Editor’s Choice Articles

In this work we present a detailed study showing the importance of the Kubelka-Munk (KM) correction in the analysis of diffuse reflectivity measurements to characterize spin crossover compounds. Combined reflectance and magnetic susceptibility measurements are carried out as a function of temperature or time to highlight the conditions under which this correction becomes critical. In particular, we investigate the influence of the color contrast between the two spin states on the reflectance measurements. Interestingly, the samples’ contrast seems to play an important role on the spin-like domain structure as suggested by the symmetry of the FORC diagrams. These latest results are discussed within the framework of Classical Preisach model (CPM). Full article

Although hand grip strength is critical to the daily lives of humans and our arboreal great ape relatives, the human hand has changed in form and function throughout our evolution due to terrestrial bipedalism, tool use, and directional asymmetry (DA) such as handedness. Here we investigate how hand form and function interact in modern humans to gain an insight into our evolutionary past. We measured grip strength in a heterogeneous, cross-sectional sample of human participants (n = 662, 17 to 83 years old) to test the potential effects of age, sex, asymmetry (hand dominance and handedness), hand shape, occupation, and practice of sports and musical instruments that involve the hand(s). We found a significant effect of sex and hand dominance on grip strength, but not of handedness, while hand shape and age had a greater influence on female grip strength. Females were significantly weaker with age, but grip strength in females with large hands was less affected than those with long hands. Frequent engagement in hand sports significantly increased grip strength in the non-dominant hand in both sexes, while only males showed a significant effect of occupation, indicating different patterns of hand dominance asymmetries and hand function. These results improve our understanding of the link between form and function in both hands and offer an insight into the evolution of human laterality and dexterity. Full article

Two-dimensional (2D) crystalline structures based on a honeycomb geometry are analyzed by computer simulations using the Monte Carlo method in the isobaric-isothermal ensemble. The considered crystals are formed by hard discs (HD) of two different diameters which are very close to each other. In contrast to equidiameter HD, which crystallize into a homogeneous solid which is elastically isotropic due to its six-fold symmetry axis, the systems studied in this work contain artificial patterns and can be either isotropic or anisotropic. It turns out that the symmetry of the patterns obtained by the appropriate arrangement of two types of discs strongly influences their elastic properties. The Poisson’s ratio (PR) of each of the considered structures was studied in two aspects: (a) its dependence on the external isotropic pressure and (b) in the function of the direction angle, in which the deformation of the system takes place, since some of the structures are anisotropic. In order to accomplish the latter, the general analytic formula for the orientational dependence of PR in 2D systems was used. The PR analysis at extremely high pressures has shown that for the vast majority of the considered structures it is approximately direction independent (isotropic) and tends to the upper limit for isotropic 2D systems, which is equal to $+1$. This is in contrast to systems of equidiameter discs for which it tends to $0.13$, i.e., a value almost eight times smaller. Full article

Opuntia ficus-indica is a cactaceous plant native to America but, nowadays, widely found worldwide, having been the most common domesticated species of cactus grown as a crop plant in semiarid and arid parts of the globe, including several Mediterranean basin countries. Opuntia ficus-indica can be regarded as a medicinal plant, being source of numerous bioactive phytochemicals such as vitamins, polyphenols, and amino acids. The urgent need for therapeutic treatments for the COronaVIrus Disease 19 (COVID-19), caused by the Severe Acute Respiratory Syndrome (SARS)-Coronavirus (CoV)-2, justifies the great attention currently being paid not only to repurposed antiviral drugs, but also to natural products and herbal medications. In this context, the anti-COVID-19 utility of Opuntia ficus-indica as source of potential antiviral drugs was investigated in this work on the basis of the activity of some of its phytochemical constituents. The antiviral potential was evaluated in silico in docking experiments with M^pro, i.e., the main protease of SARS-CoV-2, that is one of the most investigated protein targets of therapeutic strategies for COVID-19. By using two web-based molecular docking programs (1-Click Mcule and COVID-19 Docking Server), we found, for several flavonols and flavonol glucosides isolated from Opuntia ficus-indica, good binding affinities for M^pro, and in particular, binding energies lower than −7.0 kcal/mol were predicted for astragalin, isorhamnetin, isorhamnetin 3-O-glucoside, 3-O-caffeoyl quinic acid, and quercetin 5,4′-dimethyl ether. Among these compounds, the chiral compound astragalin showed in our in silico studies the highest affinity for M^pro (−8.7 kcal/mol) and also a low toxicity profile, emerging, thus, as an interesting protease inhibitor candidate for anti-COVID-19 strategies. Full article

Autism spectrum disorder (ASD) is characterized by deficits in interactional synchrony and motor performance, but little is known about the association between them. The current study investigated the association among aberrant interactional synchrony (as measured by interactors’ symmetry in the form of the hand at each time-point along movement’s execution), motor functioning and the level of Autistic traits. In this study, autistic traits were evaluated by the Autistic Spectrum Quotient (AQ). Two tasks were used: (1) an interactional synchrony task where participants and the research assistant were instructed to move their hands together; and (2) a motor planning task which allows for continuous monitoring of natural hand movements. Pearson correlation analysis indicated a significant association between lower communication skills (i.e., higher AQ communication scores) and lower intentional synchrony rates. In addition, lower communication skills were found associated with typical patterns of motor planning and execution characterized by shorter time to start the movement and higher value of max speed. Mediator analyses supported the notion that aberrant intentional synchrony in individuals with low communication skills is partially mediated through typical patterns of motor planning and execution. These results suggest typical patterns of motor functions may account for intentional synchrony difficulties. Full article

