The application of non-uniform spiral gratings to control structure, topological parameters and propagation of orbital angular momentum (OAM) beams was studied experimentally with coherent near-infrared light. Adapted digital spiral grating structures were programmed into the phase map of a high-resolution liquid-crystal-on-silicon spatial light modulator (LCoS-SLM). It is shown that characteristic spatio-spectral anomalies related to Gouy phase shift can be used as pointers to quantify rotational beam properties. Depending on sign and gradient of spatially variable periods of chirped spiral gratings (CSG), variations of rotation angle and angular velocity as a function of propagation distance were measured. Propagation-dependent self-torque is introduced in analogy to known local self-torque phenomena of OAM beams as obtained by the superposition of temporally chirped or phase modulated wavepackets.

Quantum physics is intrinsically probabilistic. The entropy of a quantum state quantifies the amount of randomness (or information loss) of such state. The degrees of freedom of a quantum state are position and spin, and upon their specification Born's rule in phase space defines randomness. We focus on the spin degree of freedom and elucidate the spin entropy. Then, we present some of its properties and show how entanglement increases spin entropy. Some speculative predictions on the decay of the $Z^0,W^{+,-}$ gauge bosons conclude the paper.

Long-range interactions are relevant for a large variety of quantum systems in quantum optics and condensed matter physics. In particular, the control of quantum-optical platforms promises to gain deep insights in quantum-critical properties induced by the long-range nature of interactions. From a theoretical perspective, long-range interactions are notoriously complicated to treat. Here, we give an overview of recent advancements to investigate quantum magnets with long-range interactions focusing on two techniques based on Monte Carlo integration. First, the method of perturbative continuous unitary transformations where classical Monte Carlo integration is applied within the embedding scheme of white graphs. This linked-cluster expansion allows to extract high-order series expansions of energies and observables in the thermodynamic limit. Second, stochastic series expansion quantum Monte Carlo which enables calculations on large finite systems. Finite-size scaling can then be used to determine physical properties of the infinite system. In recent years, both techniques have been applied successfully to one- and two-dimensional quantum magnets involving long-range Ising, XY, and Heisenberg interactions on various bipartite and non-bipartite lattices. Here, we summarise the obtained quantum-critical properties including critical exponents for all these systems in a coherent way. Further, we review how long-range interactions are used to study quantum phase transitions above the upper critical dimension and the scaling techniques to extract these quantum critical properties from the numerical calculations.

We changed the symmetry of the Weak Force from SU(2) to the quaternion group $Q_8$, and found that spin spacetime separates into two complementary spaces: a spin polarization spacetime of even parity states, and a spin coherence space, in the $S^3$ hypersphere, of odd parity coherent states. Under the quaternion group, spin is a boson of spin 1 in free flight and a fermion of spin $\frac{1}{2}$ when measured. It immediately follows that neutrinos are not needed to balance spin and conserve energy in beta decay. Additionally, we find the boson electrons emitted in beta decay are odd to parity, leading to parity conservation even though the observed beta distribution is asymmetrical.

The bipartite entanglement is comprehensively investigated in the mononuclear molecular complex (Et3NH)[Ni(hfac)2L], where HL denotes 2-(2-hydroxy-3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl and hfacH stands for hexafluoroacetylacetone. From the magnetic point of view, the molecular compound (Et3NH)[Ni(hfac)2L] consists of an exchange-coupled spin-1 Ni2+ magnetic ion and a spin-12 nitronyl-nitroxide radical substituted nitrophenol. The nickel-radical molecular complex affords an experimental realization of a mixed spin-(12, 1) Heisenberg dimer with a strong antiferromagnetic exchange coupling J/kB= 505 K and two distinct g-factors gRad=2.005 and gNi=2.275. By adopting this set of magnetic parameters we demonstrate that the Zeeman splitting of a quantum ferrimagnetic ground-state doublet due to a weak magnetic field may substantially reinforce the strength of bipartite entanglement at low temperatures. The molecular compound (Et3NH)[Ni(hfac)2L] maintains sufficiently strong thermal entanglement even at room temperature, vanishing only above 546 K. Specifically, the thermal entanglement in the nickel-radical molecular complex retains approximately 40% of the maximum value corresponding to perfectly entangled Bell states at room temperature, which implies that this magnetic compound provides suitable platform of a molecular qubit with potential implications for room-temperature quantum computation and quantum information processing.

Recognition, decoding and tracking of vortex patterns is of increasing importance in many fields reaching from astronomical observation of distant galaxies to turbulence phenomena in liquids or gases. Currently, coherent light beams with orbital angular momentum (OAM) are of particular interest for optical communication, metrology, micro-machining or particle manipulation. One common task is to identify characteristic spiral patterns in pixelated intensity maps at real-world signal-to-noise ratios. Recently, Fast Fourier Transform (FFT) was applied to the quantitative analysis of spiral interference patterns of OAM beams. Our study considers this approach in more detail. It is demonstrated that specific information can be extracted by combining conformal mapping by polar transform with determining one- or two-dimensional angular frequency spectra either in spatially fixed or scanning mode. Results of proof-of-principle experiments are presented.

Helical (frontier) molecular orbitals [Chem. Sci. 2013, 4, 4278] have been reported almost a decade ago. Yet, helical molecular spin densities [Mol. Phys. 2022, e2157774] have been observed by us only very recently. In this work, we have observed that some chiral boron clusters (B–16, B–20, B–24, and B–28) can simultaneously have helical molecular orbitals and helical spin densities. To our best knowledge, it is the first time we have discovered that inorganic boron clusters assume such an unprecedented property. We have unambiguously unraveled that it is chiral Jahn-Teller distortion of quasi-planar boron clusters that drives the formation of helical molecular spin densities. More interestingly, we have shown that elongation/enhancement of helical molecular orbitals can be achieved by simply adding more building blocks via a linker. Aromaticity properties of these boron clusters are also discussed. Implication of this work is straightforward that boron clusters may find potential applications in spintronics, such as molecular magnets.

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.

In the present paper, we efficiently solve the two-body problem for extreme cases such as those with high eccentricities. The use of numerical methods, with the usual variables, cannot maintain the perihelion passage accurately. In previous articles, we have verified that this problem is treated more adequately through temporal reparametrizations related to the mean anomaly through the partition function. The biparametric family of anomalies, with an appropriate partition function, allows a systematic study of these transformations. In the present work, we consider the elliptical orbit as a meridian section of the ellipsoid of revolution, and the partition function depends on two variables raised to specific parameters. One of the variables is the mean radius of the ellipsoid at the secondary, and the other is the distance to the primary. One parameter regulates the concentration of points in the apoapsis region, and the other produces a symmetrical displacement between the polar and equatorial regions. The three most used geodesy latitude variables are also studied, resulting in one not belonging to the biparametric family. However, it is in the one introduced now, which implies an extension of the biparametric method. The results obtained by the method presented here now allow a causal interpretation of the operation of numerous reparametrizations used in the study of orbital motion.

We present an analysis of the Dirac equation when the spin symmetry is changed from SU(2) to the quaternion group, $Q_8$, afforded by multiplying one of the $\gamma$-matrices by the imaginary number. The reason for doing this is to introduce a bivector into the spin algebra. This modifies the Dirac equation equation which separates into two distinct and complementary spaces: one describing polarization and the other coherence. The former describes a 2D structured spin and the latter its helicity, generated by a unit quaternion.

A statistical simulation is presented which reproduces the correlation obtained from EPR coincidence experiments without non-local connectivity. In addition to the spin polarization, we identify spin coherence as an attribute, and complementary to polarization, which is anti-symmetric and generates the helicity. This changes the point particle spin to a structured one with two orthogonal magnetic moments of spin $\frac{1}{2}$ each. They couple in free flight to form a spin 1, a boson. Upon encountering a filter, the boson decouples into its two independent spins axes of $\frac{1}{2}$, with one aligning with the filter and the other randomizing. The process of decoupling from a free-flight boson to a measured fermion is responsible for the quantum correlation which results in the observed violation of Bell's Inequalities. The only variable in this work is the angle that orients a spin on the Bloch sphere, first identified in the 1920's. The new features introduced here result from changing the spin symmetry from SU(2) to the quaternion group, $Q_8$.

