurity position, impurity strength, and external factors such as aluminum concentration, temperature, and hydrostatic pressure on classical periods and revival times. Through analytical derivations and graphical analyses, the study elucidates the sensitivity of quantum revivals to these parameters, providing valuable insights into the fundamental aspects of quantum mechanics. While no specific physical applications are discussed, the findings offer implications for quantum heat engines and other quantum-based technologies, emphasizing the importance of understanding quantum revivals in confined quantum systems.

A calculation is presented for the mass relationships between electron, muon and the tau particle. It is shown that charged leptons with mass levels beyond the one of the tau particle cannot exist because of insufficient binding energy. The underlying mechanism of the relationship between the leptons is the isospin feature of Dirac particles, which appears being a substantial attribute next to nuclear angular spin. It is further shown that the energy of the elementary electric charge, such as embodied by the mass of an electron, is due to the interaction between the isospins of the pion’s quark and antiquark.

A topological quantum interplay between the magnetic flux and the mass has been investigated, for the case of an electron, by evaluating a gauge-invariant phase factor (a Wilson loop) linked to the electromagnetic gauge field of the particle. In particular, from this phase factor and the quantization of the magnetic flux variations, a relationship between the mass at rest of the electron and its self-energy , arising from radiative corrections, has been obtained also within a QED approach. Besides, a formulation of an energy scale comparable to the energy at rest of an electron-positron pair is proposed. Remarkably, a reckoning of the Bohr energy of a W⁺ W^- pair is compatible with constants and parameters usually employed within the electroweak theory and comparable to the energy at rest of an electron-positron pair.

Vibrational overtones in deeply bound molecules are sensitive probes for variation of the proton-to-electron mass ratio μ. In nonpolar molecules, these overtones may be driven as two-photon transitions. Here, we present procedures for experiments with O₂⁺, including state-preparation through photoionization, a two-photon probe, and detection. We calculate transition dipole moments between all X²П_g vibrational levels and those of the A²П_u excited electronic state. Using these dipole moments, we calculate two-photon transition rates and AC-Stark-shift systematics for the overtones. We estimate other systematic effects and statistical precision. Two-photon vibrational transitions in O₂⁺ provide multiple routes to improved searches for μ variation.

Plasma plays an important role in semiconductor processes. With the recent miniature and integration, the control of plasma became essential for the success in critical dimension of a few nanometers and etch narrow and deep holes with high aspect ratios. Recently, the etching process has reached physical limitations due to a significant increase in wafer surface temperature under the elevated amount of RF power, affecting not only the warpage phenomenon but also etching uniformity and etching profiles. Therefore, the plasma characteristics are identified using invasive single Langmuir probe (SLP) for wafer temperature diagnosis. Optical data is obtained through a non-invasive optical emission spectroscopy (OES) and the plasma parameters are derived to compare and verify with the SLP. Two variables, electron temperature and electron density, are substituted for the heat flux formula to derive the heat flux according to its location. Using a wafer-type temperature sensor, check the derived heat flux values and compare trends. Such studies are expected to be able to calculate heat flux values in real time, anticipate wafer temperatures, and solve existing problems.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a novel betacoronavirus, is the causative agent of COVID-19, which has caused economic and social disruption worldwide. To date, many drugs and vaccines have been developed for the treatment and prevention of COVID-19 and have effectively controlled the global epidemic of SARS-CoV-2. However, SARS-CoV-2 is highly mutable, leading to the emergence of new variants that may counteract current therapeutic measures. Electron microscopy (EM) is a valuable technique for obtaining ultrastructural information about the intracellular process of virus replication. In particular, EM allows us to visualize the morphological and subcellular changes during virion formation, which would provide a promising avenue for the development of antiviral agents effective against new SARS-CoV-2 variants. In this review article, we present our recent findings using transmission electron microscopy (TEM) combined with electron tomography (ET) to demonstrate the morphologically distinct types of SARS-CoV-2 particles and the application of EM analysis to evaluate genetically engineered viruses.

Electroactive microorganisms have received a lot of interest in the field of environmental engineering and biotechnology because of their extracellular electron transfer (EET) capability of energy recovery and environmental remediation. However, the low efficiency of EET remains a barrier to its practical implementation. This review presents an introduction to EET, followed by addressing strategies for enhancing EET through different approaches including enhancing EET by mediator materials, external electricity, photo, and magnetism as well as integrated strategies, that is, the combination of multiple means to promote extracellular electron transport and improve the performance of microbial electrochemical systems. Finally, the challenges, perspectives, and new directions for EET enhancement will be discussed.

Scanning electron microscopy (SEM) is a powerful tool in the domain of material science, mining, and geology, owing to its enormous potential to provide unique insights into the micro and nanoscale worlds. This comprehensive review discusses the background development of SEM, basic SEM operation including the specimen preparation and imaging process, and fundamental theoretical calculations underlying the SEM operation. It provides foundational understanding to the engineers and scientists, who never got a chance to dig in-depth into the SEM, to understand the working and development of this robust analytical technique. The present review covers how SEM has been serving as a crucial tool in mineral characterization, with specific discussions on the working and research fronts of SEM-EDX, SEM-AM, SEM-MLA, and QEMSCAN. With automation gaining pace in the development of all spheres of technology, the understanding of uncertainties in SEM measurements is very important. The constraints in mineral phase identification by EDS spectra and sample preparation are conferred. In the end, future research directions for SEM are analyzed with the possible incorporation of machine learning, deep learning, and artificial intelligence tools, for automating the process of mineral identification, quantification, and efficient communication with the researchers, so that the analytical process robustness and objectivity can be improved, and the analysis time and the involved costs can be brought down. This review also discusses the idea of integrating robotics with SEM, to make the equipment portable, so that further mineral characterization insights can be gained not only on earth but also on other terrestrial grounds.

The main aspects of material research: material synthesis, material structure, and material properties, are interrelated. Acquiring atomic structure information of electron beam sensitive materials by electron microscope, such as porous zeolites, organic-inorganic hybrid perovskites, metal-organic frameworks, is an important and challenging task. The difficulties in characterization of the structures will inevitably limit the optimization of their synthesis methods and further improve their performance. The emergence of integrated differential phase contrast scanning transmission electron microscopy (iDPC-STEM), a STEM characterization technique capable of obtaining images with high signal-to-noise ratio under lower doses, has made great breakthroughs in the atomic structure characterization of these materials. This article reviews the developments and applications of iDPC-STEM in electron beam sensitive materials, and provides an outlook on its capabilities and development.

The [3+2] cycloaddition (32CA) reactions of strongly nucleophilic norbornadiene (NBD) with simplest diazoalkane (DAA) and three DAAs of increased electrophilicity have been studied within the Molecular Electron Density Theory (MEDT) at the MPWB1K/6-311G(d,p) computational level. These pmr-type 32CA reactions follow an asynchronous one-step mechanism with activation enthalpies ranging from 17.7 to 27.9 kcal·mol-1 in acetonitrile. The high exergonic character of these reactions makes them irreversible. The presence of electron-withdrawing (EW) substituents in the DAA increases the activation enthalpies, in complete agreement with the experimental slowing-down of the reactions, but contrary to the Conceptual DFT prediction. Despite the nucleophilic and electrophilic character of the reagents, the global electron density transfer at the TSs indicates rather non-polar 32CA reactions. The present MEDT study allows establishing that the depopulation of the NNC core in this series of DAAs with the increase of the EW character of the substituents present at the carbon center is responsible for the experimentally found deceleration.

In this paper, we propose an assumption of which the relation between electron and phonon is discussed and investigated based on the experiment of γ photon and electric interconverting with each other. We calculated the charge of a particular standing wave topology with Maxwell’s equation rotated in accordance space with the SO3 transformation. The derived charge value is 1.6035 × 10E−19C around 0.0826% different from the experimental data, indicating the proposal is a promising theory to explain the origin of charge and spin of electron particle. Electron spin angular momentum comes from the orbital angular momentum of photon rotation (electromagnetic field rotation), and electron charge comes from photon, that is, the space-time rotation effect of electromagnetic wave.

The present study investigation, our results on characterization of commercially pure-Ti alloy brazed with metallic glass ribbons of Ti20Zr20Cu60-xNix (x = 30, 40, and 50) metallic glass ribbons were produced using a vacuum melt spinner. These ribbons were then used as filler materials for vacuum brazing of two Ti alloy plates at 1268, 1277 and 1279 K for a period of 10 min. Field-Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM) and the energy dispersive X-ray spectroscopy (EDX). The as-spun ribbons showed fully amorphous structure when examined on both surfaces by XRD and also verified by TEM investigation. The brazing joint of two Ti-plates using the metallic glass ribbon when brazed with Ni50 was found to be of very high strength. FESEM characterization of the cross-section of the brazed joints shows sub-micron size grains uniformly distributed in the matrix with brighter appearance. FESEM and EDX analysis revealed that the sub-micron grains are rich in Ti & Ni while the matrix phase mainly consisted of Ti. BSE image along with EDS Analysis indicated that the brazed joint has a presence of NiTi2 and Cu2 (Ni Zr) phases which could be responsible for increase in the strength of the brazed joint.

An innovative superconducting mechanism was developed based on a patented discovery of room temperature superconductivity in several thorium (Th) salts or compounds. The rationale behind this discovery is through the experimental results about the unique electrical and magnetic properties of these Th salts. Accordingly, this new superconducting mechanism for these Th salts was obtained through the analyses of the compounds’ molecular configurations and the packings of their relevant crystal structures. Owing to the distinctive properties of the Th compounds in this discovery, we further established a different electron pairing scheme as opposed to the pairing of the Cooper pairs. Compared to the long distance electron pairing of the Cooper pairs, the new electron pairing in our mechanism is constructed by two closely correlated electrons that reside on the same atomic orbital of the Th cation as an electron lone pair. In this new superconducting mechanism, the Th cation is sitting on a relevant crystallographic lattice arrangement or a network of the relevant Th compounds. This network is constructed by many Th cations along certain crystallographic lattice arrangement where each Th cation contains one electron lone pair. This network allows the electron lone pairs on the Th cations to be delocalized over the network, “in pair”, and thus, reveals the electron lone pair in presence in a long distance fashion. The closely correlated electron lone pairs hop on this network and thus, construct the supercurrent over the network. This explanation about the superconductivity laid the basis for our superconducting mechanism. All these conclusions came from the previous studies about these compounds that illustrated their unusual features of a coexistence of high electrical conductivity and diamagnetism. These electrical and magnetic properties fall in line with that of superconductors but, surprisingly, these Th compounds have such properties at the ambient condition, meaning under room temperature and atmosphere pressure. We expect that this mechanism may be appropriate to be utilized to other superconducting cases, either conventional or unconventional, and therefore, can be adapted to describe the superconducting phenomenon for other superconductors.

Machine Learning deals with creating algorithms capable of learning from the provided data. These systems have a wide range of applications and can also be a valuable tool for scientific research which in recent years has been focused on finding new diagnostic techniques for particle accelerator beams. In this context SPARC_LAB is positioned, a facility located at the Frascati National Laboratories of INFN, where the progress of beam diagnostics is one of the main developments of the entire project. With this in mind, you aim to present the design of two neural networks aimed at predicting the spot size of the electron beam of the plasma-based accelerator at SPARC_LAB, which powers an undulator for the generation of x-ray Free Electron Laser (XFEL). Data-driven algorithms use two different data preprocessing techniques, namely autoencoder neural network and PCA. With both approaches, the predicted measurements can be obtained with an acceptable margin of error and most importantly without activating the accelerator, thus saving time, even compared to a simulator that can produce the same result but much more slowly. The goal is to lay the groundwork for creating a digital twin of linac and conducting virtualized diagnostics using an innovative approach.