We present cross-section expectations for various processes and collider options, for benchmark scenarios of the Inert Doublet Model, a Two Higgs Doublet Model with a dark matter candidate. The proposed scenarios are consistent with current dark matter constraints, including the most recent bounds from the XENON1T experiment and relic density, as well as with known collider and low-energy limits. These benchmarks, chosen in earlier work for studies at $e^{+}{e}^{-}$ colliders, exhibit a variety of kinematic features that should be explored at current and future runs of the LHC. We provide cross sections for all relevant production processes at 13 TeV, 27 TeV and 100 TeV proton collider, as well as for a possible 10 TeV and 30 TeV muon collider. Full article

In the formalism of generalized holographic dark energy (HDE), the holographic cut-off is generalized to depend upon $L_{\mathrm{IR}}=L_{\mathrm{IR}}\left(L_{\mathrm{p}},,,{\dot{L}}_{\mathrm{p}},,,{\ddot{L}}_{\mathrm{p}},,,\cdots ,,,L_{\mathrm{f}},,,{\dot{L}}_{\mathrm{f}},,,\cdots ,,,a\right)$ with $L_{\mathrm{p}}$ and $L_{\mathrm{f}}$ being the particle horizon and the future horizon, respectively (moreover, a is the scale factor of the Universe). Based on such formalism, in the present paper, we show that a wide class of dark energy (DE) models can be regarded as different candidates for the generalized HDE family, with respective cut-offs. This can be thought as a symmetry between the generalized HDE and different DE models. In this regard, we considered several entropic dark energy models—such as the Tsallis entropic DE, the Rényi entropic DE, and the Sharma–Mittal entropic DE—and found that they are indeed equivalent with the generalized HDE. Such equivalence between the entropic DE and the generalized HDE is extended to the scenario where the respective exponents of the entropy functions are allowed to vary with the expansion of the Universe. Besides the entropic DE models, the correspondence with the generalized HDE was also established for the quintessence and for the Ricci DE model. In all the above cases, the effective equation of state (EoS) parameter corresponding to the holographic energy density was determined, by which the equivalence of various DE models with the respective generalized HDE models was further confirmed. The equivalent holographic cut-offs were determined by two ways: (1) in terms of the particle horizon and its derivatives, (2) in terms of the future horizon horizon and its derivatives. Full article

This research is devoted to the calculation and theoretical analysis of physical processes in the powerful electric discharge sources of UV radiation and shock waves with required and controlled technical and physical characteristics. Based on the calculations, the processes of converting the initially stored electromagnetic energy into internal, kinetic, magnetic and radiation energy formed in the electro-discharge plasma sources of plasma formation were studied, and the interactions of discharged plasma and its radiation with matter in different aggregate states were also studied. All the main magneto-plasma dynamic and radiative parameters of plasma formation in the electric discharge sources of UV radiation and shock waves are obtained. Full article

This work deals with heat conduction problems formulation in the framework of a CAD-compatible topology optimization method based on a pseudo-density field as a topology descriptor. In particular, the proposed strategy relies, on the one hand, on the use of CAD-compatible Non-Uniform Rational Basis Spline (NURBS) hyper-surfaces to represent the pseudo-density field and, on the other hand, on the well-known Solid Isotropic Material with Penalization (SIMP) approach. The resulting method is then referred to as NURBS-based SIMP method. In this background, heat conduction problems have been reformulated by taking advantage of the properties of the NURBS entities. The influence of the integer parameters, involved in the definition of the NURBS hyper-surface, on the optimized topology is investigated. Furthermore, symmetry constraints, as well as a manufacturing requirement related to the minimum allowable size, are also integrated into the problem formulation without introducing explicit constraint functions, thanks to the NURBS blending functions properties. Finally, since the topological variable is represented by means of a NURBS entity, the geometrical representation of the boundary of the topology is available at each iteration of the optimization process and its reconstruction becomes a straightforward task. The effectiveness of the NURBS-based SIMP method is shown on 2D and 3D benchmark problems taken from the literature. Full article

The quantitative evaluation of the chirality of macromolecule structures remains one of the exciting issues in biophysics. In this paper, we propose methods for quantitative analysis of the chirality of protein helical and superhelical structures. The analysis of the chirality sign of the protein helical structures (α-helices and 3₁₀-helices) is based on determining the mixed product of every three consecutive vectors between neighboring reference points—α-carbons atoms. The method for evaluating the chirality sign of coiled-coil structures is based on determining the direction and value of the angle between the coiled-coil axis and the α-helices axes. The chirality sign of the coiled coil is calculated by averaging the value of the cosine of the corresponding angle for all helices forming the superhelix. Chirality maps of helical and superhelical protein structures are presented. Furthermore, we propose an analysis of the distributions of helical and superhelical structures in polypeptide chains of several protein classes. The features common to all studied classes and typical for each protein class are revealed. The data obtained, in all likelihood, can reflect considerations about molecular machines as chiral formations. Full article

The ideal Stirling cycle describes a specific way to operate an equilibrium Stirling engine. This cycle consists of two isothermal and two isochoric strokes. For non-equilibrium Stirling engines, which may feature various irreversibilities and whose dynamics is characterized by a set of coupled ordinary differential equations, a control strategy that is based on the ideal cycle will not necessarily yield the best performance—for example, it will not generally lead to maximum power. In this paper, we present a method to optimize the engine’s piston paths for different objectives; in particular, power and efficiency. Here, the focus is on an indirect iterative gradient algorithm that we use to solve the cyclic optimal control problem. The cyclic optimal control problem leads to a Hamiltonian system that features a symmetry between its state and costate subproblems. The symmetry manifests itself in the existence of mutually related attractive and repulsive limit cycles. Our algorithm exploits these limit cycles to solve the state and costate problems with periodic boundary conditions. A description of the algorithm is provided and it is explained how the control can be embedded in the system dynamics. Moreover, the optimization results obtained for an exemplary Stirling engine model are discussed. For this Stirling engine model, a comparison of the optimized piston paths against harmonic piston paths shows significant gains in both power and efficiency. At the maximum power point, the relative power gain due to the power-optimal control is ca. 28%, whereas the relative efficiency gain due to the efficiency-optimal control at the maximum efficiency point is ca. 10%. Full article