This article presents a concise survey of basic discrete and semi-discrete nonlinear models which produce two- and three-dimensional (2D and 3D) solitons, and a summary of main theoretical and experimental results obtained for such solitons. The models are based on the discrete nonlinear Schrödinger (DNLS) equations and their generalizations, such as a system of discrete Gross-Pitaevskii (GP) equations with the Lee-Huang-Yang corrections, the 2D Salerno model (SM), DNLS equations with long-range dipole-dipole and quadrupole-quadrupole interactions, a system of coupled discrete equations for the second-harmonic generation with the quadratic (χ⁽²⁾) nonlinearity, a 2D DNLS equation with a superlattice modulation opening mini-gaps, a discretized NLS equation with rotation, a DNLS coupler and its PT-symmetric version, a system of DNLS equations for the spin-orbit-coupled (SOC) binary Bose-Einstein condensate, and others. The article presents a review of basic species of multidimensional discrete modes, including fundamental and vortex solitons, their bound states, gap solitons populating mini-gaps, symmetric and asymmetric solitons in the conservative and PT-symmetric couplers, cuspons in the 2D SM, discrete SOC solitons of the semi-vortex and mixed-mode types, 3D discrete skyrmions, and some others.

The study focuses on a novel porous TiNi-based material for ophthalmic orbital implants which was produced by self-propagating high-temperature synthesis (SHS) and, after proper surface modification, possesses a specific microstructure of its surface pores, which makes it attractive for biomedical use in implants. After preparation via SHS, the obtained porous TiNi material was etched in acidic environment, to get rid of its surface Ti2Ni secondary-phase particles. This was found to improve the material’s surface morphology, adding micro-roughness to its macro-rough pores. As a result, cell growth tests conducted on the material demonstrated improved cell adhesion and growth kinetics on such a porous material with improved roughness. Finally, the material was tested in vivo as an ophthalmic orbital implant, demonstrating good biocompatibility, good degree of biointegration with surrounding eyeball tissues, and no signs of rejection after as long as 180 days. Thus, the novel porous TiNi-based material shows promise for its use in ophthalmic implantology, for instanse for manufacturing musculoskeletal stumps of the eyeball after evisceration, as it is biocompatible, has a high tissue-implant integration potential and demonstrates reduced risks of exposure and rejection of the implant.

This work deals with a novel porous TiNi-based material for ophthalmic orbital implants that was produced by high-temperature synthesis (SHS) and possesses a specific microstructure of its surface pores, which makes it attractive for biomedical use in implants. After preparation via SHS, the obtained porous TiNi material was etched in acidic environment, to get rid of its surface Ti2Ni secondary-phase particles. This was found to improve the material’s surface morphology, adding micro-roughness to its macro-rough pores. As a result, cell growth tests conducted on the material demonstrated improved cell adhesion and growth kinetics on such a porous material with improved roughness. Finally, the material was tested in vivo as an ophthalmic orbital implant, demonstrating good biocompatibility, good degree of biointegration with surrounding eyeball tissues, and no signs of rejection after as long as 180 days. Thus, the novel porous TiNi-based material shows promise for its use in ophthalmic implantology, for instanse for manufacturing musculoskeletal stumps of the eyeball after evisceration, as it is biocompatible, has a high tissue-implant integration potential and demonstrates reduced risks of exposure and rejection of the implant.

In order to search possible residual minor phases in Y-Ba-Cu-O family, powdered mixtures of Y₂O₃ + BaCO₃ + CuO and, independently, superconducting compound YBa₂Cu₃O_7-x have been treated in evacuated cells and elevated temperatures.YBa₂Cu₃O_7-x was reduced to YBa₂Cu₃O₅ by use of the special home designed Taconis-Knudsen vacuum device. A subsequent doping by oxygen converts produced insulator YBa₂Cu₃O₅ to semiconductor or metal YBa₂Cu₃O_5+x (0<x<0.3). In addition to YBa₂Cu₃O₅, 0.05 volume percent of the minor delafossite phase Y₂Cu₂O₄ was being spotted in the powder mixture 1/2 Y₂O₃ + 2BaCO₃+6Cu₂O, heated up to 818 °C in an inert gas atmosphere. An attempt to prepare the insulating bulk delafossite samples was successful, and subsequent doping by oxygen produces novel metallic phases.

Changing the symmetry of spin from SU(2) to the quaternion group, $Q_8$, has many ramifications. In this paper we first summarize the properties of Q-spin and then discuss some of those resulting changes.

Spin-orbit coupling and nonparaxiality effects during propagation of vortex vector light beams in a cylindrical graded-index waveguide are investigated by solving the full three-component field Maxwell’s equations. Symmetry breaking effects for left- and right-handed circularly polarized vortex light beams propagating in a rotationally symmetric graded-index optical fiber are considered. The mode-group delay in a graded-index fiber due to spin-orbit interaction is demonstrated. It is shown that the relative delay times between vortex pulses of opposite circular polarizations of the order of 10 ps/km can be observed in graded-index fibers for high-order topological charges.

This article deals with a finite-source stock-dependent stochastic inventory system with heterogeneous servers and retrial facility. The system can store up to S number of items, and the lifetime of each item follows an exponential distribution. The primary customers arrive in a finite waiting hall from a finite source and get service from the multi-channel (c-heterogeneous servers). The customer’s arrival rate depends on the present stock level. Those customers who arrive while the waiting hall is full enter into the finite orbit. Also, customers in the waiting hall can become impatient and enter the orbit. The (s,Q) ordering policy is adopted for the replenishment of stocks. In the steady state, the joint probability distribution of a number of items in the inventory, busy servers, customers in the waiting hall, and orbit is computed. The comparative numerical analysis of heterogeneous and homogeneous servers on the expected total cost, the average number of customers in the waiting hall and orbit, the fraction of successful retrial rate, and the average impatient customer rate are also carried out.

Spin valves with a synthetic antiferromagnet were fabricated by magnetron sputtering. It was shown that the fabricated spin valves had perfect microstructure of layers and smooth interfaces, therefore RKKY interaction dominates in coupling of ferromagnetic layers separated by a copper spacer. Rhombus-shaped microobjects were fabricated from a single spin valve film. The thermomagnetic treatment procedure was found, to form unidirectional anisotropy in the microobject so, that the values of the exchange bias fields in the rhombus’ nonparallel sides were opposite in sign. For the synthetic antiferromagnet CoFeNi/Ru/CoFeNi the difference between ferromagnetic layers thicknesses was found, at which the thermomagnetic treatment forms the same exchange bias all over the rhombus’ side. The sensor element was fabricated in which each side of the rhombus was a shoulder of a Wheatstone bridge. After the thermomagnetic treatment procedure each shoulder worked as an active magnetosensitive element, thus the device operated as the full Wheatstone bridge. The sensor output has the shape of a step, high sensitivity to field change and significant magnetic hysteresis. Such characteristics are suitable for switching devices.

Tunable circular devices made of liquid crystals or other materials, like lenses, axicons or phase plates are often constrained by limitations in size, tunability, power and other parameters. These constrains restrict their use and limit their applicability. In this review, a thorough study of the use of light orbital angular momentum in LC devices manufacturing is presented. Twisted light amazingly fosters the simultaneous optimization of most critical parameters. Experimental demonstrations of unmatched performance of tunable LC lenses, axicons and other elements, in magnitudes such as lens diameter (> 1”), power and tunability (> ±6 diopters), fill factor (> 98%) and time response have been achieved by reversible vortex generation created by azimuthal phase delay. This phase delay can be eventually removed within the optical system, so that the lens performance is not affected.

The spin-1/2 quantum transverse Ising model, defined on a ladder structure, with nearest-neighbor and four-spin interaction on a plaquette, is studied by using exact diagonalization and finite-size-scaling procedures. The quantum phase transition between the ferromagnetic and paramagnetic phases has been obtained in the thermodynamic limit. The critical transverse field decreases as the antiferromagnetic four-spin interaction increases, and reaches a multicritical point. However, the exact diagonalization approach was not able to capture the essence of the dimer phase beyond the multicritical transition.