The dimethylaminophenyl-substituted silver phthalocyanine [dmaphPcAg] can be used as a UV-vis photoinitiator for in situ preparation of a silver/polymer nanocomposite. To verify early steps of the supposed mechanism of radical polymerization, we performed quantum chemical calculations of m[dmaphPcAg]q complexes with charges q = +1 to -2 in the two lowest spin states m, of a free ligand and its dehydrogenated/deprotonated products m[dmaphPcHn]q, n = 2 to 0, q= 0, -1 or -2, in the lowest spin states m. The calculated electronic structures and electron transitions of all the optimized structures in CHCl3 solutions are compared with experimental EPR and UV-vis spectra, respectively. The unstable 3[dmaphPcAg]+ species deduced only from previous EPR spin trap experiments was identified. In addition to 2[dmaphPcAg]0, our results suggest the coexistence of both reaction intermediates 1[dmaphPcAg]- and 3[dmaphPcAg]- in reaction solutions. Silver nanoparticle formation is a weak point of the supposed reaction mechanism from the energetic, stereochemistry, and electronic structure points of view.

Over the past two decades, covalent organic frameworks (COFs) have become the most widely studied porous crystalline materials. Its specific physical and chemical properties are determined by the arrangement of atoms (crystal structure). Therefore, the determination of its structure is arguably the most important characterization step for COFs. Although single crystal X-ray diffraction (SCXRD) is the most widely used method for structure determination, the size of COF crystals is too small, or their crystal quality is so poor that confirmation of their structure is limited to lattice fringes by transmission electron microscopy (TEM). At present, many 2D-COFs have clear PXRD patterns, but not all 2D-COFs can obtain specific lattice fringes. This severely hinders the development of the COF field. Here, we discover the lattice shrinkage behavior of COFs under electron beam irradiation by comparing the lattice fringes of 2D-COFs under different conditions. By comparing the lattice fringes of TAPT-TFPT COF at room temperature and under liquid nitrogen freezing conditions, we found that the lattice fringes are in good agreement with the Powder X-ray diffraction (PXRD) and theoretical values of COF (2.213 nm) under freezing conditions, however, the lattice fringe spacing is only 1.656 nm at room temperature. The discovery not only provides new insights into the TEM characterization of COFs, but also further expands the range of crystalline COF materials.

Multipactor is a common discharge phenomenon occurred in space microwave systems. The surface microstructure has been verified to be effective to mitigate multipactor. In this work, we design a square coaxial low-pass filter (SCLPF) with dielectric sheets loaded to check the multipactor dependence on the structure parameters of the loaded dielectric sheets, and further model groove structures on the sensitive area surface to lower the risk of multipactor. Simulation results indicate that the SCLPF loaded with alumina and PTFE exhibits good operational characteristics, and the multipactor threshold is significantly improved after introducing the surface grooves. Then we investigate the effects of three typical groove parameters, groove depth, groove number, and aspect ratio, on the multipactor threshold of the SCLPF device. The results show that the multipactor threshold raise at first as the groove number and groove depth increase, and then the threshold reaches a saturation status. For a deeper analysis of multipactor, we discuss how the grooves shelter the secondary electrons, and further mitigate the electron avalanche. Furthermore, the mechanisms of threshold saturation under the effect of groove parameters are analyzed in detail, and a contour map for the multipactor threshold of PTFE-loaded SCLPFs is given, which makes significant sense for predicting the multipactor threshold of the devices with its sensitive surface being grooved. The regularity of modulating the multipactor threshold by the groove structures obtained in this study is of engineering significance for suppressing multipactor in microwave devices in practical applications.

For many disciplines of science, all conceivable collisional cross sections and reactions must be precisely known. Although the recent decades were a trial of large-scale research to give these data, many essential atomic and molecular cross section data still missing, and the reliability of the existing cross sections has to be validated. In this paper, we present electron stripping, electron capture, and system breakdown cross sections in carbon (C5+) ions and lithium (Li2+) ions collisions with atomic hydrogen based on the Monte Carlo models of classical and quasi-classical trajectories. According to our expectation, the QCTMC results show higher results in comparison to standard CTMC data, emphasizing the role of Heisenberg correction constraint, especially in the low energy regime. On the Other hand, at high energy, the Heisenberg correction term has less influence as a projectile momentum increase. We present the total cross sections of electron stripping, electron capture, and system breakdown in C5+ ions and Li2+ ions collisions with atomic hydrogen in the impact energy range from 10 keV to 160 keV, which is of interest in astrophysical plasmas, atmospheric sciences, plasma laboratories, and fusion research.

Sub-micro dislocation cellular structures formed during rapid solidification break the strength-ductility trade-off in laser powder bed fusion (LPBF)-processed 316L stainless steel through high-density dislocations and segregated elements or precipitates at the cellular boundaries. The high-density dislocation entangled at the cellular boundary accommodates solidification strains among the cellular structures and cooling stresses through elastoplastic deformation. Columnar grains with cellular structures typically form along the direction of thermal flux. However, the ultra-low misorientations between the adjacent cellular structures and their interactions with the cellular boundary formation remain unclear. In this study, we revealed the ultra-low misorientations between the cellular structures in LPBF-processed 316L stainless steel using conventional electron backscatter diffraction (EBSD), transmission Kikuchi diffraction (TKD), and transmission electron microscopy (TEM). The conventional EBSD and TKD analysis results could provide the misorientation angles smaller than 2° while the resolution mainly depends on the specimen quality and scanning step size, and so on. TEM technique with higher spatial resolution provides accurate information between adjacent dislocation cells with misorientation angles smaller than 1°. This study presents that TEM method is the better and more precise analysis method of the misorientation measurement of the cellular structures and provides insights into measuring the small misorientation angles between adjacent dislocation cells and nanograins in nanostructured-metals and alloys with ultrafine-grained microstructures.

To obtain a given structure in 3D building-up modes, it is necessary to use optimal surfacing modes that determine the amount of heat input in local areas. For this purpose, aluminum bronze was surfacing onto a deformed base and the structure and its characteristics in the surfacing and heat-affected zones were studied by the EBSD method. The heterogeneity of the formation of the structure in each selected zone is established, which indicates the heterogeneity of heat input in local areas of the material in one mode of surfacing. For typical cases of crystallization, a molecular dynamics simulation of crystallization processes with different heat input to the base with characteristics specified based on experimental data was carried out. It has been established that the amount of heat input determines the degree of melting and the inherited defectiveness of growing crystals. The formation of misorientation boundaries and crystallization centers of new grains is determined by the conditions of joint growth of grains with given crystallographic parameters of the computational model. Numerical calculations agree with the experimentally observed results.

In the perspective of designing complex concentrated alloys (CCAs) for structural applications, sigma (σ) phase is important. It is generally known to be an embrittling phase leading to a degradation in the mechanical properties of CCAs. This necessitates detailed investigations on the evolution of σ phase in these alloys. In the present study, an equiatomic CoCrCuMnNi CCA is chosen, in which σ phase appears at 800°C, as reported in a recent publication [1]. To this end, the present investigation aims at understanding the evolution of this phase so that its presence can be controlled for the purpose of preventing degradation in mechanical properties. In the present work, a vacuum arc melted alloy, after homogenisation (at 400°C for 5h), is heat-treated for different times ranging from 1 to 9h at 800°C followed by water quenching. Extensive characterisation has been carried out using X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) techniques to understand the sequence of σ phase precipitation at 800°C.

In the Standard Model of elementary particles, the rest mass, magnetic moment and electric charge of the electron are considered to be natural constants. In this article it is proposed that these properties can be calculated in a simple way from the corresponding Planck units using the well-known period doubling phenomenon in nonlinear dynamical systems. Periods corresponding to the values of the electron and positron properties belong to a subset of stable periods. The periodic structures of the rest energy and magnetic moment consist of three internal degrees of freedom, whereas the Coulomb energy of the electric charge consists of four. The number of period doublings for the elementary charge determines the value of the fine structure constant alpha.

We have investigated the effect of electron-beam irradiation by a forevacuum-pressure plasma-cathode electron source on the surface roughness and hardness of Al2O3- and AlN-based ceramics. The roughness increases with increasing temperature of the processed surface, while the hardness slightly decreases. For aluminum nitride ceramic, we find that the thermal conductivity increases by a factor of 1.5 to 2 depending on the electron-beam irradiation regime.

Abstract: Scavenging of electrogenerated superoxide radical anion (O2•−) by pyrogallol (PyH3) was investigated on the basis of cyclic voltammetry and in situ electrolytic electron spin resonance spectrum in N,N-dimethylformamide with the aid of density functional theory (DFT) calculations. Quasi-reversible dioxygen/O2•− redox coupe was modified by the presence of PyH3, suggesting that O2•− was scavenged by PyH3 through proton-coupled electron transfer (PCET) involving two proton transfer and one electron transfer. The DFT calculation suggested that the formation of hydrogen bond (HB) complex and the subsequent concerted-two-proton coupled electron transfer (2PCET) characterized by catechol moiety in PyH3 is plausible mechanism which embodies the superior kinetics of the O2•− scavenging by PyH3 as shown in the electrochemical results. Furthermore, it was clarified that three hydroxyl groups of PyH3 promote the formation of prereactive HB complex, in comparative analyses using related compounds, resulting the promotion of the O2•− scavenging.

Abstract: Elimination of superoxide radical anion (O2•−) by tocopherols (TOH), and related compounds was investigated on the basis of cyclic voltammetry and in situ electrolytic electron spin resonance spectral measurements in N,N-dimethylformamide (DMF) with the aid of density functional theory (DFT) calculations. Quasi-reversible O2/O2•− redox was modified by the presence of TOHs, suggesting that the electrogenerated O2•− was eliminated by α-, β-, γ-TOH through proton-coupled electron transfer (PCET), but not by δ-TOH. The structure–activity correlation of α-, β-, γ-, and δ-TOH characterized by methyl group on the 6-chromanol ring was experimentally confirmed, where the methyl group promotes the PCET mechanism. Furthermore, comparative analyses using some related chemical analogues suggested that methoxyl group of the 6-chromanol ring is required for a successful electron transfer (ET) to O2•− through the PCET. The electrochemical and DFT results in dehydrated DMF suggested that the PCET mechanism involves preceding proton transfer (PT) forming hydroperoxyl radical followed by a concerted PCET (ET–PT). The O2•− elimination by TOH proceeds efficiently along the net PCET mechanism involving one ET and two PTs.

The intramolecular ionic Diel-Alder (IIDA) reactions of two dieniminiums have been studied within the Molecular Electron Density Theory (MEDT) at the B97XD/6-311G(d,p) computational level. ELF topological analysis of dieniminiums shows that its electronic structure can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic character of dieniminiums accounts for the high intramolecular global electron density transfer taking place between the diene and iminium frameworks at the transition state structures (TSs) of these IIDA reactions. The activation enthalpy associated to the IIDA reaction of the experimental dieniminium, 8.7 kcal·mol-1, is closer to that of the ionic Diels-Alder (I-DA) reaction between butadiene and ethaniminium, 9.3 kcal·mol-1. However, the activation Gibbs free energy of the IIDA reaction is 12.7 kcal·mol-1 lower than that of the intermolecular I-DA reaction. The strong exergonic character of the IIDA reaction, higher than 17 kcal·mol-1, makes the reaction irreversible. These IIDA reactions present a total re/exo and si/endo diastereoselectivity, which is controlled by the most favourable chair conformation of the tetramethylene chain. Electron localization function (ELF) topological analysis of the single bond formation indicates that these IIDA reactions take place through a non-concerted two-stage one-step mechanism. Finally, ELF and atoms-in-molecules (AIM) topological analyses of the TS associated to inter and intramolecular processes show the great similitude among them.