A 2D mechanical metamaterial exhibiting perfectly auxetic behavior, i.e., Poisson’s ratio of $-1$, is proposed in this paper drawing upon inspiration from an Islamic star formed by circumferential arrangement of eight squares, such as the one found at the exterior of the Ghiyathiyya Madrasa in Khargird, Iran (built 1438–1444 AD). Each unit of the metamaterial consists of eight pairs of pin-jointed Y-shaped rigid elements, whereby every pair of Y-elements is elastically restrained by a spiral spring. Upon intermediate stretching, each metamaterial unit resembles the north dome of Jameh Mosque, Iran (built 1087–1088 AD), until the attainment of the fully opened configuration, which resembles a structure in Agra, India, near the Taj Mahal. Both infinitesimal and finite deformation models of the effective Young’s modulus for the metamaterial structure were established using strain energy approach in terms of the spiral spring stiffness and geometrical parameters, with assumptions to preserve the eight-fold symmetricity of every metamaterial unit. Results indicate that the prescription of strain raises the effective Young’s modulus in an exponential manner until full extension is attained. This metamaterial is useful for applications where the overall shape of the structure must be conserved in spite of uniaxial application of load, and where deformation is permitted under limited range, which is quickly arrested as the deformation progresses. Full article

Using normalized Hermite functions, we construct bases in the space of square integrable functions on the unit circle ($L^2(\mathcal{C})$) and in $l_2(\mathbb{Z})$, which are related to each other by means of the Fourier transform and the discrete Fourier transform. These relations are unitary. The construction of orthonormal bases requires the use of the Gramm–Schmidt method. On both spaces, we have provided ladder operators with the same properties as the ladder operators for the one-dimensional quantum oscillator. These operators are linear combinations of some multiplication- and differentiation-like operators that, when applied to periodic functions, preserve periodicity. Finally, we have constructed riggings for both $L^2(\mathcal{C})$ and $l_2(\mathbb{Z})$, so that all the mentioned operators are continuous. Full article

We describe recent work on the physics of the Higgs boson and breaking of the electroweak symmetry at future muon colliders. Starting from the low-energy muon collider at the Higgs boson pole we extend our discussion to the multi-TeV muon collider and outline the physics case for such machines about the properties of the Higgs boson and physics beyond the Standard Model that can be possibly discovered. Full article

The jungle of experimental behaviors of spin-crossover materials contains a tremendous number of unexpected behaviors, among which, the unsymmetrical hysteresis loops having different shapes on heating and cooling, that we often encounter in literature. Excluding an extra effect of crystallographic phase transitions, we study here these phenomena from the point of view of elastic modeling and we demonstrate that a simple model accounting for the bond lengths misfits between the high-spin and low-spin states is sufficient to describe the situation of unsymmetrical hysteresis showing plateaus at the transition only on cooling or on heating branches. The idea behind this effect relates to the existence of a discriminant elastic frustration in the lattice, which expresses only along the high-spin to low-spin transition or in the opposite side. The obtained two-step transitions showed characteristics of self-organization of the spin states under the form of stripes, which we explain as an emergence process of antagonist directional elastic interactions inside the lattice. The analysis of the spin state transformation inside the plateau on cooling in terms of two sublattices demonstrated that the elastic-driven self-organization of the spin states is accompanied with a symmetry breaking. Full article

One of the most intriguing phenomenons related to deep learning is the so-called adversarial examples. These samples are visually equivalent to normal inputs, undetectable for humans, yet they cause the networks to output wrong results. The phenomenon can be framed as a symmetry/asymmetry problem, whereby inputs to a neural network with a similar/symmetric appearance to regular images, produce an opposite/asymmetric output. Some researchers are focused on developing methods for generating adversarial examples, while others propose defense methods. In parallel, there is a growing interest in characterizing the phenomenon, which is also the focus of this paper. From some well known datasets of common images, like CIFAR-10 and STL-10, a neural network architecture is first trained in a normal regime, where training and validation performances increase, reaching generalization. Additionally, the same architectures and datasets are trained in an overfitting regime, where there is a growing disparity in training and validation performances. The behaviour of these two regimes against adversarial examples is then compared. From the results, we observe greater robustness to adversarial examples in the overfitting regime. We explain this simultaneous loss of generalization and gain in robustness to adversarial examples as another manifestation of the well-known fitting-generalization trade-off. Full article

A recent paper presents an extension of the skew-normal distribution which is a copula. Under this model, the standardized marginal distributions are standard normal. The copula itself depends on the familiar skewing construction based on the normal distribution function. This paper is concerned with two topics. First, the paper presents a number of extensions of the skew-normal copula. Notably these include a case in which the standardized marginal distributions are Student’s t, with different degrees of freedom allowed for each margin. In this case the skewing function need not be the distribution function for Student’s t, but can depend on certain of the special functions. Secondly, several multivariate versions of the skew-normal copula model are presented. The paper contains several illustrative examples. Full article