Raman scattering has been employed to study in detail the concentration dependence of the vibrational modes for the hexamethylenetetramine (HMTA) aqueous solutions. The formation of protonated and/or aggregated species has been clarified by comparing the experimental with the theoretically predicted vibrational spectra by means of quantum mechanical calculations. The analysis has shown that the vibrational modes of the solutions arise from a contribution of the vibrational modes of the HMTA self-aggregates and hetero-aggregates of HMTA with water molecules that are formed in the low- and intermediate-concentration region, respectively. The protonation of HMTA is ruled out due to the large differences between the experimental and the theoretically calculated spectra of the protonated molecules of HTMA in the fingerprint region. In the low-concentration solutions, the hetero-aggregation reaction of HMTA with water is the dominant mechanism, while at higher concentrations a self-aggregation mechanism occurs. Ultrasonic absorption and velocity measurements were carried out for hexamethylenetetramine aqueous solutions. The acoustic spectra reveal the presence of only one single Debye-type relaxation process that is assigned to the aggregation mechanism of HMTA. The sound absorption data follow two different dependencies on HMTA mole fraction. The crossover 0.018 mole fraction signifies two separate regions with distinct structural characteristics. The relaxation mechanism observed in dilute solutions is attributed to hetero-association of HMTA with water molecules, while at higher concentrations the observed relaxation process is assigned to the self-association reaction of HMTA molecules. This structural transformation is also reflected in several physicochemical properties of the system, including the kinematic viscosity, the mass density, the sound speed, and the adiabatic compressibility of the HMTA aqueous solutions. The combination of vibrational and acoustic spectroscopies with molecular orbital calculations allowed us to disentangle the underlying processes and to elucidate the observed relaxation mechanism in the HMTA aqueous solutions.

In this paper, the problem of autonomous optimal absolute orbit keeping for a satellite mission in Low Earth Orbit using electric propulsion is considered. The main peculiarity of the approach is to support small satellite missions in which the platform is equipped with a single thruster nozzle which provides acceleration on a single direction at a time. This constraint implies that an attitude maneuver is necessary before or during each thrusting arc to direct the nozzle into the desired direction. In this context, an attitude guidance algorithm specific for the orbit maneuver has been developed. A Model Predictive Control scheme is proposed, where the attitude kinematics are coupled with the orbital dynamics in order to obtain the optimal guidance profiles in terms of satellite state, reference attitude, and thrust magnitude. The proposed control scheme is developed exploiting Formation Flying techniques where the reference orbit is that of a virtual spacecraft that the main satellite is required to rendezvous with. In addition to the controller design, the closed loop configuration is presented supported by numerical simulations. The efficacy of the proposed autonomous orbit keeping approach is shown in several application scenarios.

Intercalation of noble metals can produce giant Rashba-type spin-orbit splittings in graphene. The spin-orbit splitting more than 100 meV has not yet been achieved in graphene on a metallic or a semiconductor substrate. Here, we report the p-type graphene obtained by Pt intercalation of zero-layer graphene on SiC substrate. The spin splitting of ∼200 meV was observed at a wide range of binding energies. Comparing the results of theoretical studies of different models with the experimantal ones measured by spin-ARPES, XPS and STM methods, we came to the conclusion that inducing giant spin-orbit splitting requires not only a fairly close arrangement of graphene to Pt layer, but also the presence of graphene corrugation caused by non-flat Pt layer. This makes it possible to find a compromise between strong hybridization and increased spin-orbit interaction. In our case, this is achieved by forming Pt submonolayer ordered on a nanometer scale under graphene.

Surgical navigation has evolved as a vital tool in maxillofacial surgery, offering precise and patient-specific data. This study explores the clinical applications and accuracy of intraoperative tool tracking in maxillofacial surgery. The research includes 37 patients with various pathologies who underwent surgery assisted by a surgical navigation system using tracked instruments. The study showcases two representative cases: one involving coronoid hyperplasia with mouth opening deficit and another addressing nose-orbital-ethmoidal-frontal ossifying fibroma resection. The results indicate that surgical navigation with tracked instruments provides high precision (<1.5 mm error), reduced surgical time, and less invasive approaches. The study highlights the potential for reproducible outcomes and increased safety, especially in complex cases. Despite some limitations, the synergy between surgical navigation and tracked instruments offers a promising approach in maxillofacial surgery, expanding its applications beyond current practices.

In previous papers we have shown how Schrödinger’s equation which includes an electromagnetic field interaction can be deduced from a fluid dynamical Lagrangian of a charged potential flow that interacts with an electromagnetic field. The quantum behaviour was derived from Fisher information terms which were added to the classical Lagrangian. It was thus shown that a quantum mechanical system is driven by information and not only electromagnetic fields. This program was applied also to Pauli’s equations by removing the restriction of potential flow and using the Clebsch formalism. Although the analysis was quite successful there were still terms that did not admit interpretation, some of them can be easily traced to the relativistic Dirac theory. Here we repeat the analysis for a relativistic flow, pointing to a new approach for deriving relativistic quantum mechanics.

Conical emission is a typical nonlinear phenomenon that occurs when the femtosecond laser pulses interact with transparent media. In this work, the conical emission induced by two kinds of typical vortex beams (i.e., Laguerre-Gaussian (LG) and Bessel-Gaussian (BG) beams) in water is experimentally studied. By recording the light spots of different wavelengths on the screen, the characteristics of the conical emission induced by femtosecond vortex beams are studied. It is found that the spots of the supercontinuum induced by the two kinds of vortex beams differ greatly from each other: The spots of the supercontinuum induced by the BG beam are a set of concentric rings like a rainbow with a white center, while the whit light spot in the case of the LG beam are a circular white disk, which is different from the commonly observed white light spots. By measuring the maximum divergence angle, it is observed that the divergence angle increases with the decrease of the wavelength, while the TC merely affects the divergence angle, which is explained from the formation mechanism of conical emission in terms of self-phase modulation. We hope this work can be helpful to the understanding of interaction between the intense laser pulses and matters.

In this work, a generalized analogue to the Pauli spin matrices is presented and investigated. The proposed Hermitian spin matrices exhibit a general symmetry. The generalized spin projection operators are derived and the electrodynamics for hypothetical fermions are explored using the proposed spin matrices. The fermionic quantum Heisenberg model is constructed using the proposed spin matrices and comparative studies against simulation results using the Pauli spin matrices are conducted. Further analysis on key findings as well as discussions on extending the proposed spin matrix framework to describe hypothetical bosonic systems (spin-1) are provided.

Block copolymers are a class of materials particularly interesting for their ability to self-assemble into ordered structures. In this context, the coupling between environment and dynamics is particularly relevant, given that movements at the molecular level influence various properties of macromolecules. Mixing the polymer with a second macromolecule appears to be an easy way to study these relationships. In this work, we studied a system based on two diblock copolymers of methyl methacrylate as first block and 3-methyl-4-[6-(methylacryloyloxy)-hexyloxy]-4’-pentyloxy azobenzene as second block and their blends with PMMA. The relaxational properties of these systems were investigated by electron spin resonance (ESR) spectroscopy sensitive to nanometric length-scales. The results of the study on the blends were related to the dynamic behavior of the copolymer. The study evidenced the presence of fast and slow molecular sites for the molecular reorientation at nanoscale, modulated by the ability of block copolymer to form supramolecular structures. For blends, the heterogeneities at nanoscale are still detected. However it was found that the presence of the PMMA as the major component of the blends modified their dynamic behaviour.

Polo-like kinase 1 (PLK1) plays a pivotal role in cell division regulation and emerges as a promising therapeutic target for cancer treatment. Consequently, the development of small-molecule inhibitors targeting PLK1 has become a focal point in contemporary research. The adenosine triphosphate (ATP)-binding site and the polo-box domain in PLK1 present crucial interaction sites for these inhibitors, aiming to disrupt the protein's function. However, designing potent and selective small-molecule inhibitors can be challenging, requiring a deep understanding of protein-ligand interaction mechanisms at these binding sites. In this context, our study leverages the fragment molecular orbital (FMO) method to explore these site-specific interactions in-depth. Through the FMO approach, we used the FMO method to elucidate the molecular mechanisms of small-molecule drug binding to these sites to design PLK1 inhibitors that are both potent and selective. Our investigation further entailed a comparative analysis of various PLK1 inhibitors, each characterized by distinct structural attributes. This comparison enhanced our understanding of the structure-activity relationships of these inhibitors, underscoring the efficacy of the FMO method in identifying critical binding features and predicting binding modes for small-molecule ligands. Furthermore, Our research spotlighted "hot spot" residues instrumental for selective and robust PLK1 binding. Our findings offer profound insights, priming the rational design of innovative potential PLK1 inhibitors with significant implications for developing anticancer therapeutics.