The elimination of superoxide radical anions (O2•−) by 5-amino-2-hydroxybenzoic acid (mesalazine, 5-ASA), 4-amino-2-hydroxybenzoic acid (4-ASA), and related compounds used for ulcerative colitis treatment was investigated using cyclic voltammetry and electron spin resonance (ESR) analyses aided by density functional theory (DFT) calculations. Quasi-reversible O2/O2•− redox was found to be modified by the compounds, suggesting that an acid-base reaction in which a hydroperoxyl radical (HO2•) is formed from O2•− occurs. However, the deprotonated 5-ASA anion can eliminate O2•− through proton-coupled electron transfer (PCET), forming a radical product. This electron transfer (ET) was confirmed by ESR analysis. The 4-aminophenol moiety in 5-ASA plays an important role in the PCET involving two proton transfers and one ET based on -conjugation. The electrochemical and DFT results indicated that O2•− elimination by 5-ASA proceeds efficiently viathrough the PCET mechanism after deprotonation of the 1-carboxyl group. Thus, 5-ASA may act as an anti-inflammatory agent in the alkali intestine through PCET-based O2•− elimination.

We introduce a device for automatic detection and reporting of crawling insects in urban environments. It is a monitoring device for urban pests that complies with the context of smart homes, smart cities and is compatible with the emerging discipline of the Internet of Things (IoT). We believe it can find its place to every room of a hotel, hospital, military camp and residence. This box-shaped device attracts targeted insect pests, senses the entering insect and takes automatically a picture of the internal space of the box. The picture is communicated through the Wi-Fi commonly found in such establishments to an authorized person/stakeholder receiving the picture to take proper action. The e-trap includes strong attractants (pheromone and/or food) to increase capture efficiency. The insect is trapped on the sticky floor of the device. The device carries the necessary optoelectronic sensors to guard all entrances of the trap. As the insect enters it interrupts the infrared light source. This triggers a detection event; a picture is taken, and a time-stamp is set before reporting the event through the Wi-Fi. The device can be integrated seamlessly in urban environments and operates unobtrusively to human activities. We report results on various insect pests and depending on the insect species, can reach a detection accuracy ranging from 96-99%.

The critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels-Alder (P-DA) reactions of cyclopentadiene with cyanoethylene derivatives, for which experimental kinetic data are available, have been chosen. A complete linear correlation between the computed activation Gibbs free energies and the GEDT taking place at the polar transition state structures (TSs) is found; the higher the GEDT at the TS, the lower the activation Gibbs free energy. An interacting quantum atoms (IQA) energy partitioning analysis allows establishing a complete linear correlation between the electronic stabilization of the electrophilic ethylene frameworks and the GEDT taking place at the polar TSs. This finding supports Parr’s proposal for the definition of the electrophilicity  index (J. Am. Chem. Soc., 1999, 121, 1922). The present MEDT study allows establishing the critical role of the GEDT in the acceleration of polar reactions, since the electronic stabilization of the electrophilic framework with the electron density gain is greater than the destabilization of the nucleophilic one, making a net favorable electronic contribution to the decrease of the activation energy.

As sessile organisms, plants face a wide range of abiotic stresses, with salinity being a prominent constraint affecting their growth, development, and productivity, particularly in arid and semi-arid regions. This study focused on understanding how salinity impacts Jatropha curcas, an important oilseed plant for biodiesel production. By examining the anatomy and ultrastructure of stomata and chloroplasts, we investigated the effects of prolonged salinity stress on J. curcas. This stress led to changes in stomatal density, stomatal index, and ostiole aperture, which case an imbalance of water conductivity in the xylem. Through transmission electron microscopy, we explored the subcellular organization of J. curcas chloroplasts and their contribution to plant photosynthetic efficiency, providing insights into their role in this process. Notably, salinity treatment resulted in a significant increase in starch granules accumulation, leading to impaired the granal and stromal grana lamellae, destroying this ultrastructure. Our findings indicate that the anatomy and ultrastructure of chloroplasts play a crucial role in influencing photosynthetic efficiency and hydraulic conductivity. This study offers new perspectives on the structure and function of chloroplasts in J. curcas, presenting innovative opportunities to develop strategies that enhance biofuel production in areas with high soil salinity.

The ionic Diels-Alder (I-DA) reactions of a series of six iminium cations with cyclopentadiene have been studied within the Molecular Electron Density Theory (MEDT). The superelectrophilic character of iminium cations,  > 8.20 eV, accounts for the high reactivity of these species participating in I-DA reactions. The activation energies are found between 13 and 20 kcal·mol-1 lower in energy than those associated to the corresponding Diels-Alder (DA) reactions of neutral imines. These reactions are low endo selective as a consequence of the cationic character of the TSs, but highly regioselective. Solvents have poor effects on the relative energies, and an unappreciable effect in the geometries. In dichloromethane the activation energies increase slightly as a consequence of the better solvation of the iminium cations than the cationic TSs. ELF topological analysis of the bonding changes along the I-DA reactions shows that they are very similar to those in polar DA reactions. The present MEDT study makes it possible establishing that the global electron density transfer (GEDT) taking place at the TSs of I-DA reactions, and not steric (Pauli) repulsions such as have been recently proposed, are responsible for the features of these type of DA reactions.

The electronic structure and the participation of the simplest azomethine imine (AI) in [3+2] cycloaddition (32CA) reactions have been analysed within the Molecular Electron Density Theory (MEDT) using DFT calculations at the MPWB1K/6-311G(d) level. Electron localisation function (ELF) topological analysis reveals that AI has a pseudoradical structure, while the conceptual DFT reactivity indices characterise this TAC as a moderate electrophile and a good nucleophile. The non-polar 32CA reaction of AI with ethylene takes place through a one-step mechanism with low activation energy, 5.3 kcal/mol-1. A bonding evolution theory (BET) study indicates that this reaction takes place through a non-concerted [2n+2τ] mechanism in which the C–C bond formation is clearly anticipated prior to the C–N one. On the other hand, the polar 32CA reaction of AI with dicyanoethylene takes place through a two-stage one-step mechanism. Now, the more favourable regioisomeric transition state structure (TS) is located 8.5 kcal•mol⁻¹ below the reagents, in complete agreement with the high polar character of the TS. The current MEDT study makes it possible to extend Domingo’s classification of 32CA reactions to a new pra-type of reactivity.

Friction and wear take place on two solid surfaces in sliding contact as a result of the mechanical, thermal and chemical interactions with the participation of environmental species. Electron microscopy and the associated spectroscopic analyses are powerful in probing these mechanisms in spatial resolutions from micro to atomic scale. This article provides a review of the author’s work in the wear and friction mechanisms of PVD hard coatings in which various SEM- and TEM-based microscopic and spectroscopic techniques were employed. Understanding on the failure mechanisms and the origin of self-adaptive friction has been improved to nano-scale. Other related issues are also discussed, such as sample preparation techniques for cross-sectional electron microscopy, energy dispersive X-ray spectroscopy and electron energy loss spectroscopy.

It is of great academic significance to understand how the atomic structure of interfaces and boundaries in materials impacts the magnetic coupling nature across the boundaries and encourage development of state-of-the-art magnetic devices. Here, we carry out a systematic investigation of the atomic and electronic structures of twin boundaries (TBs) in LiFe5O8 thin films and determine their concurrent magnetic couplings using atomic-resolution transmission electron microscopy and atomistic first-principles calculations. The results show ferromagnetic or antiferromagnetic coupling can exist across the different TBs in LiFe5O8 (LFO) thin films and electrical structures within a few atomic layers directly rely on the TB atomic core structures. Uncovering one-to-one relationship between the magnetic properties of individual TB and the local atomic structures will clarify a thorough comprehension of numerous fascinating magnetic properties of commonly utilized magnetic materials, which will undoubtedly encourage the progress of sophisticated magnetic materials and devices.

Point-contact spectroscopy has been performed on bulk samples of electron-doped high temperature superconductor Nd2-xCexCuO4-. The samples were characterized by X-ray diffraction and scanning electron microscopy equipped with a wavelength dispersive spectrometer and an electron backscatter diffraction detector. The samples with a Ce content x = 0.15, show the absence of spurious phases and randomly oriented grains, most of which have dimensions of approximately 220 µm2. The low-bias spectra in the tunnelling regime, i.e., high transparency interface, exhibit a gap feature at about ±5 meV and no zero-bias conductance, consistent with the most literature data on oriented samples. The high-bias conductance has also been measured in order to obtain information on the properties of the barrier. A V-shape has been in some cases observed, instead of the parabolic behavior expected for tunnel junctions.

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.

Our knowledge of electricity is based on two parallel lines of research: one focusing on ‘charge’, the other on ‘electron’. The distinction is blurred. The difficulty is that the fundamental nature of elementary charge is unknown. Here I present evidence that charge is a resting electron and electron is a moving charge – one physical entity two behavioural identities. That is, charge is nonrelativistic electron and electron is relativistic charge. Charges obey the laws of static electricity (electrostatics); electrons obey the laws of moving electricity (electrodynamics). Whether positive or negative, a charge is ejected from the atom at tremendous speed, losing the characteristics of ‘a charge’ and gaining those of ‘an electron’. I conclude that an atom, hence nature in general, contains an equal number of positive and negative electrons, recognised at rest as opposite charges. This solves the mystery of the electron-positron numerical asymmetry. It means that static positions and negatrons (charges) play equivalent roles as subatomic building blocks of matter, revealing a new atomic structure.

I demonstrate that the macrocosmic gravitational interaction between two masses and the microcosmic electrostatic interaction between two charges unify in simple concepts and mathematical laws when electric charge and ordinary mass are interpreted in reciprocal terms. No previous research has ever attempted to unify charge and mass. The difficulty has been lack of an intelligible definition of charge. A three-point paradigm shift solves the problem, giving convincing evidence – for the first time – that positron and negatron are the ultimate elementary particles. That is, matter is pure positive and negative grains of electricity. Paradigm shift #1: Electron is a moving charge; a charge is static electron – ‘one entity two identities’. This implies that ordinary matter contains equal numbers of positive and negative electrons – observed in motion as ‘electrons’ and at rest as ‘charges’. In motion, a positron-negatron pair obeys the laws of electrodynamics and annihilates; at rest, the pair obeys the laws of electrostatics and neutralizes. Paradigm shift #2: Electron mass and electrostatic field are either positive or negative. Opposite masses and fields, rather than indefinable ‘charge’, make opposite electrons physically different. Paradigm shift #3: Electric charge and ordinary mass interconvert. Positive charge (e⁺) and negative charge (e^-) neutralize to neutral charge (2e⁰), which is nature’s quantum of ordinary mass. Conversely, a quantum of ordinary mass splits to opposite charges e.g. in frictional electrification. The insights systematize the search, identification and classification of ‘elementary particles’, ending decades of confusion in the ‘elementary particle zoo’. They identify a new, stable subatomic particle – a third nucleon.

In the succinic acid-producing bacterium Pseudoclostridium thermosuccinogenes the fumarate reductase (FRD) genes reside in an operon together with those encoding an electron bifurcating complex (FlxABCD-HdrABC) that shuttles electrons from NADH to ferredoxin and a disulfide bond. Based on phylogeny and genomic co-occurrence we propose two hypothetical mechanisms via which the FRD is involved in electron bifurcation: (I) A disulfide bond from a hitherto unknown cofactor is reduced by the electron-bifurcating FlxABCD-HdrABC complex, using NADH to generate two thiol groups, while facilitating the unfavourable reduction of ferredoxin by NADH. The disulfide bond is subsequently regenerated via the reduction of fumarate by the FRD using the previously formed thiol groups. (II) The FRD forms an integral part of the FlxABCD-HdrABC complex, and NADH is used to reduce ferredoxin and fumarate directly, without an intermediate disulfide-forming cofactor. Either way enables the conservation of additional energy by a soluble FRD, analogous to fumarate respiration.