The article extends a model-based controller design to higher-order systems, focusing on the speed and shapes of the closed loop responses, including the noise attenuation. It shows that, to obtain simple but reliable results, it is necessary to pay attention to the initial process identification and modelling and also to modify the target closed-loop transfer functions, which must remain causal. To attenuate high initial control signal peaks, appropriate pre-filters are introduced. In order to work with as few parameters as possible, all higher-order transfer functions (process models, target closed loops, pre-filters and noise-attenuation filters) are selected in the form of binomial filters with multiple time constants. Consequently, the so-called “half-rule”, used to reduce too complex process transfer functions, has been modified accordingly. Because derived controllers can lead to different transient dynamics depending on the context of use, the article recalls the need to introduce dynamic classes of control to clarify the mission of individual types of controllers. Consequently, also the performance evaluation using the total variation (TV) criterion had to be refined. Indeed, in its original version, TV is not suitable to distinguish between reasonable and excessive control effort due to improper tuning and noise. The modified TVs allow evaluating higher order systems with multiple changes in direction of their control signal increase without contributing to the excessive control increments. The advantages of the proposed modifications, compared to the traditional approaches, are made clear through simulation examples. Full article

In this paper the mathematical and physical correlation between fundamental thermophysical properties of materials, with their structure, for nanofluid thermal performance in spray cooling applications is presented. The present work aims at clarifying the nanofluid characteristics, especially the geometry of their nanoparticles, leading to heat transfer enhancement at low particle concentration. The base fluid considered is distilled water with the surfactant cetyltrimethylammonium bromide (CTAB). Alumina and silver are used as nanoparticles. A systematic analysis addresses the effect of nanoparticles concentration and shape in spray hydrodynamics and heat transfer. Spray dynamics is mainly characterized using phase Doppler interferometry. Then, an extensive processing procedure is performed to thermal and spacetime symmetry images obtained with a high-speed thermographic camera to analyze the spray impact on a heated, smooth stainless-steel foil. There is some effect on the nanoparticles’ shape, which is nevertheless minor when compared to the effect of the nanoparticles concentration and to the change in the fluid properties caused by the addition of the surfactant. Hence, increasing the nanoparticles concentration results in lower surface temperatures and high removed heat fluxes. In terms of the effect of the resulting thermophysical properties, increasing the nanofluids concentration resulted in the increase in the thermal conductivity and dynamic viscosity of the nanofluids, which in turn led to a decrease in the heat transfer coefficients. On the other hand, nanofluids specific heat capacity is increased which correlates positively with the spray cooling capacity. The analysis of the parameters that determine the structure, evolution, physics and both spatial and temporal symmetry of the spray is interesting and fundamental to shed light to the fact that only knowledge based in experimental data can guarantee a correct setting of the model numbers. Full article

The DFT calculations have been performed on a series of two-element complexes formed by substituted 2,6-diaminopyridine (R−PDA) and pyridine (R−Pyr) with X−CY₃ molecules (where X = Cl, Br and Y = H, F). The primary aim of this study was to examine the intermolecular hydrogen and halogen bonds in the condition of their mutual coexistence. Symmetry/antisymmetry of the interrelation between three individual interactions is addressed. It appears that halogen bonds play the main role in the stabilization of the structures of the selected systems. However, the occurrence of one or two hydrogen bonds was associated with the favourable geometry of the complexes. Moreover, the impact of different substituent groups attached in the para position to the aromatic ring of the 2,6-diaminopyridine and pyridine on the character of the intermolecular hydrogen and halogen bonds was examined. The results indicate that the presence of electron-donating substituents strengthens the bonds. In turn, the presence of electron-withdrawing substituents reduces the strength of halogen bonds. Additionally, when hydrogen and halogen bonds lose their leading role in the complex formation, the nonspecific electrostatic interactions between dipole moments take their place. Analysis was based on geometric, energetic, and topological parameters of the studied systems. Full article

In this paper, we introduce the general fractional integrals and derivatives of arbitrary order and study some of their basic properties and particular cases. First, a suitable generalization of the Sonine condition is presented, and some important classes of the kernels that satisfy this condition are introduced. Whereas the kernels of the general fractional derivatives of arbitrary order possess integrable singularities at the point zero, the kernels of the general fractional integrals can—depending on their order—be both singular and continuous at the origin. For the general fractional integrals and derivatives of arbitrary order with the kernels introduced in this paper, two fundamental theorems of fractional calculus are formulated and proved. Full article

Biometric classification plays a key role in fingerprint characterization, especially in the identification process. In fact, reducing the number of comparisons in biometric recognition systems is essential when dealing with large-scale databases. The classification of fingerprints aims to achieve this target by splitting fingerprints into different categories. The general approach of fingerprint classification requires pre-processing techniques that are usually computationally expensive. Deep Learning is emerging as the leading field that has been successfully applied to many areas, such as image processing. This work shows the performance of pre-trained Convolutional Neural Networks (CNNs), tested on two fingerprint databases—namely, PolyU and NIST—and comparisons to other results presented in the literature in order to establish the type of classification that allows us to obtain the best performance in terms of precision and model efficiency, among approaches under examination, namely: AlexNet, GoogLeNet, and ResNet. We present the first study that extensively compares the most used CNN architectures by classifying the fingerprints into four, five, and eight classes. From the experimental results, the best performance was obtained in the classification of the PolyU database by all the tested CNN architectures due to the higher quality of its samples. To confirm the reliability of our study and the results obtained, a statistical analysis based on the McNemar test was performed. Full article

The charmonium-like exotic states $Y\left(4230\right)$ and the less known $Y\left(4320\right)$, produced in $e^{+}{e}^{-}$ collisions, are sources of positive parity exotic hadrons in association with photons or pseudoscalar mesons. We analyze the radiative and pion decay channels in the compact tetraquark scheme, with a method that proves to work equally well in the most studied $D^{\ast }\to \gamma /\pi +D$ decays. The decay of the vector Y into a pion and a $Z_c$ state requires a flip of charge conjugation and isospin that is described appropriately in the formalism used. Rates are found to depend on the fifth power of pion momentum, which would make the final states $\pi Z_c\left(4020\right)$ strongly suppressed with respect to $\pi Z_c\left(3900\right)$. The agreement with BES III data would be improved considering the $\pi Z_c\left(4020\right)$ events to be fed by the tail of the $Y\left(4320\right)$ resonance under the $Y\left(4230\right)$. These results should renovate the interest in further clarifying the emerging experimental picture in this mass region. Full article