We examine here the conductance changes associated with the change in spin state in a variety of different structures, using the example of the spin crossover complex [Fe(H2B(pz)2)2(bipy)] (pz= (pyrazol-1-yl)-borate and bipy = 2,2’-bipyridine) and [Fe(Htrz)2(trz)](BF4)] (Htrz = 1H-1,2,4-triazole) thin films . This conductance change is highly variable depending on the mechanism driving the change in spin state, the substrate and the device geometry. Simply stated, the choice of spin crossover complex used to build a device is not the only factor in determining the change in conductance with the change in spin state.

K-Rb-83Kr based atomic co-magnetometer for measuring moving MEGs is theoretically studied in this paper. Parameters such as the spin exchange rates, the spin dephasing rates and the polarization of the nuclear spins are studied to configure the co-magnetometer. Results show that the nuclear spin could generate around 700 nT magnetic field under which the nuclear spin could compensate wide range of magnetic fields. We also showed the hybrid optical pumping vapor cell fabrication process in this paper. Alkali metals were mixed in a glove box and then was connected to the alkali vapor cell fabrication system. The vapor cell fabrication process is illustrated in this paper.

Spinors are used for the computation of probability in quantum mechanics. They are treated as elements of a complex vector space in contrast to a real vector space. Spinor theory is abstract mathematics with an ambiguous interpretation. The overall phase of spinors does not affect the computation of probability in quantum mechanics. If two spinors have an overall phase of imaginary number i, then they can be treated like vectors in a real vector space. The square of the magnitude of the number, which is the sum of dot product and the term having basis vector i of cross product of two such vectors, is equal to the probability computed using the corresponding spinors. Therefore, the geometry of such spinors can be easily depicted in a three-dimensional space like vectors in a real vector space. Spinors are not isotropic vectors in Hilbert space. The sum of dot product and cross product of two complex numbers is equivalent to the quotient of the division of one complex number by another. Similarly, the sum of dot product and cross product of two vectors is the quotient of the division of one vector by another. Using the rules of division of vectors, we can find the rules of multiplication of vectors. The rules of multiplication and division of basis vector i match the rules of multiplication and division of imaginary number i. Therefore, basis vector i is nothing but imaginary number i. Multiplication of dot and cross product of two vectors to the second vector will give us the components of the first vector that are parallel and orthogonal to the second vector. Vectors are also made up of complex numbers like spinors. The reason for finding dot product of complex numbers in the process of computing the probability is to ignore the overall phase in contrast to the phase difference. This is misconstrued as complex vector space in quantum mechanics. 3-D number which is nothing but a spinor with new notation is an extension of vector algebra. It can have a real number as a term in addition to the terms i, j and k. In all other respects, it is a vector. 3-D numbers are part of the number system like real numbers and complex numbers. The real numbers are one dimensional numbers, the complex numbers are two-dimensional numbers and the 3-D numbers as well as vectors and spinors are three-dimensional numbers. As polarisation and spin are one and the same, we can straight away apply 3-D numbers to polarisation of light. 3-D numbers will greatly simplify the study of areas of science where three-dimensional space is involved.

Abstract: The spectral and dynamic properties of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)

Complexes of triply positive europium ion with organic ligands are popular objects for studying photophysical properties. This is related not only to the bright red emission of this 4f element, but also to some spectroscopic peculiarities of its luminescence: the first excited spin-orbit level (7F1) lies only about 300 cm−1 above the ground state (7F0), so that at room temperature its population is around 25–30%. However, such electronic structure of Eu(III) provides its paramagnetism under ordinary conditions. This fact is often ignored by researchers, which is shortsighted from the materials science point of view. A comprehensive and systematic study of the magnetic behavior for the Eu(III) molecular coordination compounds is a challenging task for the development of new polyfunctional materials. The present work presents synthesis, single crystal XRD analysis results, and a magnetic study for the firstly prepared europium(III) complexes with two neutral scorpionate ligands: trispyrazolylmethane (HCPz3) and its methylated analog, tris(3,5-dimethyl-1-pyrazolyl)methane (HC(PzMe2)3). The values of the spin-orbit coupling parameter obtained for Eu-trication by a theoretical approximation of the experimental magnetic susceptibility data are compared with those known for the scarce amount of the magnetically studied molecular compounds.

In this paper, we consider the one-dimensional Ising model (shortly, 1D-MSIM) having mixed spin-(s,(2t−1)/2) with nearest neighbors and the external magnetic field. We establish the partition function of the model by means of the transfer matrix. Under a null boundary condition, we compute certain thermodynamic quantities for the 1D-MSIM. We find some precise formulas to determine the model’s free energy, entropy, magnetization, and susceptibility. By examining the model’s associated iterative equations, we use the cavity approach to investigate the phase transition problem. We numerically determine the model’s periodicity.

We study the influence of high-order twisting phases on polarization states and optical angular momentum of a vector light field with locally linear polarization and a hybrid state of polarization (SoP). The initial SoP of a twisted vector optical field (TVOF) modulated by the high-order twisting phase possesses various symmetric distributions. The propagating properties of a high-order TVOF with locally linear polarization and hybrid SoP are explored, including the intensity compression, expansion, and conversion between the linear and circular polarization components. In particular, orbital angular momentum (OAM) appears in a high-order TVOF during propagation where no OAM exists in the initial field. The variation of OAM distribution in cross-section becomes more frequent with the increase of the twisting phase order. In addition, a non-symmetric OAM distribution appears in an anisotropic TVOF, leading to the rotation of the beam around the propagation axis during propagation. These results provide a new approach for optical field manipulation in a high-order TVOF.

Accumulation of proteins in filter membranes limits the efficiently of filtering technologies for cleaning wastewater. Efforts are ongoing to coat commercial filters with different materials (such as titanium-dioxide, TiO2) in order to reduce the fouling of the membrane. Beyond monitoring the desired effect of retention of biomolecules, it is demanding to understand what are the biophysical changes in water-soluble proteins caused by interacting with the new coated filter membranes, an aspect that has received little attention so far. Using spin label electron paramagnetic resonance (EPR), aided with native fluorescent spectroscopy and dynamic light scattering (DLS), here we report the changes in the structure and dynamics of bovine serum albumin (BSA) exposed to TiO2 (P25) nanoparticles or passing through commercial polyvinylidene fluoride (PVDF) membranes coated with the same nanoparticles. We have found that the filtering process and prolongued exposure to TiO2 nanoparticles had significant effects on different regions of BSA, and denaturation of the protein was not observed, neither with TiO2 nanoparticles nor by pressing through TiO2-coated filter membranes.

The recently discovered Gaia BH1 binary system, a Sun-like star and a dark object (presumably a black hole), may significantly change our understanding of the population of low-q binaries. The paper presents the components mass ratio distributions of binary systems of different observational classes. They all demonstrate a significant shortage of low-q systems. It is shown that this shortage can be filled with the help of search and study of objects like Gaia BH1.

The theory of electron spin has been proposed for a century, but the study of quantum effects in biological molecules is still in its infancy. Chirality-induced spin selectivity (CISS) is a very modern theory that can explain many biochemical phenomena. In this paper, we propose a new theoretical model based on CISS theory and quantum chemistry theory, which can well explain the theoretical explanation of the chiral selectivity of chiral proteins. Moreover, this theory can predict the spin state of corresponding chiral molecules. Taking L-DOPA and AADC enzyme as examples, this theoretical model solves the theoretical explanation of AADC enzyme's chiral catalysis selectivity problem and successfully predicts the spin state of L-DOPA and D-DOPA's valence electrons.