Background/Aim: There is continuing interest in engineering esthetic labial archwires. The aim of this study was to coat nickel-titanium (NiTi) and beta-titanium (β-Ti), also known as titanium molybdenum (TMA), archwires by plasma electrolytic oxidation (PEO) and to analyze the characteristics of the PEO-surfaces. Materials and Methods: PEO-coatings were generated on 0.014-inch NiTi and 0.19x0.25-inch β-Ti archwires. The surfaces were analyzed by scanning electron microscopy and stereomicroscopy. Cytocombability testing was performed with ceramized and untreated samples according to EN ISO 10993-5 in XTT-, BrdU- and LDH-assays. The direct cell impact was analyzed using LIVE-/DEAD-staining. In addition, the archwires were inserted in an orthodontic model and photographs were taken before and after insertion. Results: The PEO coatings were 15 to 20 µm thick and esthetically pleasing. The cytocompatibility analysis revealed good cytocompatibility results for both ceramized NiTi and β-Ti archwires. In the direct cell tests, the ceramized samples showed improved compatibility as compared to those of uncoated samples. However, bending of the archwires resulted in loss of the PEO-surfaces. Nevertheless, it was possible to insert the β-Ti PEO-coated archwire in an orthodontic model without loss of the PEO-ceramic. Conclusion: PEO is a promising technique for the generation of esthetic orthodontic archwires. Since the PEO-coating does not resist bending, its clinical use seems to be limited so far to orthodontic techniques using straight or pre-bended archwires.

Bitumen aging is the major factor which contributes to the deterioration of the road pavement. Oxidation and volatilization are generally considered as the most important phenomena affecting aging in asphalt paving mixtures. The present study was carried to investigate whether various antioxidants provided by natural resources such as phospholipids, ascorbic acid as well as lignin from rice husk, could be used to reduce age hardening in asphalt binders. A selected bituminous material was modified by adding 2 % w/w of the anti-aging natural additives and subjected to accelerated oxidative aging regimes according to the Rolling Thin Film Oven Test (RTFOT) method. The effects of aging were evaluated based on changes in sol-gel transition temperature of modified bitumens measured through Dynamic Shear Rheology (DSR). Moreover, changes of Electron Paramagnetic Resonance (EPR) spectra were monitored on the bituminous fractions asphaltene and maltene separated by solvent extraction upon oxidative aging. The phospholipids-treated binder exhibited the highest resistance to oxidation and the lowest age-hardening effect compared to the other tested anti-oxidants. The combination of EPR and DSR techniques represents a promising method for elucidating the changes in associated complex properties of bitumen fractions promoted by addition of free radical scavengers borrowed by green resources.

X-ray crystallographic and theoretical charge density data for a series of compounds [(Co(Ts3tren))M(Co(Ts3tren))] (M = Mg, Ca, Sr and Ba) is examined. The crystal structures are isostructural and the alkaline earth metal ions have the same arrangement of donor oxygen atoms despite the large variation in ionic radii. The isomorphism of these molecules is surprising and a theoretical examination of the electronic structures, with the different metal ions along the series, provides detailed insight into their stabilities. The theoretical and experimental data are consistent and agree well. The local properties of the Co(II) ion and its donor atoms are relatively independent of the alkali earth metal.

Band-gap alignment engineering has now been extensively studied due to its high potential application. Here we demonstrate a simple route to synthesize two metal oxide layers and align them together according to their bandgaps on surface of crystalline silicon (c-Si) solar cells. The metal oxide layers can not only extend absorption spectrum to generate extra carriers but also serve to separate electron-hole pairs more efficiently. As a consequence, the photovoltaic performance of SnO₂/CdO /Si double-layer solar cell (DLSC) is highly improved compared to CdO/Si and SnO₂/Si single-layer solar cells(SLSCs) and SnO₂/CdO/Si double-layer solar cell (DLSC). By the alignment engineering, the SnO₂/CdO/Si DLSC produces a short circuit photocurrent (J_sc) of 38.20 mA/cm², an open circuit photovoltage (V_oc) of 0.575 V and a fill factor (FF) of 68.7%, corresponding to a light to electric power conversion efficiency (η) of 15.09% under AM1.5 illumination. These results suggest that with the use of metal oxide layers by band-gap alignment engineering, new avenues have been opened for developing high-efficiency and cost-effective c-Si solar cells.

Self-phase modulation (SPM) broadening of laser spectra was studied in a transmission mode in natural and synthetic diamonds at variable laser wavelengths (515 and 1030 nm), pulse energies and widths (0.3 - 12 ps, positively chirped pulses), providing their filamentary propagation. Besides the monotonous SPM broadening of the laser spectra versus pulse energy, more pronounced for the (sub)picosecond pulsewiths and more doped natural diamond, periodical low-frequency modulation was observed in the spectra at the shorter laser pulsewidths, indicating dynamic Bragg filtering of the supercontinuum due to ultrafast plasma and nanoplasmonic effects. Damping of broadening and ultramodulation for the longer picosecond pulsewidths was related to thermalized electron-hole plasma regime established for the laser pulsewidths longer, than 2 ps. Unexpectedly, at higher pulse energies and corresponding longer microfilaments, the number of spectral modulation features increases, indicating dynamic variation of the periods in the longitudinal plasma Bragg gratings along the filaments due to prompt secondary laser-plasmon interactions.

We present here a theory of Majorana excitons, photo-excited conduction electron-valence band hole pairs, interacting with Majorana Fermions in a Kitaev chain of semiconductor quantum dots embedded in a nanowire. Using analytical tools and exact diagonalisation methods we identify the presence of Majorana Zero Modes in the nanowire absorption spectra.

Bacteria develop various defense mechanisms against stresses, including the bacteriophage infection. The giant phiKZ phage infection induced the appearance of a pseudo-nucleus inside the bacterial cytoplasm. Here, we used FISH, electron tomography and analytical electron microscopy to study the morphology of this unique nucleus-like shell and to demonstrate the distribution of phiKZ and bacterial DNA in infected P. aeruginosa cells. The maturation of the pseudo-nucleus was traced in short intervals for 40 min after infection. This study was accompanied by the identification of phiKZ and bacterial DNA by real-time RCR. We demonstrated that phage DNA that isolated from the cytoplasm during all infection stages were compacted within the pseudo-nucleus in a specific structure. Bacterial DNA was diminished in the course of infection, but did not completely degrade until at least 40 min after phage application. The content of the total phage DNA, on the other hand, increased. EDX analysis confirmed these results and revealed that, during the infection, Sulfur content in the bacterial cytoplasm increased, which suggests the increase of DNA-binding Met-reach proteins synthesis, which could protect bacterial DNA from stress.

The use of mixed-state ionic beams in collision dynamics investigations is examined. Using high resolution Auger projectile spectroscopy involving He-like ($1s^2\thinspace^1\!S, 1s2s\thinspace^{3,1}\!S$) mixed-state beams, the spectrum contributions of the $1s2s\thinspace^3\!S$ metastable beam component is effectively separated and clearly identified. This is performed with a technique that exploits two independent spectrum measurements under the same collision conditions, but with ions having quite different metastable fractions, judiciously selected by varying the ion beam charge-stripping conditions. Details of the technique are presented together with characteristic examples. In collisions of 4 MeV B$^{3+}$ with H$_2$ targets, the Auger electron spectrum of the separated $1s2s\thinspace^{3}S$ boron beam component allows for a detailed analysis of the formation of the $1s2s(^3\!S)nl \thinspace^2\!L$ states by direct $nl$ transfer. In addition, the production of hollow $2s2p\thinspace^{1,3}\!P$ doubly- and $2s2p^2\thinspace^2\!D$ triply-excited states, by direct excitation and transfer-excitation processes, respectively, can also be independently studied. In similar mixed-state beam collisions of 15 MeV C$^{4+}$ with H$_2$, He, Ne and Ar targets, the contributions of the $1s^2$, $1s2s\thinspace^{3,1}S$ beam components to the formation of the $2s2p\thinspace^{3,1}\!P$ states by double-excitation, $1s\rightarrow2p$ excitation and transfer-loss processes can be clearly identified, facilitating comparisons with theoretical calculations.

Many studies discuss carbon-based materials because of the versatility of its element. They include different opinions for scientific problems and discuss fairly at convincing and compelling levels within the scope and application. A gas-state carbon atom converts into various states depending on its conditions of processing. The electron transfer mechanism in the gas-state carbon atom is responsible to convert it into various states, namely, graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The shape of ‘energy trajectory’ enables transferring electrons from the left- and right-sides of an atom is like a parabola. That ‘energy trajectory’ is linked to states (filled state and suitable nearby unfilled state) where force-exertion along the poles of transferring electrons is remained balance. So, the mechanism of originating different states of a gas-state carbon atom is under the involvement of energy first. This is not the case for atoms executing confined inter-state electron-dynamics as the force is involved first. Graphite-, nanotube- and fullerene-state atoms ‘partially evolve partially develop’ (form) their structures. These possess one-dimensional, two-dimensional and four-dimensional ordering of atoms, respectively. Their structural formation also comprises ‘energy curve’ having a shape-like parabola. Transferring suitable filled state electron to suitable nearby unfilled state is under a balance force exerting along the poles. The graphite structure under only attained-dynamics of atoms can also be formed but in two-dimension. Here, binding energy between graphite-state carbon atoms is for a small difference of exerting forces along their opposite poles. Structural formation in diamond, lonsdaleite and graphene atoms involve energy to gain required infinitesimal displacements of electrons through which they maintain orientationally-controlled exerting forces along dedicated poles. In this study, the growth of diamond is found to be south to east-west (ground) where atoms bound ground to south. Thus, diamond atoms merge for a tetra-electron ground to south topological structure. Lonsdaleite atoms merge for a bi-electron ground to just-south topological structure. The growth of graphene is found to be north to ground where atoms bound ground to north. Thus, graphene atoms merge for a tetra-electron ground to north topological structure. Glassy carbon exhibits layered-topological structure where, tri-layers of gas-, graphite- and lonsdaleite-state atoms successively bind in repetitive order. Nanoscale hardness is also sketched based on different force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

Changing the film thickness to manipulate the microstructural properties has been considered as a potential method in practical application. Here, we report that atomic-scale structural properties regulated by film thickness in NiCO2O4(NCO)/CuFe2O4(CFO) bilayer heterostructure prepared on (001)-MgAl2O4 (MAO) substrate by means of aberration-corrected scanning transmission electron microscopy (STEM). The misfit dislocations at NCO/CFO interface and antiphase boundaries (APBs) bound to dislocations within the films both are found in NCO (40 nm)/CFO (40 nm)/MAO heterostructure to contribute to relaxation of mismatch lattice strain. In addition, the non-overlapping a/4[101]-APB is found and the structural transformation of this kind of APB is resolved at atomic scale. In contrast, only the interfacial dislocations form at interface without the formation of APBs within the films in NCO (10 nm)/CFO (40 nm)/MAO heterostructure. Our results provide evidence that formation of microstructural defects can be regulated by changing film thickness to tune magnetic properties of epitaxial bilayer spinel oxide films.