All external electromagnetic fields in which the Klein-Gordon-Fock equation admits the first-order symmetry operators are found, provided that in the space-time $V_4$ a group of motion $G_3$ acts simply transitively on a non-null subspace of transitivity $V_3$. It is shown that in the case of a Riemannian space $V_n$, in which the group $G_r$ acts simply transitively, the algebra of symmetry operators of the n-dimensional Klein-Gordon-Fock equation in an external admissible electromagnetic field coincides with the algebra of operators of the group $G_r$. Full article

Observations of the synchrotron and inverse Compton emissions from ultrarelativistic electrons in astrophysical sources can reveal a great deal about the energy–momentum relations of those electrons. They can thus be used to place bounds on the possibility of Lorentz violation in the electron sector. Recent $\gamma$-ray telescope data allow the Lorentz-violating electron $c^{\nu \mu }$ parameters to be constrained extremely well, so that all bounds are at the level of $7\times {10}^{-16}$ or better. Full article

Modified theories of gravity that explicitly break diffeomorphism invariance have been used for over a decade to explore open issues related to quantum gravity, dark energy, and dark matter. At the same time, the Standard-Model Extension (SME) has been widely used as a phenomenological framework in investigations of spacetime symmetry breaking. Until recently, it was thought that the SME was suitable only for theories with spontaneous spacetime symmetry breaking due to consistency conditions stemming from the Bianchi identities. However, it has recently been shown that, particularly with matter couplings included, the consistency conditions can also be satisfied in theories with explicit breaking. An overview of how this is achieved is presented, and two examples are examined. The first is massive gravity, which includes a nondynamical background tensor. The second is a model based on a low-energy limit of Hořava gravity, where spacetime has a physically preferred foliation. In both cases, bounds on matter–gravity interactions that explicitly break diffeomorphisms are obtained using the SME. Full article

The rapid and selective responses to changes in habitat structure and climate have made butterflies valuable environmental indicators. In this study, we asked whether the decline in butterfly populations near the copper-nickel smelter in Monchegorsk in northwestern Russia is accompanied by phenotypic stress responses to toxic pollutants, expressed as a decrease in body size and an increase in fluctuating asymmetry. We measured the concentrations of nickel and copper, forewing length, and fluctuating asymmetry in two elements of wing patterns in Boloria euphrosyne, Plebejus idas, and Agriades optilete collected 1–65 km from Monchegorsk. Body metal concentrations increased toward the smelter, confirming the local origin of the collected butterflies. The wings of butterflies from the most polluted sites were 5–8% shorter than those in unpolluted localities, suggesting adverse effects of pollution on butterfly fitness due to larval feeding on contaminated plants. However, fluctuating asymmetry averaged across two hindwing spots did not change systematically with pollution, thereby questioning the use of fluctuating asymmetry as an indicator of habitat quality in butterfly conservation projects. Full article

In this paper, we investigate the regularity of weak solutions to the 3D incompressible MHD equations. We provide a regularity criterion for weak solutions involving any two groups functions $({\partial }_1{u}_1,{\partial }_1{b}_1)$, $({\partial }_2{u}_2,{\partial }_2{b}_2)$ and $({\partial }_3{u}_3,{\partial }_3{b}_3)$ in anisotropic Lorentz space. Full article

High precision atomic data are indispensable for studies of fundamental symmetries, tests of fundamental physics postulates, developments of atomic clocks, ultracold atom experiments, astrophysics, plasma science, and many other fields of research. We have developed a new parallel atomic structure code package that enables computations that were not previously possible due to system complexity. This code package also allows much quicker computations to be run with higher accuracy for simple systems. We explored different methods of load-balancing matrix element calculations for many-electron systems, which are very difficult due to the intrinsic nature of the computational methods used to calculate them. Furthermore, dynamic memory allocation and MPI parallelization have been implemented to optimize and accelerate the computations. We have achieved near-perfect linear scalability and efficiency with the number of processors used for calculation, paving the way towards the future where most open-shell systems will finally be able to be treated with good accuracy. We present several examples illustrating new capabilities of the newly developed codes, specifically correlating up to all 60 electrons in the highly charged Ir${}^{17+}$ ion and predicting certain properties of Fe${}^{16+}$. Full article

The paper considers a solution to the problem of developing two-stage hybrid SVM-kNN classifiers with the aim to increase the data classification quality by refining the classification decisions near the class boundary defined by the SVM classifier. In the first stage, the SVM classifier with default parameters values is developed. Here, the training dataset is designed on the basis of the initial dataset. When developing the SVM classifier, a binary SVM algorithm or one-class SVM algorithm is used. Based on the results of the training of the SVM classifier, two variants of the training dataset are formed for the development of the kNN classifier: a variant that uses all objects from the original training dataset located inside the strip dividing the classes, and a variant that uses only those objects from the initial training dataset that are located inside the area containing all misclassified objects from the class dividing strip. In the second stage, the kNN classifier is developed using the new training dataset above-mentioned. The values of the parameters of the kNN classifier are determined during training to maximize the data classification quality. The data classification quality using the two-stage hybrid SVM-kNN classifier was assessed using various indicators on the test dataset. In the case of the improvement of the quality of classification near the class boundary defined by the SVM classifier using the kNN classifier, the two-stage hybrid SVM-kNN classifier is recommended for further use. The experimental results approve the feasibility of using two-stage hybrid SVM-kNN classifiers in the data classification problem. The experimental results obtained with the application of various datasets confirm the feasibility of using two-stage hybrid SVM-kNN classifiers in the data classification problem. Full article