Enophthalmos is a severe complication of primary reconstruction following orbital floor frac-tures, oncological resections or maxillo-facial syndromes. The goal of secondary reconstruction is to re-store symmetrical globe positions to recover function and aesthetics. In this article we pre-sent a method of computer-assisted orbital floor reconstruction using a mirroring technique and a customized titanium or high-density polyethylene mesh, printed using computer aided manufac-turing techniques. This reconstructive protocol involves 4 steps: mirroring of the healthy orbit at the affected site, vir-tual design of a patient specific orbital floor mesh, computer-assisted manufacturing (CAD) of the implant, and surgical insertion of the device. Using a computed tomography data set, the un-injured side of the craniofacial skeleton was reflected onto the contralateral injured side, and a reconstructive orbital floor prosthesis was virtually designed on the mirrored orbital bone sur-face. The solid-to-layer (.STL) files of the prosthesis were then manufactured using Direct Metal Laser Sintering (DMLS) or Computer Numerical Control (CNC) methods, leading to the produc-tion of 10 titanium meshes and 2 high density polyethylene (HDPE) implants. Clinical outcomes were assessed using 3dMD photogrammetry and computed tomography measures in 14 treated patients. The technique described here appears to be a viable method to correct complex orbital floor de-fects needing delayed reconstruction. This article represents the prosecution of a previous study, which is part of a wider experimental protocol for orbital floor reconstruction using comput-er-assisted design-computer-assisted manufacturing (CAD-CAM) technology

The digestive organs are highly sensitive to the influence of orbital flight factors and can limit the professional activities of crew members aboard the International Space Station. Connective tissue as a system-forming matrix of the integrative-buffer metabolic environment is of particular relevance in space biomedicine, ensuring the functioning of internal organs under an altered gravitational stimulus. However, the adaptive mechanisms of the fibrous extracellular matrix of the gastric and intestinal connective tissue have not been fully investigated under prolonged microgravity weightlessness. Using histochemical techniques, the authors experimentally studied the state of collagen fibers in the specific tissue microenvironment of the gastric and intestinal membranes in C57BL/6N mice after a 30-day space flight, subsequent 7-day ground readaptation, and in animals of the relevant control groups. The 30-day stay of laboratory animals aboard the Bion-M 1 biosatellite resulted in a reduction in the fibrous extracellular matrix of connective tissue in the studied digestive organs, excepting the gastric lamina propria. An increased fibrillogenesis was revealed in the gastrointestinal mucous membranes of animals in 7 days after the biosatellite landing, if compared with the parameters of animals of the space flight group. During the experiment with ground simulated orbital flight conditions, changes in collagen fibers were not significant compared to the vivarium control group. Thus, the results obtained evidence gravisensitivity of the fibrous extracellular matrix of the intraorgan connective tissue. This fact also highlights the necessity to further improve gastrointestinal tract-related preventive measures for astronauts during orbital flight.

We propose an experimental method for the unidirectional excitation of spin waves. By structuring Au nanowires arrays within a coplanar waveguide onto a thin yttrium iron garnet (YIG) film, we observe a chiral coupling between the excitation field geometry of the nanowires grating and several well-resolved propagating magnon modes. We report a propagating spin wave spectroscopy study with unprecedented spectral definition, wavelengths down to 130 nm and attenuation lengths well above the 100 μm over the 20 GHz frequency band. The proposed experiment paves the way for future non-reciprocal magnonic devices.

We propose a method of cooling nuclear spin systems of solid-state nanostructures by application of a time-dependent magnetic field synchronized with spin fluctuations. Optical spin noise spectroscopy is considered as the method of fluctuation control. Depending on the mutual orientation of the oscillating magnetic field and the probe light beam, cooling might be either provided by dynamic spin polarization in an external static field or result from population transfer between spin levels without build-up of a net magnetic moment (“true cooling”).

Photoluminescent (PL) layers and electroluminescent (EL) systems have been extensively explored for constructing flat panels, screen monitors, and lighting systems. Due to their optical properties, our group is interested in the relationship between optical properties and dielectric constant is converted due to thermal change. In this study, we prepared a zinc sulfide (ZnS) fluorescent film on barium-calcium zirconium titanate ceramics. BCZT0.85 (Ba0.85Ca0.15Zr0.1Ti0.9O3) and BCZT0.9 (Ba0.9Ca0.1Zr0.1Ti0.9O3) were prepared using the solid-state reaction method for the dielectric layer. The BCZT powders were calcined at 1200 and 1250 °C and dwell times of 2 and 4h. The phase formation and microstructure characteristics were then determined using X-ray diffraction and scanning electron microscopy, respectively. The dielectric behavior and optical properties rela-tionship was then studied to determine the composition and optimal conditions for further use as thermal detectors in electric vehicle battery packs. All BCZT powders exhibited the tetragonal phase, which was confirmed by JCPDS No. 01-079-2265. The dielectric constant increased with increasing calcining temperature or dwell time. The dielectric properties showed the BCZT0.85 ceramic sintered had the maximum dielectric constant of 15342 at calcine temperature of 1250 °C for 4h. Therefore, in this study, this condition was optimal for preparing the dielectric film. The maximum dielectric constant film is 42. The electroluminescence intensity of the samples increased in a temperature-dependent manner, with the highest EL intensity at 80 °C. Moreover, the electroluminescence intensity value was enhanced with the increase of the dielectric constant. Our results show promise for developing applications for Opto-thermal sensors.

A high perovskite activity is sought for use in magnetic applications. In this paper, we present the simple synthesis of (2.5 and 5%) Tellurium-impregnated-LaCoO3 (Te-LCO), Te and LaCoO3 (LCO) by using a ball mill, chemical reduction, and hydrothermal synthesis, respectively. We also explored the structure stability along with the magnetic properties of Te-LCO. Te has a rhombohedral crystal structure, whereas Te-LCO has a hexagonal crystal system. The reconstructed Te was imbued with LCO that was produced by hydrothermal synthesis; as the concentration of the imbuing agent grew, the material became magnetically preferred. According to the X-ray photoelectron spectra, the oxidation state of the cobaltite is one that is magnetically advantageous. As a result of the fact that the creation of oxygen-deficient perovskites has been shown to influence the mixed (Te4+/2-) valence state of the incorporated samples, it is abundantly obvious that this process is of utmost significance. The TEM image confirms the inclusion of Te in LCO. The samples start out in a paramagnetic state (LCO), but when Te is added to the mixture, the magnetic state shifts to a weak ferromagnetic one. It is at this point that hysteresis occurs due to the presence of Te. Despite being doped with Mn in our prior study, rhombohedral LCO retains its paramagnetic characteristic at room temperature (RT). As a result, the purpose of this study was to determine the impacts of RT field dependency of magnetization (M-H) for Te-impregnated LCO in order to improve the magnetic properties of RT because it is a low-cost material for advanced multi-functional and energy applications.

The synthesis and structural characterization of a new triangular Cu3-3OH pyrazolato complex of formula, [Cu3(μ3-OH)(pz)3(Hpz)3][BF4]2 (1-Cu3), Hpz = pyrazole, is presented. The triangular unit forms a quasi-isosceles triangle with Cu-Cu distances of 3.3739(9), 3.3571(9), and 3.370(1) Å. This complex is isostructural to the hexanuclear complex [Cu3(μ3-OH)(pz)3(Hpz)3](ClO4)2]2 (QOPJIP). A comparative structural analysis with other reported triangular Cu3-3OH pyrazolato complexes has been done, showing that, depending on the pyrazolato derivative, auxiliary ligand or counter-anion can affect the nuclearity and/or the dimensionality of the system. The magnetic properties of 1-Cu3 are analyzed by experimental data and DFT calculation. A detailed analysis is done on the magnetic properties comparing experimental and theoretical data of other molecular triangular Cu3-3OH complexes, showing that the displacement of the μ3-OH- from the Cu3 plane, together with the type of organic ligands, influences the nature of the magnetic exchange interaction between the spin-carrier centers, since it affects the overlap of the magnetic orbitals involved in the exchange pathways. Finally, a detailed comparison of the magnetic properties of 1-Cu3 and QOPJIP was done, which allowed us to understand the differences in their magnetic properties.