ATP-binding cassette (ABC) transporters, acting as cellular "pumps," facilitate solutes translocation through membranes via ATP hydrolysis. Their overexpression is closely tied to multidrug resistance (MDR), a major obstacle in chemotherapy and neurological disorder treatment, hampering drug accumulation and delivery. Extensive research has delved into the intricate interplay between ABC transporter structure, function, and potential inhibition for MDR reversal. Cryo-electron microscopy has been instrumental in unveiling structural details of various MDR-causing ABC transporters, encompassing ABCB1, ABCC1, ABCG2, as well as recently revealed ABCC3 and ABCC4 structures. The newly obtained structural insight has deepened our understanding of substrate and drug binding, translocation mechanisms, and inhibitor interactions. Given the growing body of structural information available for human MDR transporters and their associated mechanisms, we believe it is timely to compile a comprehensive review of these transporters and compare their functional mechanisms in the context of multidrug resistance. Therefore, this review primarily focuses on the structural aspects of clinically significant human ABC transporters linked to MDR, with the aim of providing valuable insights to enhance the effectiveness of MDR reversal strategies in clinical therapies.

Runaway electrons (RAEs) generation in high-pressure gases is an important physical phenomenon that influences significantly discharge shapes and properties of initiated plasma. The diffuse discharges formed due to RAEs in air and other gases at atmospheric pressure find wide application. In the present review, theoretical and experimental results that explain the reason for the RAEs occurrence at high pressures are analyzed and recommendations are given on the implementation of conditions under which the runaway electron beam (RAEB) with the highest current can be obtained at atmospheric pressure. Experimental results were obtained using subnanosecond, nanosecond, and submicrosecond generators, including those specially developed for runaway electron generation. The RAEB were recorded by oscilloscopes and collectors with picosecond time resolution. To describe theoretically the phenomenon of continuous electron acceleration, the method of physical kinetics has been used based on the Boltzmann kinetic equation that takes into account the minimum but sufficient number of elementary processes, including shock gas ionization and elastic electron scattering. Results of modeling allowed the main factors to be established that control the RAE appearance, the most important of which is electron scattering on neutral atoms and/or molecules. Theoretical modeling has allowed the influence of various parameters (including the voltage, pressure, gas type, and geometrical characteristics of the discharge gap) to be taken into account. The results of research presented here allow the RAEs accelerators with desirable parameters to be developed and the possibility of obtaining diffuse discharges to be accessed under various conditions. The review consists of the Introduction, 5 Sections, the Conclusion, and the References.

Dirac’s equation depicts electron mass as either positive or negative. Taken as correct description of nature, the equation identifies electron mass as ‘electrically active’ and therefore fundamentally different from the ordinary, ‘electrically passive’ mass. Following this cue, I demonstrate that electron mass (m_e) is the natural elementary mass: positive (m_e⁺) and negative (m_e^–) elementary masses neutralise to an elementary unit of the electrically passive mass (2m_e⁰). Further, I show that electron mass (m_e^± ) and the electrostatic field (e_f^±) surrounding it compose an elementary charge (e^±), thereby relating charge to mass. Two plain principles underlie these findings. 1) Electric charge and gravitational mass have a common root: positive (e⁺) and negative (e^–) charges coexist as neutral charge (2e⁰), which is the quantum of gravitational mass. 2) Charge is a static (nonrelativistic) ‘atom of electricity’ and obeys the laws of electrostatics; electron is the same ‘atom of electricity’ at ultrahigh (relativistic) speed and obeys the laws of electrodynamics. That is, charges are electricity at rest; electrons are electricity in motion – ‘same physical entities two behavioural identities.’ A decisive proof that this paradigm shift correctly portrays is that it verifiably unifies Newton’s law of gravity and Coulomb’s law of electrostatics to: 8G/m_pm_e = K/e²; where G and K are the respective constants, m_p the proton mass, m_e the electron mass, and e the elementary charge. Ultimately, the insights simplify matter to pure ‘atoms’ of positive and negative electricity.

Polymethyl methacrylate (PMMA) is a transparent thermoplastic with excellent optical properties, transparent surface, low moisture absorption, tensile and electrical resistance. In this study, the alloy was prepared through PMMA and cycloolefin copolymer (COC) due to some similar properties. The mechanical test showed that properties such as impact resistance, elongation, tensile, and flexural strength decreased by adding COC by up to 20% due to less incompatibility and miscibility, but mentioned properties improved by adding COC 40% due to sub-phase generation. The DSC and DMTA tests showed improvement in the thermal properties of alloys by adding 40% COC. SEM micrographs exhibited a softer surface and more phase elongation of the alloy. Finally, the sample was selected as the optimal sample in terms of mechanical properties irradiated by electron beam, and amplification results showed that a dose of 50 KGY increased the mechanical and thermal properties relatively.

Collective spread of aggregated viral particles may have beneficial effects on viral capability to survive in the external environment, to counteract immune responses, and to successfully colonize host cells. Here we ask whether SARS-Cov-2 particles, responsible for COVID-19, display collective clustering behavior. Looking at microphotographs and movies of SARS-Cov-2 particles emerging from the surface of cultured cells, we describe single virions that tend to aggregate in progressively larger globular assemblies, until a network-like appearance is achieved. When SARS-Cov-2 particles stick into each other, the squeezing of single virions leads to improved viral package in host’s fluids. We discuss how these findings might explain both the ability to spread of SARS-Cov-2 and the clinical severity of COVID-19 in humans, paving the way to novel therapeutic strategies to mechanically disrupt collective clustering.

Collisions of low energy electrons with molecules are important for understanding many aspects of the environment and technologies. Understanding the processes that occur in these types of collisions can give insights into plasma etching processes, edge effects in fusion plasmas, radiation damage to biological tissues and more. A radical update of the previous expert system for computing observables relevant to these processes, Quantemol-N, is presented. The new Quantemol Electron Collision (QEC) expert system simplifyies the user experience, improving reliability and implements new features. The QEC GUI interfaces the Molpro quantum chemistry package for molecular target setups and to the sophisticated UKRmol+ codes to generate accurate and reliable cross-sections. These include elastic cross-sections, super elastic cross-sections between excited states, electron impact dissociation, scattering reaction rates, dissociative electron attachment, differential cross-sections, momentum transfer cross-sections, ionization cross sections and high energy electron scattering cross-sections. With this new interface we will be implementing dissociative recombination estimations, vibrational excitations for neutrals and ions, and effective core potentials in the near future.

The exact etiology of myopia remains elusive. The author proposes the particle property of photon in living tissue and the photon-electron theory in living tissue, if the frequency of the photon exceeds the threshold, the photon has enough energy to strike the electron away and forms a hole of a diameter in photon diameter scale in living tissue include the eye. Longer time of high-frequency electromagnetic radiation will cause more holes and a larger radius of holes. The visual light which passes through the radiated hole in the eye cannot be refracted on the macula, this is myopia symptom of blurred vision, shortening the distance of the eye and the object will include more visual light into cornea and lens, this is myopia another symptom of nearsightedness. The particle property of photon causes elongation of the eye and the macular holes.Blue light and X-ray are two kinds of high-frequency electromagnetic radiation which can shot holes in eye and cause myopia.

Hetero-nanomaterials constructed by plasmonic metals and functional semiconductors show enormous potential in photocatalytic applications, such as water splitting, hydrogen production, CO₂ reduction, pollutants treatment. Their photocatalytic performances can be better regulated through adjusting structure, ingredient, and components arrangement. Therefore, the reasonable design and synthesis of metal/semiconductor hetero-nanostructures is of vital significance. In this article, we briefly review the recent progress in efficiently establishing metal/semiconductor nanomaterials for improved photocatalysis. The defined photocatalysts mainly include traditional binary hybrids, ternary multi-metals/semiconductor and metal/multi-semiconductors heterojunctions. The underlying physical mechanism for the improved photocatalytic activity of the established photocatalysts are highlighted. At the end of this article, a brief summary and possible future perspectives for further development in this field are demonstrated.

In the last decades bioresorbable and biodegradable polymers have gained a very good reputation both in research and in industry thanks to their unique characteristics. They are, indeed, able to ensure high performances and biocompatibility, at the same time avoiding post-healing surgical interventions for devices removal. In the medical device industrial use of such biopolymers, it is widely known that product formulation and manufacturing need to follow specific procedures in order to ensure both proper mechanical properties and desired degradation profile. Moreover, also the sterilization method is crucial and its impact on physical properties is generally underestimated. In this work we focused our attention on the effect of different terminal sterilization methods on two commercially available poly(L-lactide-co-ε-caprolactone) with equivalent chemical composition (70% PLA and 30% PCL) and relatively similar initial molecular weight, but different chains arrangement and crystallinity. Results obtained show that crystallinity plays a key role, helping in preserving the narrow distribution of chains and, as a consequence, defined physical properties. These statements can be used as guidelines for a better choice of the most adequate biodegradable polymers in the production of resorbable medical devices.

The purpose of this study consists to verify if Er:YAG laser, at low fluences, is able to debond porcelain veneers, successfully used to improve anterior tooth esthetics, without damaging the tooth structures. A total of twelve freshly extracted teeth were used and samples were decontaminated, stored, prepared to obtain Veneers adhesion. One week after, Er:YAG laser with a non-contact sapphire tip with air-water spray was used for veneer debonding at 100 mJ of power and 30Hz of frequency (Fluence 5.91 J/cm2). Results demonstrated that veneer debonding is possible with an Er:YAG laser and that the total number of pulses does not seem related to its efficiency. SEM observation confirms that residual tooth structure is not altered when using these low fluences. Low fluences with Er:YAG laser are able to debond veneers while preserving the tooth structures. SEM observation confirmed that residual tooth structure is not altered with low fluences.

In this work, we designed a MEMS device which allows simultaneous direct measurement of mechanical properties during deformation under external stress and characterization of the evolution of microstructure of nanomaterials within a transmission electron microscope. This MEMS device makes it easy to establish the correlation between microstructure and mechanical properties of nanomaterials. The device uses piezoresistive sensors to qualitatively measure the force and displacement of nanomaterials, e.g., in wire and thin plate forms. The device has a theoretical displacement resolution of 0.19 nm and a force resolution of 2.1 μN. The device has a theoretical displacement range limit of 2.74 μm and a load range limit of 27.75 mN.

Labelling techniques such as electron paramagnetic resonance spectroscopy and single-molecule fluorescence resonance energy transfer, allow access to distances in the range of tens of angstroms, corresponding to the size of proteins and small to medium-sized protein complexes. Such measurements do not require long-range ordering and are therefore applicable to systems with partial disorder. Data from spin-label-based measurements can be processed into distance distributions that provide information about the extent of such disorder. Using such information in modelling presents several challenges, including a small number of restraints, the influence of the label itself on the measured distance and distribution width, and balancing the fitting quality of the long-range restraints with the fitting quality of other restraint subsets. Starting with general considerations about integrative and hybrid structural modelling, this review provides an overview of recent approaches to these problems and identifies where further progress is needed.

Magnetic nanoparticles coated with gold nanoparticles are hybrid nanostructures combining the magnetic properties of iron oxide with the optical and chemical versatility of gold. The iron oxide core gives the nanoparticles magnetic functionality, which is useful in magnetic resonance imaging (MRI), targeted drug delivery, and hyperthermia treatment. The gold coating enhances biocompatibility, provides resistance to oxidation, and allows for surface functionalisation with biomolecules for targeted applications. This combination makes these nanoparticles ideal for a range of biomedical applications, including diagnostics, therapeutics, and imaging, due to their magnetic, optical, and chemical properties. Transmission electron microscopy, dynamic light scattering, zeta potential and magnetisation of nanoparticles are key techniques that provide a comprehensive understanding of the nanoparticles’ size, structure, optical properties and magnetic behaviour, which are important factors for determining their potential use in various applications.