The majority of people with Multiple Sclerosis (pwMS), report lower limb motor dysfunctions, which may relevantly affect postural control, gait and a wide range of activities of daily living. While it is quite common to observe a different impact of the disease on the two limbs (i.e., one of them is more affected), less clear are the effects of such asymmetry on gait performance. The present retrospective cross-sectional study aimed to characterize the magnitude of interlimb asymmetry in pwMS, particularly as regards the joint kinematics, using parameters derived from angle-angle diagrams. To this end, we analyzed gait patterns of 101 pwMS (55 women, 46 men, mean age 46.3, average Expanded Disability Status Scale (EDSS) score 3.5, range 1–6.5) and 81 unaffected individuals age- and sex-matched who underwent 3D computerized gait analysis carried out using an eight-camera motion capture system. Spatio-temporal parameters and kinematics in the sagittal plane at hip, knee and ankle joints were considered for the analysis. The angular trends of left and right sides were processed to build synchronized angle–angle diagrams (cyclograms) for each joint, and symmetry was assessed by computing several geometrical features such as area, orientation and Trend Symmetry. Based on cyclogram orientation and Trend Symmetry, the results show that pwMS exhibit significantly greater asymmetry in all three joints with respect to unaffected individuals. In particular, orientation values were as follows: 5.1 of pwMS vs. 1.6 of unaffected individuals at hip joint, 7.0 vs. 1.5 at knee and 6.4 vs. 3.0 at ankle (p < 0.001 in all cases), while for Trend Symmetry we obtained at hip 1.7 of pwMS vs. 0.3 of unaffected individuals, 4.2 vs. 0.5 at knee and 8.5 vs. 1.5 at ankle (p < 0.001 in all cases). Moreover, the same parameters were sensitive enough to discriminate individuals of different disability levels. With few exceptions, all the calculated symmetry parameters were found significantly correlated with the main spatio-temporal parameters of gait and the EDSS score. In particular, large correlations were detected between Trend Symmetry and gait speed (with rho values in the range of −0.58 to −0.63 depending on the considered joint, p < 0.001) and between Trend Symmetry and EDSS score (rho = 0.62 to 0.69, p < 0.001). Such results suggest not only that MS is associated with significantly marked interlimb asymmetry during gait but also that such asymmetry worsens as the disease progresses and that it has a relevant impact on gait performances. Full article

Three (Z)-5-(azulen-1-ylmethylene)-2-thioxo-thiazolidin-4-ones are electrochemically characterized by cyclic voltammetry, differential pulse voltammetry, and rotating disk electrode voltammetry. The electrochemical investigations revealed that the redox potential is influenced by the number and position of the alkyl groups, and the possible oxidation mechanism is proposed. These compounds, after their immobilization on glassy carbon electrodes during oxidative electropolymerization, were examined as complexing ligands for heavy metal ions from aqueous solutions through adsorptive stripping voltammetry. Full article

Data hiding is a technique that embeds a secret message into a cover medium and transfers the hidden information in the secret message to the recipient. In the past, several data hiding methods based on magic matrix have used various geometrical shapes to transmit secret data. The embedding capacity achieved in these methods was often limited due to simple geometrical layouts. This paper proposes a data hiding scheme based on a double-layer octagon-shaped shell matrix. Compared to previous octagon-shaped data hiding methods, the proposed method embeds a total of 7 bits in each pixel pair, reaching an embedding capacity of 3.5 bits per pixel (bpp). Experimental results show that the proposed scheme has a higher embedding capacity compared to other irreversible data hiding schemes. Using the proposed method, it is possible to maintain the Peak Signal to Noise Ratio (PSNR) within an acceptable range with the embedding time less than 2 s. Full article

Motivated by the work of Saridakis (Phys. Rev. D102, 123525 (2020)), the present study reports the cosmological consequences of Barrow holographic dark energy (HDE) and its thermodynamics. The literature demonstrates that dark energy (DE) may result from electroweak symmetry breaking that triggers a phase transition from early inflation to late-time acceleration. In the present study, we incorporated viscosity in the Barrow HDE. A reconstruction scheme is presented for the parameters associated with Barrow holographic dark energy under the purview of viscous cosmology. The equation of state (EoS) parameter is reconstructed in this scenario and quintessence behaviour is observed. Considering Barrow HDE as a specific case of Nojiri–Odintsov (NO) HDE, we have observed quintom behaviour of the EoS parameter and for some values of n the EoS has been observed to be very close to $-1$ for the current universe. The generalised second law of thermodynamics has come out to be valid in all the scenarios under consideration. Physical viability of considering Barrow HDE as a specific case of NO HDE is demonstrated in this study. Finally, it has been observed that the model under consideration is very close to $\Lambda$CDM and cannot go beyond it. Full article