In particle physics, spin is an intrinsic form of angular momentum carried by the elementary particles. It is believed that spin is a solely quantum-mechanical phenomenon, which does not have a counterpart in classical mechanics. We have derived the simplest equations of spin and magnetic moment of a charged elementary particle. These formulas enable us to understand the physical nature of the spin and the structure of elementary particles. It is shown that the electron and muon are in the shape of a thin ring with a circular cross section (torus), and the proton is in the form of a ring with a non-circular cross section (toroid). The connection between the photon’s spin of and the propagation of electromagnetic waves is considered.

n this article a first attempt at formalizing a new approach to the grand unified theory is introduced. This theory named NUVO is based primarily on considering two aspects of inertia. The first aspect is how a mass couples to space, introducing definitions to distinguish massive particles from massless particles. The second aspect is space’s availability to couple to massive particles. In essence these are the two contributions of inertia; mass and space. Postulates, clarifications, and a mathematical structure are introduced. Part 1 covers the physics of the very large (cos- mic), laying ground work for part two which applies the structure to the very small (quantum). The cosmic application of the theory will show a strong correlation to empirical data and correspondence to General Rela- tivity, including; time dilation, length contraction, and orbital advances. Departing from the canonical findings of General Relativity by predicting a quantization of physical units under the effect of acceleration and or gravity.

We summarize the results on electron transport in hybrid superconducting S/B/S' mesa-structure consisted of the oxide epitaxial S/B heterostructures, where S is the cuprate YBa2Cu3O 7-x superconductor, B – an interlayer with the spin dependent characteristics, and S’ is the Nb top superconductor. Josephson effect was observed manifested in appearance of oscillating Shapiro steps amplitudes with microwave signal power due to synchronization of junction self-generation of electromagnetic radiation and the external microwave probe signal. Triplet component of superconducting correlations emerged when the interlayer comprised two magnetic materials SrRuO3 and La0.7Sr0.3MnO3 with non-collinear magnetizations as well in the case of antiferromagnetic insulator Sr2IrO4 characterized by strong spin-orbit interaction. Thickness of the interlayer in the both cases considerably exceeded the coherence length of the magnetic spin active interlayer hinting on appearance of long-range proximity effect and spin-triplet superconducting current. Magnetic field dependences measured at dc, and the existence of the second harmonic in superconducting current–phase relation revealed by measurements at microwave frequencies will be discussed.

Academic and corporate research has been focusing on analyzing stock performances, financial markets, and investment strategies for decades. According to Lynch and Rothchild (1989), certain investments can be described as plays. In this work, the authors use the term for investments in value stocks, spin-offs, and turnarounds to analyze the long-term stock performance and risk-adjusted excess returns of up to five years for those stocks. Additionally, stocks with a supe-rior return performance are identified within an investment play based on low P/E and P/B mul-tiples. The study finds that value stocks, spin-offs, and turnarounds outperform the S&P 500 on average on a one-, three- and five-year investment horizon. The analysis of the three investment plays confirms earlier studies that investment plays constitute a profitable investment opportunity. Moreover, the research exemplifies that private investors could achieve an excess return (alpha) through a passive buy-and-hold investment strategy. Overall, the analysis provides a deeper in-sight into the long-term performance of value stocks, spin-offs, and turnarounds.

1D spin crossover (SCO) solids which convert between the low-spin (LS) and the high-spin (HS) states are widely studied in the literature due to their diverse thermal and optical characters which allows obtaining many original behaviors, such as large thermal hysteresis, incomplete spin tran-sitions, as multi-step spin transitions with self-organized states. In the present work, we investigate the thermal behaviors of a system of two-elastically coupled 1D mononuclear chains, using the electro-elastic model, by including an elastic frustration in the nearest neighbors (nn) bond length distances of each chain. The chains are made of SCO sites that are coupled elastically through springs with their nn and next-nearest neighbors. The elastic inter-chain coupling includes diagonal springs, while the nn inter-chains distance is fixed to that of the high-spin state. The model is solved using MC simulations, performed on the spin states and the lattice distortions. When we only frustrate the first chain, we found a strong effect on the thermal-dependence of the HS fraction of the second chain, whose, by lowering its transition temperature which is also accompanied with the appearance of a significant residual HS fraction at low temperature. In the second step, we frustrate both chains by imposing different frustration rates and found that, for high frustration values, the thermal dependence of the total HS fraction exhibits three step and even four step spin transitions. The careful examination of the spin state structures in the plateau regions revealed the existence of special antiferro-elastic structure of type LSLS-HSHS-LSLS-HSHS along the first chain, and HSHS-LSLS-HSHS-LSLS along the second, also showing that the two chains seem to be antifer-ro-elastically coupled. This type of organization is interesting, because it anticipates the possible existence of periodic structures made of alternate 1D antiferro-like HS-LS strings coupled in the ferro-like fashion along the interchain direction in the 2D case.

NMR spin relaxation times have been an instrumental tool in deciphering the local en-vironment of ionic species, the various interactions they engender and the effect of these interactions on their dynamics in conducting media. Of particular importance has been their application in studying the wide range of electrolytes for energy storage, on which this chapter is based. Here we highlight some of the research carried out on electrolytes in recent years using NMR relaxometry techniques. Specifically, studies on liquid electro-lytes, such as ionic liquids and organic solvent; on semi-solid-state electrolytes, such as ionogels and polymer gels, and solid electrolytes such as glasses, glass ceramics and polymers. Although this chapter focuses on a small selection of materials, we believe they demonstrate the breadth of application and the invaluable nature of NMR relaxometry.

We present an analysis of the Dirac equation when the spin symmetry is changed from SU(2) to the quaternion group, $Q_8$, afforded by multiplying one of the $\gamma$-matrices by the imaginary number $i$. The reason for doing this is to introduce a bivector into the spin algebra. The resulting spin equation separates into distinct and complementary spaces, one describing polarization and the other coherence. The former describes a 2D structured spin and the latter its helicity, generated by a unit quaternion. We discuss some consequences.

We present an experimental study of the coherence properties of a single heavy-hole spin qubit formed in one quantum dot of a gated GaAs/AlGaAs double quantum dot device. We use a modified spin-readout latching technique in which the second quantum dot serves both as an auxiliary element for fast spin-dependent readout within a 200ns time window and also as a register for storing the spin-state information. To manipulate the single-spin qubit we apply sequences of microwave bursts of various amplitudes and durations to make Rabi, Ramsey, Hahn-echo, and CPMG measurements. As a result of the qubit manipulation protocols combined with the latching spin readout, we determine and discuss the achieved qubit coherence times: T1, T_Rabi, T2*, and T_CPMG vs microwave excitation amplitude, detuning and additional relevant parameters

Electrons moving at slow speeds much lower that the speed of light are described by a wave function which is a solution of Pauli’s equation. This is a low velocity limit of the relativistic Dirac equation. Here we compare two approaches, one which is the more conservative Copenhagen’s interpretation denying a trajectory of the electron but allowing a trajectory to the electron expectation value through Ehrenfest theorem. The said expectation value is of course calculated using a solution of Pauli’s equation. A less orthodox approach is championed by Bohm, and attributes a velocity field to the electron also derived from the Pauli wave function. It is thus interesting to compare the trajectory followed by the electron according to Bohm and its expectation value according to Ehrenfest. Both similarities and differences will be considered.

There are unsolved problems related to inflation, gravity, dark matter, dark energy, missing antimatter, and the birth of the universe. Some of them can be better answered by assuming the existence of aether and hypoatoms. Both were created during the inflation in the very early universe. While aether forms vacuum, hypoatoms, composed of both matter and antimatter and believed to be neutrinos, form all observable matter. In vacuum, aether exists between the particle-antiparticle dark matter form and the dark energy form in a dynamic equilibrium: A + A-bar = gamma + gamma. The same reaction stabilizes hypoatoms and generates a 3-dimensional sink flow of aether that causes gravity. Based on the hypoatom structure, the singularity does not exist inside a black hole; the core of the black hole is a hypoatom star or neutrino star. By gaining enough mass, ca. 3 X 10²² M_sun, to exceed neutrino degeneracy pressure, the black hole collapses or annihilates into the singularity, thus turning itself into a white hole or a Big Bang. The universe is anisotropic. Its center, or where the Big Bang happened, is at 0.66^+0.03_-0.01 times the radius of the observable universe at Galactic coordinates (l, b) = (286⁺¹⁰_-10, -43⁺⁷_-6). If we look from the Local Group to the center of the universe, the universe is rotating clockwise.