Mouthparts are the main feeding organs of insects, which play vital roles in the feeding process. The morphology of insect mouthparts has greatly evolved according to different foods and feeding habits. Therefore, studying the structure of the mouthparts is the key to understanding their feeding mechanisms. Vibidia duodecimguttata is an important biological control agent for powdery fungus. In this study, the fine morphology of the mouthpart of V. duodecimguttata was studied by scanning electron microscopy. The basic components of mouthpart of V. duodecimguttata are similar to those of other ladybeetles, while the specific morphology of each part is different. In total, six kinds of sensilla were identified on mouthpart, and twelve types of sensilla were divided according to their morphology, length and distribution. In addition, two kinds of glandular structures were also found, perforated plates and cuticular pores. Finally, the morphological differences between mycetophagous and other feeding habits ladybeetles were compared, and the function of each kind of sensilla were discussed, which may lay a solid foundation for further understanding of the feeding mechanism of ladybirds.

A thorough understanding of nuclear reaction rates at low energies is essential for improving our understanding of energy generation in stars and primordial and stellar nucleosynthesis. At low energies, fusion reactions between charged particles are strongly suppressed by the presence of the Coulomb barrier which classically inhibits the penetration of one nucleus into another. The barrier penetration causes the cross section to have a steep energy dependence at low energies, making cross section measurements very challenging. Furthermore, little is known about the impact of surrounding electrons in stellar plasmas that are currently beyond the reach of experiments. As a result, measuring the bare cross sections as accurately as possible is essential. Reaction rate measurements at very low energies have been made possible in recent years by the development of high-current low-energy accelerators as well as enhanced target and detection methods. Nevertheless, the presence of atomic electrons, which alter the Coulomb barrier by screening the nuclear charge and increase the cross section at low energies compared to the case of bare nuclei, complicates these observations. A review of the experimental and corresponding theoretical work on laboratory electron screening performed so far will be presented.

The disease of transthyretin (TTR) amyloidosis (ATTR) has been known since the 1960s, and during these past 60 or so years, there has been a sustained peri-od of steady discoveries that have led to the current model of ATTR pathogene-sis. More recent research has achieved major advances in both diagnostics and therapeutics for ATTR, which are having a significant impact on ATTR patients today. Aiding these recent achievements has been the remarkable ability of cryo-electron microscopy (EM) to determine high-resolution structures of amy-loid fibrils obtained from individual patients. Here, we will examine cryo-EM structures of transthyretin amyloid fibrils to explore the structural basis of re-cent monoclonal antibody therapies for ATTR, including ALXN-2220 and Co-ramitug; as well as to point out potential applications of this approach to other systemic amyloid diseases.

The Antarctic photopsychrophile, Chlamydomonas priscuii UWO241 is adapted to extreme environmental conditions, including permanent low temperatures, high salt and shade. During long-term exposure to this extreme habitat, UWO241 appears to have lost several short-term mechanisms in favor of constitutive protection against environmental stress. This study investigated physiological and growth responses of UWO241 to high light conditions, evaluating the impacts of long-term acclimation to high light, low temperature, and high salinity on its ability to manage short-term photoinhibition. We found that UWO241 significantly increased its growth rate and photosynthetic activity at growth irradiances far exceeding native light conditions. Furthermore, UWO241 exhibited robust protection against short-term photoinhibition, particularly in photosystem I. Last, pre-acclimation to high light or low temperatures, but not high salinity, enhanced photoinhibition tolerance. These findings extend our understanding for stress tolerance in extremophilic algae. In the past 2 decades climate change-related increasing glacial stream flow has perturbed long-term stable conditions: in the form of has been associated with lake level rise, thinning of ice covers, and expansion of ice-free perimeters. Our findings have implications on phytoplankton survival and response to change scenarios in the light-limited environment of Antarctic ice-covered lakes.

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.

The external and internal structures of male and female adults of Culicoides grisescens Edwards, were examined with scanning electron microscope (SEM) and tissue section techniques. Specimens were collected from Qilian Mountain National Park in Qinghai Province, China. The ultrastructure and morphology of compound eyes, antenna, maxillary palpus, spermathecae, genitalia and other structural characteristics of both male and female adults of C. grisescens are described. Internal structures of the species are described, including histological sections of the digestive, nervous, respiratory, and reproductive systems. This paper provides visual and descriptive details for the systematic taxonomic study of Ceratopogonidae.

Epitaxial lithium ferrite (LiFe5O8) films with different thicknesses have been successfully fabricated on SrTiO3 (001) substrates by magnetron sputtering deposition technique. The microstructural and magnetic properties are characterized by advanced transmission electron microscope and magnetic measurement device. It was found that the formation of structural defects can be influenced by the thickness of the film. Apart from the misfit dislocations, the orientation domains form in thinner film and twin boundaries appear in thicker film, respectively, contributing to the misfit strain relaxation in the heterosystem. The magnetic measurement shows that the thinner films have enhanced magnetization and a relatively lower coercive field compared with the thicker films containing the antiferromagnetic twin boundaries. Our results provide a way for tuning the microstructure and magnetic properties of lithium ferrite films by changing the film thickness.

Samples of ZrO2 ceramics with different concentrations of impurity titanium ions were synthesized by mixing powders of zirconium and titanium oxides in various mass ratios. The phase composition and surface morphology of the studied ceramics were determined by X-ray phase analysis and scanning electron microscopy. It was found that irradiation of samples with xenon ions (220 MeV) with fluences 1010 and 1012 ion/cm2 leads to a decrease in the intensity of the pulse cathodoluminescence band at 2.5 eV. It is shown that ion irradiation causes the appearance of a new peak of thermoluminescence at 450-650 K of a non-elementary form associated with radiation-induced traps of charge carriers. In contrast to electron irradiation, an increase in the fluence of ions leads to a decrease in the intensity of this peak. In contrast to electron irradiation, an increase in the fluence of ions leads to a decrease in the intensity of this peak. A complex nonmonotonic dependence of the cathode and thermoluminescence intensity on the dopant concentration was found, which may be due to the effects of concentration quenching and aggregation of defective centers.

The structures of Ag complexes with dimethyl amino phenyl substituted phtalocyanine m[dmaphPcAg]q of various charges q and in two lowest spin states m were optimized using the B3LYP method within the D4h symmetry group and its subgroups. The most stable reaction intermediate in the supposed photoinitiation reaction is 3[dmaphPcAg]-. Group-theoretical analysis of the optimized structures and of their electron states reveals two symmetry-descent mechanisms. Stable structures of maximal symmetry of complexes 1[dmaphPcAg]+, 3[dmaphPcAg]+, 2[dmaphPcAg]0 and 4[dmaphPcAg]2- correspond to the D4 group as a consequence of the pseudo-Jahn-Teller effect within unstable D4h structure. Complexes 4[dmaphPcAg]0, 1[dmaphPcAg]-, 3[dmaphPcAg]- and 2[dmaphPcAg]2- with double degenerate electron ground states in D4h symmetry structures undergo a symmetry descent to stable structures corresponding to maximal D2 symmetry not because of a simple Jahn-Teller effect but due to hidden pseudo-Jahn-Teller effect (strong vibronic interaction between excited electron states). The reduction of the neutral photoinitiator causes symmetry descent to its anionic intermediate because of vibronic interactions that must significantly affect the polymerization reactions.

Transmission electron microscopy methods were used to analyze the cementite substructure in the head of special-purpose long rails of DT400IK category made of hypereutectoid steel after long-term operation on an experimental track on the Russian Railways ring (the passed tonnage is 187 million tonnes). It is noted that the study of various aspects of cementite – its structure, morphology, chemical composition, crystal lattice defects is relevant. The steel structure is represented by three morphological components at a distance of 10 mm from the sample surface: lamellar perlite, fractured and fragmented perlite. The volume fraction of lamellar perlite in the material is 65%. It is shown that after operation, the cementite plates are bent and separated by ferrite bridges. In the plates of ferrite and cementite, a dislocation substructure is formed which is of chaotically distributed and network type in ferrite and of ordered type in cementite. An increased density of dislocations at ferrite-cementite interfaces compared to the volume of ferrite plates was noted. Two possible mechanisms of deformation transformation of lamellar perlite grains are indicated: fracture of cementite plates and carbon pulling out from the lattice of the carbide phase. It is indicated that in the dissolution of cementite plates, the interfacial boundaries “α-phase-cementite” play an important role. The removal of carbon from cementite plates occurs most intensively near defects in ferrite and cementite. The formed nanosized particles of tertiary cementite are unevenly distributed in the ferrite plates, most of them are observed at the locations of ferrite subgrains and interfacial boundaries. This results in non-uniform diffraction contrast in dark-field images of cementite plates. Nanosized particles of cementite can be taken out into the interlamellar space of pearlite colonies in the process of dislocation slip, or they are formed as a result of deformation decomposition, which is less likely. Fragmentation of ferrite and cementite plates is revealed and azimuthal components of total misorientation angles are estimated. The mechanisms of mass transfer of carbon atoms over interstitial sites, deformation vacancies, dislocation tubes, grain boundaries and fragments are considered. According to all the established patterns of the cementite substructure transformation, a comparison with the results for rails made of hypoeutectoid steel was performed.

Spectroscopic methods are used to study the processes of accumulation of electron and hole trapping centers and energy transfer of electronic excitations to impurities in CaSO4-Mn and BaSO4-Mn. It is shown that the transfer of energy from the host to impurities occurs at the moment of charge transfer from the excited anionic complex SO_4^(2-) to the hybrid radiative electronic states at 2.95–3.1 eV formed from the electronic states of the Mn^(+)-SO_4^(-) and SO_4^(3-)-SO_4^(-) trapping centers. It was found that, in sulfates, under irradiation, as a result of charge transfer from excited anionic complexes of the host to the excited states of impurities Tl^(+),Cu^(+),Mn^(2+), hybrid radiative states emerge at 2.95–3.15 eV, occupying the same energy levels as the intrinsic electronic trapping center SO_4^(3-) of the host at 2.95–3.1 eV.

In this paper, we have constructed a WKB approximation for graphene having a Y-shaped Kekul\'e lattice distortion and a special folding of the $\mbox{\boldmath$K$}$ and $\mbox{\boldmath$K$}^\prime$ valleys, which leads to very specific linear energy dispersions with two non-equivalent pairs of subbands. These obtained semi-classical results, which include the action, electron momentum and wave functions, are utilized to analyze the dynamics of electron tunneling through non-square potential barriers. In particular, we explore resonant scattering of an electron by a potential barrier built on Kekul\'e-distorted graphene. Mathematically, a group of consecutive equations for a semi-classical action have been solved by following a perturbation approach under the condition of small strain-induced coupling parameter $\Delta_0 \ll 1$ (a good fit to its actual value $\Delta_0 \backsim 0.1$). Specifically, we consider a generalized model for Kek-Y graphene with two arbitrary Fermi velocities. The dependence of the electron transmission amplitude on the potential profile $V(x)$ and band parameters of Kekul\'e-patterned graphene has been explored and analyzed in details.