Intra- and inter-molecular interactions were studied in 2,3-dichloro-5,8-dihydroxy-1,4-naphthoquinone and 1,4-dihydroxy-anthraquinone to shed more light on the molecular assembly phenomena. The electronic ground and excited states features of the compounds were investigated to find structure-property dependencies. The theoretical study was carried out on the basis of Density Functional Theory (DFT), its Time-Dependent (TD-DFT) extension, and using Car–Parrinello Molecular Dynamics (CPMD). In order to show how the environmental effects modulate the physico-chemical properties, the simulations were performed in vacuo, with the solvent reaction field (Polarizable Continuum Model (PCM) and water as a solvent) and crystalline phase. The intramolecular hydrogen bonds and the bridged proton dynamics were analyzed in detail. The aromatic rings and electronic structure changes were estimated using the Harmonic Oscillator Model of Aromaticity (HOMA) and Atoms in Molecules (AIM) theory. The Symmetry-Adapted Perturbation Theory (SAPT) was employed for interaction energy decomposition in the studied dimers and trimers. It was found that the presence of a polar solvent decreased the energy barrier for the bridged proton transfer. However, it did not significantly affect the aromaticity and electronic structure. The SAPT results showed that the mutual polarization of the monomers in the dimer was weak and that the dispersion was responsible for most of the intermolecular attraction. The intermolecular hydrogen bonds seem to be much weaker than the intramolecular bridges. The TD-DFT results confirmed that the electronic excitations do not play any significant role in the intramolecular proton transfer. The CPMD results indicated that the protons are very labile in the hydrogen bridges. Short proton transfer and proton-sharing events were observed, and a correlation between them in the twin bridges was noticed, especially for the first investigated compound. Full article

Atomic cascades are ubiquitous in nature and they have been explored within very different scenarios, from precision measurements to the modeling of astrophysical spectra, and up to the radiation damage in biological matter. However, up to the present, a quantitative analysis of these cascades often failed because of their inherent complexity. Apart from utilizing the rotational symmetry of atoms and a proper distinction of different physical schemes, a hierarchy of useful approaches is therefore needed in order to keep cascade computations feasible. We here suggest a classification of atomic cascades and demonstrate how they can be modeled within the framework of the Jena Atomic Calculator. As an example, we shall compute within a configuration-average approach the stepwise decay cascade of atomic magnesium, following a $1s$ inner-shell ionization, and simulate the corresponding (final) ion distribution. Our classification of physical scenarios (schemes) and the hierarchy of computational approaches are both flexible to further refinements as well as to complex shell structures of the atoms and ions, for which the excitation and decay dynamics need to be modeled in good detail. Full article

Our main focus in this work is the classical variational inequality problem with Lipschitz continuous and pseudo-monotone mapping in real Hilbert spaces. An adaptive reflected subgradient-extragradient method is presented along with its weak convergence analysis. The novelty of the proposed method lies in the fact that only one projection onto the feasible set in each iteration is required, and there is no need to know/approximate the Lipschitz constant of the cost function a priori. To illustrate and emphasize the potential applicability of the new scheme, several numerical experiments and comparisons in tomography reconstruction, Nash–Cournot oligopolistic equilibrium, and more are presented. Full article

Tensor-based signal processing methods are usually employed when dealing with multidimensional data and/or systems with a large parameter space. In this paper, we present a family of tensor-based adaptive filtering algorithms, which are suitable for high-dimension system identification problems. The basic idea is to exploit a decomposition-based approach, such that the global impulse response of the system can be estimated using a combination of shorter adaptive filters. The algorithms are mainly tailored for multiple-input/single-output system identification problems, where the input data and the channels can be grouped in the form of rank-1 tensors. Nevertheless, the approach could be further extended for single-input/single-output system identification scenarios, where the impulse responses (of more general forms) can be modeled as higher-rank tensors. As compared to the conventional adaptive filters, which involve a single (usually long) filter for the estimation of the global impulse response, the tensor-based algorithms achieve faster convergence rate and tracking, while also providing better accuracy of the solution. Simulation results support the theoretical findings and indicate the advantages of the tensor-based algorithms over the conventional ones, in terms of the main performance criteria. Full article

In this paper, we study possible mathematical connections of the Clifford algebra with the $su\left(N\right)$-Lie algebra, or in more physical terms the links between space-time symmetry (Lorentz invariance) and internal $SU\left(N\right)$ gauge-symmetry for a massive spin one-half fermion described by the Dirac equation. The related matrix algebra is worked out in particular for the $SU\left(2\right)$ symmetry and outlined as well for the color gauge group $SU\left(3\right)$. Possible perspectives of this approach to unification of symmetries are briefly discussed. The calculations make extensive use of tensor multiplication of the matrices involved, whereby our focus is on revisiting the Coleman–Mandula theorem. This permits us to construct unified symmetries between Lorentz invariance and gauge symmetry in a direct product sense. Full article

This study has focused on the structure, bonding, and reactivity analysis of closo-borate anions [B_nH_n]²⁻ (n = 5–12). Several descriptors of B–H interactions have been calculated. It has been found that the values of electron density and total energy at bond critical point are the most useful descriptors for investigation of B–H interactions. Using results from the descriptor analysis, one may conclude that orbital interactions in [B_nH_n]²⁻ increase with increasing the boron cluster size. Several approaches to estimate atomic charges have been applied. Boron atoms in apical positions have more negative values of atomic charges as compared with atoms from equatorial positions. The mean values of boron and hydrogen atomic charges tend to be more positive with the increasing of boron cluster size. Global and local reactivity descriptors using conceptual density functional theory (DFT) theory have been calculated. Based on this theory, the closo-borate anions [B_nH_n]²⁻ (n = 5–9) can be considered strong and moderate electrophiles, while the closo-borate anions [B_nH_n]²⁻ (n = 10–12) can be considered marginal electrophiles. Fukui functions for electrophilic attack have been calculated. Fukui functions correlate well with atomic charges of the closo-borate anions. Boron atoms in apical positions have the most positive values of Fukui functions. Full article