We synthesized iron(II)-triazole spin crossover compounds of the type [Fe(atrz)3]X2 and incorporated and deposited them on electrospun polymer nanofibers. In view of possible applications, we chose iron(II)-triazole-complexes that are known to exhibit spin crossover close to ambient temperature. Therefore we used the complexes [Fe(atrz)3]Cl2 and [Fe(atrz)3](2ns)2 (2ns = 2Naphthalenesulfonate) and analyzed them with IR-, UV/Vis and Mossbauer spectroscopy and with a SQUID magnetometer. The synthesized complexes were then in one attempt deposited on fibers of polymethylmethacrylate (PMMA) and in another attempt incorporated into core-shell like PMMA fiber structures. This was done via two different electrospinning methods. Deposition was performed by uniaxial electrospinning and incorporation was performed by coaxial electrospinning. The obtained polymer-complex-composites were then further investitgated by the same methods as the pure complexes as well as by SEM pictures and EDX measurements. The analysis by UV/Vis spectroscopy, Mössbauer spectroscopy and temperature-depended magnetic measurements with the SQUID magnetometer showed that the spin crossover properties were maintained and were not changed after the electrospinning processes and that the complexes were not harmed during the procedure.

We examine here characteristics of electromagnetic waves that propagate through an unbounded space filled with a homogeneous isotropic chiral medium. Resulting characters are compared to those of the electromagnetic waves propagating through an achiral free space. To this goal, we form energy conservation laws for key bilinear parameters in a chiral case. Due to a nonzero medium chirality, conservation laws turn out to contain extra terms that are linked to the spin-orbit coupling, which is absent for an achiral case. As an example, we take a plane wave for achiral case to evaluate those bilinear parameters. Resultantly, the conservation laws for a chiral case are found to reveal inconsistencies among several bilinear parameters that constitute the con-servation laws , thereby prompting us to establish partial remedies for formulating proper wave-propagation problems.

The electron of magnetic spin −1/2 is a Dirac fermion of a complex four-component spinor field. Though it is effectively addressed by relativistic quantum field theory, an intuitive form of the fermion still remains lacking. In this novel undertaking, the fermion is examined within the boundary posed by a recently proposed MP model of a hydrogen atom into 4D space-time. Such unorthodox process conceptually transforms the electron to the four-component spinor of non-abelian in both Euclidean and Minkowski space-times. Supplemented by several postulates, the relativistic and non-relativistic applications of the model are explored from an alternative perspective. The outcomes have important implications towards defining the spin-orbit coupling of particles from external light interactions. These findings, if considered could consolidate properly the fundamentals of the quantum state of matter from an alternative perspective using quantum field theory application and they warrant further investigations.

We propose a phenomenological theory of spin behavior in a magnetic field, which explains from the point of view of classical physics the two-valued result of the Stern-Gerlach experiment. The behavior of the spin and intrinsic magnetic moment of an electron wave of an atom in an external magnetic field is considered. We show that in a weak magnetic field, the intrinsic magnetic moment of an electron wave is always oriented parallel to the magnetic field strength vector, while in a strong magnetic field, depending on the initial orientation of the intrinsic magnetic moment, two orientations are realized: either parallel or antiparallel to the magnetic field strength vector. Within the framework of classical electrodynamics, the calculation of the motion of an atomic beam in an inhomogeneous magnetic field is carried out, which reproduces the results of the Stern-Gerlach experiment.

We identified six natural "control knobs" for global weather and climate, which clearly regulate, increase and decrease global temperatures, thus performing a true temperature "control" on Earth. Identified control knobs act as Earth's orbital forcing. We present a detailed Earth orbital model, from where the analysis proceeds. Based on our orbital model, we compare meteorological data from all over the globe, in order to detect orbital forcing fingerprints. Ninety temperature graphs and bar charts demonstrate the results. Empirical meteorological data covers the Pacific ocean, the Atlantic ocean, Arctic and Antarctic sea ice extent, and presents land based meteorological measurements from all continents for the year 2020, as well as multi-decadal data from global daily temperature datasets. A supplementary file provides another 100 additional graphs of weather data and temperature charts. The global orbital "temperature control" is clearly observable in all graphs and charts. Until today, orbital forcing has not been integrated in weather models and CMIP6 climate models.It is concluded that the proposed new orbital forcing should be part of weather and climate forecasting models.

In the framework of the self-consistent Maxwell-Pauli theory, the non-linear Pauli equation is obtained. Stationary and nonstationary solutions of the nonlinear Pauli equation for the hydrogen atom are studied. We show that spontaneous emission and the related rearrangement of the internal structure of an atom, which is traditionally called a spontaneous transition, have a simple and natural description in the framework of classical field theory without any quantization and additional hypotheses. The behavior of the intrinsic magnetic moment (spin) of an electron wave in an external magnetic field is considered. We show that, according to the self-consistent Maxwell-Pauli theory, in a weak magnetic field, the intrinsic magnetic moment of an electron wave is always oriented parallel to the magnetic field strength vector, while in a strong magnetic field, depending on the initial orientation of the intrinsic magnetic moment, two orientations are realized: either parallel or antiparallel to the magnetic field strength vector.

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

Using optical characterization, it is evident that the spin state of the spin crossover molecular complex [Fe{H2B(pz)2}2(bipy)] (pz = tris (pyrazol-1-1y)-borohydride, bipy = 2,2’-bipyridine) depends on the ferroelectric polarization of an adjacent thin film of the polymer ferroelectric polyvinylidene fluoride-hexafluoropropylene (PVDF-HFP). The UV-Vis spectroscopy reveals that room temperature switching of [Fe{H2B(pz)2}2(bipy)] molecules in bilayers of PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] as a function of ferroelectric polar polarization. The electric polarity dependence of bilayers of PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] shows a strong dependence on the thickness of the PVDF-HFP layer. The PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] interface may affect polarization retention in the PVDF-HFP thin film limit.

In this study, we describe quark confinement in terms of linear interaction potentials and solve the problem of the net spin of a proton. The three quarks in a proton are assumed to revolve around a common center, and their masses are determined assuming they are Dirac particles. On the basis of these assumptions, the magnetic moment of a proton can be derived. Moreover, the rotation of the quarks is considered, in which an electrical current induces a magnetic field. Thus, the scalar product of the magnetic moment and field describes the linear interaction potential between the quarks, and the mass of the proton can be obtained. The proton mass predicted by this physical model is consistent with experimental values, and no numerical or fitting calculations are required. Furthermore, using the newly derived spins and angular momentum of the three quarks, we derived the net spin of a proton. Additionally, we predicted the mass of a pi-meson from the same model, which agrees with the experimental values.

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.

State transition in the multiple-levels system has the great potential applications in the quantum technology. In this article we employ a deterministic approach in complex space to analyze the dynamics of the 1s-2p electron transition in the hydrogen atom. The electron’s spin motion is embodied in the framework of quantum Hamilton mechanics that allows us to examine the transition dynamics more precisely. The transition is driven by an oscillating electric field in the z-direction. The electron’s transition process can be visualized by monitoring its motion in the complex space. The quantum potential and the total energy proposed in this paper provide new indices to observe the dynamic changes of electrons in the transition process.

In this review, we trace the evolution of the quantum spin-wave theory treating non-collinear spin configurations. Non-collinear spin configurations are consequences of the frustration created by competing interactions. They include simple chiral magnets due to competing nearest-neighbor (NN) and next-NN interactions and systems with geometry frustration such as the triangular antiferromagnet and the Kagomé lattice. We review here spin-wave results of such systems and also systems with the Dzyaloshinskii-Moriya interaction. Accent is put on these non-collinear ground states which have to be calculated before applying any spin-wave theory to determine the spectrum of the elementary excitations from the ground states. We mostly show results from a self-consistent Green’function theory to calculate the spin-wave spectrum and the layer magnetizations at finite T in two and three dimensions as well as in thin films with surface effects. Some new unpublished results are also included. Analytical details and the validity of the method are shown and discussed.