Based on the marine natural products piperafizine B, X334 and our previously reported compound 4m, fourteen novel 3,6-diunsaturated 2,5-diketopiperazine (2,5-DPK) derivatives (1-2, 4-6, 8-16), together with two known ones (3 and 7), were designed and synthesized as anticancer agents against cell lines A549 and Hela. The MTT assay results showed that the derivatives 6, 8-12 and 15 had moderate to good anticancer capacities with the IC50 values ranging from 0.7 to 8.9 μM. Among them, compound 11 with naphthalen-1-ylmethylene and 2-methoxybenzylidene functions at the 3- and 6-positions of 2,5-DPK ring, respectively, displayed good inhibitory activities to both cancer cells A549 (IC50 = 1.2 μM) and Hela (IC50 = 0.7 μM). It could also induce apoptosis and obviously block the cell cycle progression at G2/M phase in both cells at 1.0 μM. The electron withdrawing functions might not be favorable for the derivatives with high anticancer activities. Additionally, compared to piperafizine B and X334, these semi-N-alkylated derivatives have high liposolubilities (> 1.0 mg•mL-1). Compound 11 can be further developed aiming to the discovery of novel anticancer candidate.

As a consequence of a three-stage synthesis from terephthalic aldehyde, a series of 3,3 '- (1,4-phenylene) perchlorates including methyl, hydrogen, acetyl, bromio, methoxy and nitro groups (R = Br, H, Me). The matching formazans were reacted with formalin in dioxane in the presence of perchloric acid to produce tetrazin ium salts. Formazans were synthesized by reacting terephthalic aldehyde phenylhydrazone with ar ene diazonium tosylates in a DMF/pyridine combination. The use of ar ene diazonium tosylates greatly simplified the separation and purification of formazans. The p henylhydrazone was produced in aqueous dioxane using the usual approach from terephthalic aldehyde and phenylhydrazine/hydrochloric acid. Individual f ormazans and tetrazinium perchlorates were isolated and characterized by elemental analysis, IR, NMR, UV spectroscopy. The electrochemical reduction of tetrazinium perchlorates was investigated using cyclic voltammetry (CV). Thus, all salts in the cathode region have two one-electron reduction peaks, which are connected to the sequential production of a radical cation and a biradical. It was discovered that donor substituents (R: OMe, Me) in the aromatic ring at position 1 accelerate tetrazinium cation reduction, whereas acceptor substituents (R: NO₂, COMe,) inhibit this process. On this premise, it was proposed that in the presence of donor substituents in the aromatic ring at position 1, the matching bis-verdazyl radicals should be easily generated. As a result, 3,3'- (1,4-phenylene) perchlorates are possible antecedents of symmetric biradical systems based on verdazyl radicals.

The response of carbon fixation in C3 plants to elevated CO2 is relatively larger when photosynthesis is limited by carboxylation capacity (VC) than when limited by electron transport (J). Recent experiments under controlled, steady-state conditions have shown that photosynthesis at elevated CO2 may be limited by VC even at limiting PPFD. These experiments were designed to test whether this also occurs in dynamic field environments. Leaf gas exchange was recorded every 5 minutes using two identical instruments both attached to the same leaf. The CO2 concentration in one instrument was controlled at 400 mol mol-1 and one at 600 mol mol-1. Leaves were exposed to ambient sunlight outdoors, and cuvette air temperatures tracked ambient outside air temperature. The water content of air in the leaf cuvettes was kept close to that of the ambient air. These measurements were conducted on multiple, mostly clear days for each of three species, Glycine max, Lablab purpureus, and Hemerocallis fulva. The results indicated that in all species, photosynthesis was limited by VC rather than J at both ambient and elevated CO2 both at high midday PPFDs and also at limiting PPFDs in the early morning and late afternoon. During brief reductions in PPFD due to midday clouds, photosynthesis became limited by J, The net result of the apparent deactivation of Rubisco at low PPFD was that the relative stimulation of diurnal carbon fixation at elevated CO2 was larger than would be predicted when assuming limitation of photosynthesis by J at low PPFD.

A micro Sagnac interferometer integration is proposed for electron cloud distributed sensors. The Sagnac interferometer consists of four microring probes integrated into a Sagnac loop. Each of the microring probes is embedded with the silver bars to form the plasmonic wave oscillation. At the center microrings, electrons are trapped and oscillated by the whispering gallery modes (WGMs), where the plasmonic antennas are established and applied for wireless fidelity (WiFi) and light fidelity (LiFi) transmissions for distributed sensors. The antenna gains are 2.59dB, 0.93dB, 1.75dB, and 1.16dB respectively for the four antennas formed at the center microrings. The polarized light of 1.50µm wavelength is fed into the interferometer input, which is polarized randomly into upstream and downstream directions. The polarization components can be obtained by the space-time modulation control. By controlling the electron cloud spin orientation, the space-time projection can be applied, and the ultra-high measurement resolution can be obtained in terms of fast switching time (change in phase). In manipulation, the applied stimuli are substituted by the change in input source power. The light input power variation causes a change in electron cloud density. Similarly, when the electron cloud is excited by the microscopic medium, which can be employed as the microscopic sensors. The WGM sensors have sensitivities of 1.35µm-2, 0.90µm-2, 0.97µm-2 and, 0.81µm-2, respectively. The WGMs behave as a four-point probe for the electron cloud distributed sensors, where the electron cloud sensitivities of 2.31 prads-1mm3 (electrons)-1, 2.27prads-1mm3 (electrons)-1, 2.22 prads-1mm3(electrons)-1, 2.38prads-1mm3(electrons)-1 are respectively obtained.

This paper presents an advanced microstructural analysis of the AlSiMg, Ti64 and N700 powders used for additive manufacturing. The internal microstructure of the regular and irregular powder grains were characterized down to atomic resolution by using scanning electron microscopy and high resolution scanning transmission electron microscopy.The accretionary forms on top of the irregular AlSiMg powder grains exhibit a slightly coarse microstructure with a network of eutectic Si consisting of nano-crystallites, suggestinga slower cooling than the grain itself that contain a predominately amorphous Si network. A nm thin amorphous C layer on the surface of some Ti64 plasma atomized powder grains promoted the attachment of satellites and growth of envelopes. In case of gas atomized N700 powder grains, we identified thin oxide and carbon amorphous layers as well as metal segregations at the interface between the grain body and the accretionary forms.

In quantum field theory (QFT), it is well known that when Feynman diagrams containing loops are evaluated to account for self interactions, probability amplitude comes out to be infinite which is physically not admissible. So, to make the QFT convergent, various renormalization methods are conventionally followed in which an additional (infinite) counter term is postulated which neutralizes the original infinity generated by diagram. The resulting finite values of amplitudes have agreed with experiments with surprising accuracy. However, proponents of renormalization methods acknowledged that this ad-hoc procedure of subtraction of infinity from infinity to reach at a finite value is not at all satisfactory and there is no physical basis for bringing in the counter term. So, it is desirable to establish a method in QFT which does not generate any infinite term (thus not requiring renormalization), but which predicts same results as conventional methods do. In this paper, we describe such a technique taking self interaction quantum electrodynamics diagram representing electron or photon self energy. In our method, no problem of infinity arises and hence renormalization is not necessary. Still, the dependence of calculated probability amplitude on physical variables in our technique comes out to be same as conventional methods. Using similar procedure, we hope, the problem of non-renormalizability of quantum gravity may be solved in future.

The cytostatic agent hydroxyurea (HU) has proven to be beneficial for a variety of conditions in the disciplines of oncology, hematology, infectious disease and dermatology. It disrupts the S-phase of the cell cycle by inhibiting the ribonucleotide reductase enzyme, thus blocking the transformation of ribonucleotides into deoxyribonucleotides, a rate limiting step in DNA synthesis. HU is listed as an essential medicine by the World Health Organization. Several studies have indicated that HU is well tolerated and safe in pregnant women and very young pediatric patients. To our knowledge, only a few controlled studies about the adverse effects of HU therapy have been done in humans. Despite this, the prevalence of central nervous system abnormalities, including ischemic lesions and stenosis have been reported. This review will summarize and present the effects of HU-exposure on the prenatal and perinatal development of the rat cerebellar cortex and deep cerebellar nuclei neurons. Our results call for the necessity to better understand HU effects and define the administration of this drug to gestating women and young pediatric patients.

Atoms in Molecules (AIM), Natural Bond Orbital (NBO), and normal coordinate analysis have been carried out at the global minimum structures of TH₅⁺ (T = C/Si/Ge). All these analyses lead to a consistent structure for these three protonated TH₄ molecules. The CH₅⁺ has a structure with three short and two long C-H covalent bonds and no H-H bond. Hence, the popular characterization of protonated methane as a weakly bound CH₃⁺ and H₂ is inconsistent with these results. However, SiH₅⁺ and GeH₅⁺ are both indeed a complex formed between TH₃⁺ and H₂ stabilized by a tetrel bond, with the H₂ being the tetrel bond acceptor. The three-center-two-electron bond (3c-2e) in CH₅⁺ has an open structure, which can be characterized as a V-type 3c-2e bond and that found in SiH₅⁺ and GeH₅⁺ is a T-type 3c-2e bond. This difference could be understood based on the typical C-H, Si-H, Ge-H and H-H bond energies. Moreover, this structural difference observed in TH₅⁺ can explain the trend in proton affinity of TH₄. Carbon is selective in forming a ‘tetrel bond’ and when it does, it might be worthwhile to highlight it as a ‘carbon bond’.

The diameter of a H13 steel tool with M6 threads and a pin diameter of 5.9 mm and a pin length of 5 mm was measured after each 25.4 mm length of friction stir processing (FSP) of 6061-T6 extrusions. The change in pin diameter with FSP time or distance did not exhibit any steady state and was found to have two distinct regions. Metallographic analysis of two tools subjected to FSP for 60 and 120 seconds showed that (i) threads fractured in early stages of FSP, (ii) a built-up layer formed between the threads, and (iii) threads progressively wore with processing time. The metallographic analysis of an embedded tool showed the presence of a fractured piece of the tool in the stir zone. These points are discussed in detail in the paper.

Although good field emission from graphene has been demonstrated from a wide variety of different microfabricated structures, very few of them can be used to improve the design of cold field emitters for electron microscopy applications. Most of them consist of densely packed nano-emitters, which produce a large array of defocused overlapping electron beams, and therefore cannot be subsequently focused down to a single nanometer electron probe. This paper reviews the kind of single-tip cathode structures suitable in cold field emission guns for instruments such as scanning electron microscopy, transmission electron microscope or scanning transmission electron microscopy, and reviews progress in fabricating them from graphene-based materials.

Carbon nanotubes are hybridized with metal crystals to impart multifunctionality into the nanohybrids (NHs). Simple but effective synthesis techniques are desired to form both zero-valent and oxides of different metal species on carbon nanotube surfaces. Sol-gel technique brings in significant advantages and is a viable technique for such synthesis. This study probes the efficacy of sol-gel process and aims to identify underlying mechanisms of crystal formation. Standard electron potential (SEP) is used as a guiding parameter to choose the metal species; i.e., highly negative SEP (e.g., Zn) with oxide crystal tendency, highly positive SEP (e.g., Ag) with zero-valent crystal-tendency, and intermediate range SEP (e.g., Cu) to probe the oxidation tendency in crystal formation are chosen. Transmission electron microscopy and X-ray diffraction are used to evaluate the synthesized NHs. Results indicate that SEP can be a reliable guide for the resulting crystalline phase of a certain metal species, particularly when the magnitude of this parameter is relatively high. However, for intermediate range SEP-metals, mix phase crystals can be expected. For example, Cu will form Cu₂O and zero-valent Cu crystals, unless the synthesis is performed in a reducing environment.