Two new hydrated multicomponent crystals of zwitterionic 2-aminonicotinic acid with maleic and fumaric acids have been obtained and thoroughly characterized by a variety of experimental (X-ray analysis and terahertz Raman spectroscopy) and theoretical periodic density functional theory calculations, followed by Bader analysis of the crystalline electron density) techniques. It has been found that the Raman-active band in the region of 300 cm⁻¹ is due to the vibrations of the intramolecular O-H...O bond in the maleate anion. The energy/enthalpy of the intermolecular hydrogen bonds was estimated by several empirical approaches. An analysis of the interaction networks reflects the structure-directing role of the water molecule in the examined multicomponent crystals. A general scheme has been proposed to explain the proton transfer between the components during the formation of multicomponent crystals in water. Water molecules were found to play the key role in this process, forming a “water wire” between the COOH group of the dicarboxylic acid and the COO^– group of the zwitterion and the rendering crystal lattice of the considered multicomponent crystals. Full article

In a previous paper, we have shown that Newton’s third law cannot strictly hold in a distributed system of which the different parts are at a finite distance from each other. This is due to the finite speed of signal propagation which cannot exceed the speed of light in vacuum, which in turn means that when summing the total force in the system the force does not add up to zero. This was demonstrated in a specific example of two current loops with time dependent currents, the above analysis led to suggestion of a relativistic engine. Since the system is effected by a total force for a finite period of time this means that the system acquires mechanical momentum and energy, the question then arises how can we accommodate the law of momentum and energy conservation. The subject of momentum conservation was discussed in a pervious paper, while preliminary results regarding energy conservation where discussed in some additional papers. Here we give a complete analysis of the exchange of energy between the mechanical part of the relativistic engine and the field part, the energy radiated from the relativistic engine is also discussed. We show that the relativistic engine effect on the energy is 4th-order in $\frac{1}{c}$ and no lower order relativistic engine effect on the energy exists. Full article

The Newton–Hooke duality and its generalization to arbitrary power laws in classical, semiclassical and quantum mechanics are discussed. We pursue a view that the power-law duality is a symmetry of the action under a set of duality operations. The power dual symmetry is defined by invariance and reciprocity of the action in the form of Hamilton’s characteristic function. We find that the power-law duality is basically a classical notion and breaks down at the level of angular quantization. We propose an ad hoc procedure to preserve the dual symmetry in quantum mechanics. The energy-coupling exchange maps required as part of the duality operations that take one system to another lead to an energy formula that relates the new energy to the old energy. The transformation property of the Green function satisfying the radial Schrödinger equation yields a formula that relates the new Green function to the old one. The energy spectrum of the linear motion in a fractional power potential is semiclassically evaluated. We find a way to show the Coulomb–Hooke duality in the supersymmetric semiclassical action. We also study the confinement potential problem with the help of the dual structure of a two-term power potential. Full article

To address the problem that traditional stream ciphers are not sensitive to changes in the plaintext, a novel plaintext-related color image encryption scheme is proposed in this paper, which combines the 6-dimensional cellular neural network (CNN) and Chen’s chaotic system. This encryption scheme belongs to symmetric cryptography. In the proposed scheme, the initial key and switching function generated by the plaintext image are first utilized to control the CNN to complete the scrambling process. Then, Chen’s chaotic system is used to diffuse the scrambled image for realizing higher security. Finally, extensive performance evaluation is undertaken to validate the proposed scheme’s ability to offer the necessary security. Furthermore, the scheme is compared alongside state-of-the-art algorithms to establish its efficiency. Full article

Background: We analyze several constraints on the nuclear equation of state (EOS) currently available from neutron star (NS) observations and laboratory experiments and study the existence of possible correlations among properties of nuclear matter at saturation density with NS observables. Methods: We use a set of different models that include several phenomenological EOSs based on Skyrme and relativistic mean field models as well as microscopic calculations based on different many-body approaches, i.e., the (Dirac–)Brueckner–Hartree–Fock theories, Quantum Monte Carlo techniques, and the variational method. Results: We find that almost all the models considered are compatible with the laboratory constraints of the nuclear matter properties as well as with the largest NS mass observed up to now, $2.{14}_{-0.09}^{+0.10}{M}_{\odot }$ for the object PSR J0740+6620, and with the upper limit of the maximum mass of about 2.3–2.5$M_{\odot }$ deduced from the analysis of the GW170817 NS merger event. Conclusion: Our study shows that whereas no correlation exists between the tidal deformability and the value of the nuclear symmetry energy at saturation for any value of the NS mass, very weak correlations seem to exist with the derivative of the nuclear symmetry energy and with the nuclear incompressibility. Full article

Research on trajectory tracking is crucial for the development of autonomous vehicles. This paper presents a trajectory tracking scheme by utilizing model predictive control (MPC) and preview-follower theory (PFT), which includes a reference generation module and a MPC controller. The reference generation module could calculate reference lateral acceleration at the preview point by PFT to update state variables, and generate a reference yaw rate in each prediction point. Since the preview range is increased, PFT makes the calculation of yaw rate more accurate. Through physical constraints, the MPC controller can achieve the best tracking of the reference path. The MPC problem is formulated as a linear time-varying (LTV) MPC controller to achieve a predictive model from nonlinear vehicle dynamics to continuous online linearization. The MPC-PFT controller method performs well by increasing the effective length of the reference path. Compared with MPC and PFT controllers, the effectiveness and robustness of the proposed method are proved by simulations of two typical working conditions. Full article

Both the theory of differential subordination and its dual, the theory of differential superordination, introduced by Professors Miller and Mocanu are based on reinterpreting certain inequalities for real-valued functions for the case of complex-valued functions. Studying subordination and superordination properties using different types of operators is a technique that is still widely used, some studies resulting in sandwich-type theorems as is the case in the present paper. The fractional integral of confluent hypergeometric function is introduced in the paper and certain subordination and superordination results are stated in theorems and corollaries, the study being completed by the statement of a sandwich-type theorem connecting the results obtained by using the two theories. Full article