This paper studies ionospheric vertical total electron content (VTEC) variations before the 2014 Mw8.2 Chile earthquake. VTEC derived from 14 GPS (Global Positioning System) stations and GIM (Global Ionospheric Map) were used to analyze ionospheric variations before the earthquake using the sliding interquartile range method, and results showed that significant positive VTEC anomalies occurred on 28 March. To explore possible causes of these anomalies, effects of solar and geomagnetic activities were examined, and VTEC variations during 17 March to 31 March in 2009-2013 were cross-compared. Also, VTEC for a full year before the earthquake was investigated. Results indicated that these anomalies were weakly associated with high solar activities and geomagnetic storms and that these anomalies were not normal seasonal and diurnal variations. An analysis of the spatial distribution of the observed anomalies was also presented, and it demonstrated that anomalies specifically appeared around the epicenter on 28 March. It suggests that observed anomalies may be associated with the subsequent Chile earthquake. Equatorial anomaly variations were analyzed to discuss the possible physical mechanism, and results showed that the equatorial anomaly unusually increased on 28 March, which indicates that anomalous electric fields generated in the earthquake preparation area and the meridional wind are possible causes of the observed ionospheric anomalies.

We report a preliminary exploration on the low-pressure Ar-O2 plasma generated by low-frequency alternating current (AC) power supply in the low-temperature Plasma Experimental Power Supply (CTP-2000S) for the first time. The electron density 〖(n〗_e), the electron temperature 〖(T〗_e) and the electron energy distribution function (EEDF) are measured by the single Langmuir probe in this experiment. Experimental results show that the ne increases with gas pressure rising, while the ne decreases with the oxygen concentrations rising. And, a plasma density peak is also observed with the AC power supply increase. A comparison between this work and the previous results by RF source suggests that the low-frequency AC power supply may be very fruitful exploration to generate the low-pressure plasma.

The minimum energy structures of the Si3C5 and Si4C8 clusters are planar and contain planar tetracoordinate carbons (ptCs). These species have been classified, qualitatively, as global () and local () aromatics according to the adaptive natural density partitioning (AdNDP) method, which is an orbital localization method. This work evaluates these species' aromaticity, focusing on confirming and quantifying their global and local aromatic character. For this purpose, we use an orbital localization method based on the partitioning of the molecular space according to the topology of the electronic localization function (LOC-ELF). In addition, the magnetically induced current density is analyzed. The LOC-ELF-based analysis coincides with the AdNDP study (double aromaticity, global and local). Besides, the current density analysis detects global and local ring currents. The strength of the global and local current circuit is significant, involving 4n+2 - and -electrons, respectively. The latter implicates the Si-ptC-Si fragment, which would be related to the 3c-2e -bond detected by the orbital localization methods in this fragment.

Elastic peak electron spectroscopy, abbreviated EPES, involves ana- lyzing the line shape found in the elastic peak. The reduction in the energy of electrons of the elastic peak is a result of energy transfer to the target atoms, a phenomenon known as recoil energy. EPES differs from other electron spectroscopies in its unique ability to identify hydrogen in polymers and hydrogenated carbon-based materials. This feature is particularly noteworthy because lighter elements exhibit stronger energy shifts. The energy difference between the positions of the elastic peak of carbon and the elastic peak of hydrogen tends to increase as the kinetic energy of the incident electrons increases. If, during electron irradiation of an insulating polymer, the number of secondary electrons emitted by the surface is less than the number of electrons absorbed in the sample, the surface floats energetically until it stabilizes at a potential energy eVs. As a result, the interaction energy changes and modifies the energy difference between the elastic peaks of hydrogen and carbon. In this study, the charge effects are evaluated using the Monte Carlo method to simulate the EPES spectra of electrons interacting with polystyrene and polyethylene.

We consider creation of entanglement between the remote electron spins using a magnetic nanoparticle attached to a cantilever tip (CT). We assume that the frequency of the CT vibrations matches the Larmor frequency of the spin (the CT-spin resonance). In the conditions of the CT-spin resonance the CT-spin system is described by the exactly solvable Jaynes-Kummings model. In this work using the evolution operator of the Jaynes-Kummings model we show that a movable CT can create an entangled state between the remote spins. The most striking result is that the entanglement between the remote spins can be achieved without measurement of the vibrational state of the CT.

The undoped and tungsten (W)-doped vanadium dioxide (VO₂) thin films were prepared by electron beam evaporation associated with ion-beam assisted deposition (IAD). The influence of different W-doped contents (3%-5%) on the optical, electrical, structural, and thermos-mechanical properties of VO₂ thin films was investigated experimentally. Spectral transmittance results showed that with the increase of W-doped contents, the transmittance in the visible light range (400-750 nm) decreases from 60.2% to 53.9%, and the transmittance in the infrared wavelength range (2.5 μm to 5.5 μm) drops from 55.8% to 15.4%. As the W-doped content increases, the residual stress in the VO₂ thin film decreases from -0.276 GPa to -0.238 GPa, but the surface roughness increases. For temperature-dependent spectroscopic measurements, heating the VO2 thin films from 30°C to 100°C showed the most significant change in transmittance for the 5% W-doped VO₂ thin film. When the heating temperature exceeds 55°C, the optical transmittance drops significantly, and the visible light transmittance drops by about 11%. Finally, X-ray Diffraction (XRD) and scanning electron microscope (SEM) were used to evaluate the microstructure characteristics of VO₂ thin films.

The molecular entity that catalyzes ferredoxin (Fd)-dependent cyclic electron flow around photosystem I (PSI) (Fd-CEF) remains unknown. To elucidate the in vivo molecular mechanism of Fd-CEF, the evaluation of Fd reduction‒oxidation kinetics is a good indicator of Fd-CEF activity. Recent research showed that the expression of Fd-CEF activity requires the oxidation of plastoquinone, and furthermore, chloroplast NAD(P)H dehydrogenase does not catalyze Fd-CEF in Arabidopsis thaliana. In the present research, the effect of reduced Fd on Fd-CEF activity was analyzed by comparing wild-type and pgr5-deficient mutants (pgr5hope1). PGR5 has been proposed to be the mediator of Fd-CEF, and pgr5hope1 showed the same CO2 assimilation rate and the same reduction‒oxidation level of PQ as WT, but P700 oxidation with Fd was highly reduced, unlike WT. As expected, the activity of Fd-CEF was enhanced in pgr5hope1 compared to the wild type, and its activity was also enhanced with the oxidation of PQ by the increase in the CO2 assimilation rate. The present in vivo research clearly shows that the expression of Fd-CEF activity requires reduced Fd in addition to oxidized PQ, and PGR5 does not catalyze Fd-CEF.

Auger-emitting radionuclides exemplified by Pd-103, exhibit considerable therapeutic potential in cancer treatment due to their heightened cytotoxicity and localized biological impact. Despite these advantages, the separation of such radionuclides presents a complicated challenge, requiring intricate and time-intensive "wet chemistry" methods attributed to the exceptional chemical inertness of the associated metals. This study proposes an innovative solution to this separation challenge through the design and implementation of a radionuclide separation equipment (RSE). The equipment employs a dry distillation approach, capitalizing on differences in partial vapor pressures between irradiated and resulting radioactive metals, with a diffusion-driven extraction method applied to separate Pd-103 radionuclides generated via proton irradiation of Rh-103 at the ATOMKI MGC-20 cyclotron. Optimization endeavors focused on determining the optimal temperature for effective metal separation, adjusting diffusion, evaporation, and deposition rates, as well as addressing chemical impurities. Calculations indicate 17 % ± 2 % separation efficiency with our RSE. Approximately 77% ± 2% and 49% ± 2% of the deposited Pd-103 were isolated on substrates of Nb foil and ZnO-covered W disk, respectively. The proposed innovative dry distillation method that has been experimentally tested, offers a promising alternative to conventional separation techniques, enabling enhanced purity and cost-efficient cancer treatment strategies.

Copper-nitride (Cu3N) semiconductor material is attracting much attention as a potential, next-generation thin-film solar-light absorber in solar cells. In this communication, polycrystalline Cu3N thin films were prepared using reactive-RF-magnetron-sputtering deposition, at room temperature, onto glass and silicon substrates. The very-broadband optical properties of the Cu3N thin film layers were studied by UV-MIR (0.2-40 μm) ellipsometry and optical transmission, to be able to achieve the goal of a low-cost absorber material to replace the conventional silicon. The reactive-RF-sputtered Cu3N films were also investigated by focused ion beam scanning electron microscopy, and both FTIR and Raman spectroscopies.

It is known that exposure to heavy metals such as lead (Pb) and cadmium (Cd) has several adverse effects, particularly on the human reproductive system. Pb and Cd have been associated with infertility in both men and women. In pregnant women, they have been associated with spontaneous abortion, preterm birth, and impairment of the development of the fetus. Since these heavy metals come from both natural and anthropogenic activities and their harmful effects have been observed even at levels of exposure, their exposure remains a public health issue, especially for the reproductive system. Given this, the present study aimed to investigate the potential reproductive effects of Pb and Cd levels in the follicular fluid (FF) of infertile women and no-smokers exposed to heavy metals for professional reasons or living in rural areas near landfills and waste disposal areas, to correlate the intrafollicular presence of these metals with possible alterations in the ultrastructure of human cumulus-oocyte complexes (COCs), probably responsible of infertility. Blood and FF metals were measured using atomic absorption spectrometry. COCs corresponding to each FF analyzed were subjected to ultrastructural analyses by transmission electron microscopy. We demonstrated for the first time that intrafollicular levels of Pb (0.66 µg/dL to 0.85 µg/dL) and Cd (0.26 µg/L - 0.41 µg/L) could be associated with morphological alterations of both the oocyte and CCs ultrastructure. Since blood Cd levels (0.54 µg/L - 1.87 µg/L) were above the current reference values established by the guidelines of the Agency for Toxic Substances and Disease Registry (ATSDR) and the Environmental Protection Agency (EPA), whereas blood Pb levels (1.28 µg/dL - 3.98 µg/dL) were below the ATSDR reference values we believe that these alterations could be due especially to Cd, even if we cannot exclude a possible additional effect of Pb. Our results highlighted that oocytes were affected in maturation and quality, whereas CCs showed scarcely active steroidogenic elements. Regressing CCs, with cytoplasmic alterations, were also numerous. According to Cd's endocrine-disrupting activity, the poor steroidogenic activity of CCs might correlate with delayed oocyte cytoplasmic maturation. So, we conclude that levels of heavy metals in the blood and the FF might negatively affect fertilization, embryo development, and pregnancy, compromising oocyte competence to fertilization both directly and indirectly, impairing CC steroidogenic activity, and inducing CC apoptosis.

Single-particle cryo-electron microscopy (cryo-EM SPA) has recently emerged as an exceptionally well-suited technique for determining the structure of membrane proteins (MPs). Indeed, in the last years, it was observed a huge increase in the number of MPs solved by cryo-EM SPA at a resolution better than 3.0 Å in the Protein Data Bank (PDB). However, sample preparation remains a significant challenge in the field. Here, we evaluated in the MPs solved by cryo-EM SPA deposited in the PDB in the last two years at a resolution below 3.0 Å the most critical parameters for sample preparation: i) the surfactant used for protein extraction from the membrane, ii) the surfactant, amphiphiles, nanodiscs or other molecules present in the vitrification step, iii) the vitrification method employed, and iv) the type of grids used. The aim is not to provide a definitive answer on the optimal sample conditions for cryo-EM SPA of MPs, but rather assess the current trends in the MP structural biology community towards obtaining high-resolution cryo-EM structures.

Copper-nitride (Cu3N) material is attracting much attention as a potential next-generation thin-film solar-light absorber. In this work, polycrystalline Cu3N thin films were prepared using reactive-RF-magnetron sputtering, at room temperature,onto glass and silicon substrates. The optical properties of the Cu3N thin layers were studied by spectroscopic ellipsometry and transmission, to achieve a low-cost absorber material to replace conventional silicon. The reactive-RF-sputtered Cu3N films were also investigated by FIB-SEM microscopy and FTIR spectroscopy.