In this review, several cost-effective thin-film coating methods which include dip-coating, spin-coating, spray-coating, blade-coating, and roll-coating are presented. Each method has its set of advantages and disadvantages depending on the type of application. Not all of them are appropriate for large-scale production due to their certain limitations. That is why the coating method should be selected based on the type and size of substrate including the resolution of the required thin-films. The sol-gel method offers several benefits, such as simplicity in fabrication, excellent film uniformity, the capacity to cover surfaces of any size and over vast areas, and a low processing temperature. Nevertheless, these coating methods are somewhat economical and well managed in low-budget laboratories. Moreover, the produced thin-films are homogeneous and have low-surface roughness. Furthermore, some other thin-film deposition methods such as physical vapor deposition (PVD) and chemical vapor deposition (CVD) are also discussed. Since CVD is not restricted to line-of-sight deposition, a characteristic shared by sputtering, evaporation, and other PVD processes, many manufacturing methods favor it. However, these techniques require sophisticated equipment and cleanroom facility. We aim to provide the pros and cons of thin-film coating methods and let the readers decide the suitable technique for their specific application.

The spin magnetic moments and spin g factors (g_s = -2) of electron, muon and tau are explained based on the electric charges (EC) and lepton charges (LC) in terms of the three-dimensional quantized space model. The spin g factors of electron, muon and tau are g_s = -2 which is the sum of the EC g factor (g_EC = -1) and the LC g factor (g_LC = -1). The spin g factor (g_s = -2) of the electron is predicted by the Dirac’s equation. The orbit g factors of electron, muon and tau are g_L = g_EC = -1 from the EC g factor (g_EC = -1) without the contribution of the LC g factor (g_LC = -1). The spin g factors of the elementary fermions are calculated from the equation of g_s = g_EC + g_LC + g_CC where g_EC = EC/|EC|, g_LC = LC/|LC| and g_CC = CC/|CC|. For example, the spin g factors of the neutrinos and dark matters are g_s = -1. The spin g factors of the u and d quarks are g_s = 0 and g_s = -2, respectively. The g factor problem of neutrinos with the non-zero LC charges are solved by the LC Coulomb force of F_c(LC) ≈0. It is, for the first time, proposed that the binary motion (fluctuations) of the m_EC and m_LC masses for the electron, muon and tau leptons make the anomalous g factor. This binary motion could be originated from the virtual particle processes including the photons. Also, the weak force (beta) decay is closely related to the binary motion of the m_EC and m_LC for the electron, muon and tau leptons.

Diarylethene is a prototypical molecular switch that can be reversibly photoisomerized between its open and closed forms. Ligands bpy-DAE-bpy, consisting of a phenyl-diarylethene-phenyl (DAE) central core and bipyridine (bpy) terminal substituents, are able to self-organize. They are investigated by scanning tunneling microscopy at the solid-liquid interface. Upon light irradiation, cooperative photochromic switching of the ligands is recognized down to the sub-molecular level. The closed isomers show different electron density of states (DOS) contrasts, attributed to the HOMO or LUMO molecular orbitals observed. More importantly, the LUMO images show remarkable differences between the open and closed isomers, attributed to combined topographic and electronic contrasts mainly on the DAE moieties. The electronic contrasts from multiple HOMO or LUMO distributions, combined with topographic distortion of the open or closed DAE, are interpreted by density functional theory (DFT) calculations.

Low temperature dielectric property of charge/orbital ordered manganite, Pr1-xCaxMnO3 for 0.40≤x≤0.50 is investigated systematically as a function of Ca-content, x. The Ca-content dependence of dielectric permittivity and dissipation factor exhibit distinct maxima around x=0.45. The overall dielectric response of charge ordered Pr1-xCaxMnO3 is dominated by polarization induced by polaron hopping and exhibits thermally activated relaxation behaviour. The dielectric relaxation behaviour over the investigated temperature range is analysed with the help of small polaron hopping model and as well as variable range hopping model. The estimated polaron parameters also display non-monotonic variation with x and exhibit broad minima between x=0.425-0.45. The observed results suggest that a modulation of checker board type charge ordering pattern in Pr1-xCaxMnO3 is possibly taking place in the Ca-content range of investigation 0.40≤x≤0.50.

In this study, we propose a solution process for realizing color glass for building integrated pho-tovoltaic (BIPV) systems by spin coating a color solution composed of a pearlescent pigment mixed in a norland optical adhesive (NOA) matrix. Color solutions are made from mixing pearlescent pigments in NOA63. Compared to a physical vapor deposition process, color coatings are achieved by spin coating in a relatively simple and inexpensive process at room temperature. The optical properties can be easily controlled by adjusting the spin coating speed and the concentra-tion of the pearlescent pigments. The produced color glasses achieved a high transmittance of 85% or more in the visible wavelength range, except the wavelength spectrum exhibiting the maxi-mum reflectance. In addition, we propose a one-step lamination process of color glass on a solar cell by leveraging on the adhesive property of the NOA matrix. This eliminates the cost and pro-cess of additional ethylene vinyl acetate (EVA) layer or other materials used in the conventional lamination process. The color glass produced through this study has stability that does not change its properties over time. Therefore, it is expected to be applied to the BIPV solar module market where aesthetics and energy efficiency are required.

This study reports a computational investigation on the antioxidant activity of five plant food benzoic acid derivatives, namely gallic acid (GA), para-hydroxybenzoic acid (PHBA), protocatechuic acid (PCA), syringic acid (SA), and vanillic acid (VA). Based on computed thermodynamics parameters, a detailed comparative debate is developed concerning their free radical scavenging activity in the gas phase and polar solutions (in water and methanol solvents). This discussion goes on to elucidate both the most preferred mechanism and the order of antioxidant activity for these molecules in each environment. Paradoxically, calculations using the harmonic oscillator model of aromaticity (HOMA) suggest that H abstraction radicals gain in stability as the central benzene ring loses in structural aromaticity. Finally, spin densities and fukui function f⁰ seem to be good indicators of the local reactivity of these compounds towards free radicals.

The article analyzes existing materials and structures with quadratic-nonlinear optical properties that can be used to generate a difference frequency in the terahertz and sub-terahertz frequency ranges. The principle of constructing a nonlinear optical-radio converter, based on an optical focon (a focusing cone), is proposed. Based on the assumption that this focon can be implemented from the metal-organic framework (MOF), we propose a technique for modeling its parameters. The mathematical model of the process of propagation and nonlinear interaction of waves inside the focon is based on a simplification of the nonlinear wave equation. Within the framework of the developed model, the following parameters are approximately determined: the 3D gradient of the linear refractive index and the function determining the geometric profile of the focon, which provide a few-mode-based generation of the difference frequency.

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.

A structure-based view on mesons is given, based upon the concept of an archetype quark, described as a pointlike source producing an energy flux, the spatial description of which is derived from Dirac’s second dipole moment. This enables to conceive the archetype meson (pion) as a structure that behaves as a one-body anharmonic quantum mechanical oscillator. All mesons appear being excitations of the archetype, thereby allowing a calculation of the mass spectrum without the use of empirical parameters for the masses of the quark flavors. This includes a physically comprehensible analysis of the spin-spin interaction between quarks. It also provides a solution for the eta-etaprime puzzle. Next to this, it is shown that quite some particles that are presently regarded as elementary, have a common root and can be traced back to a few archetypes only.

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.

Space-time evolution is briefly explained by using the 3-dimensional quantized space model (TQSM) based on the 4-dimensional (4-D) Euclidean space. The energy (E=cDtDV), charges (|q|= cDt) and absolute time (ct) are newly defined based on the 4-D Euclidean space. The big bang is understood by the space-time evolution of the 4-D Euclidean space but not by the sudden 4-D Minkowski space-time creation. The big bang process created the matter universe with the positive energy and the partner anti-matter universe with the negative energy from the CPT symmetry. Our universe is the matter universe with the negative charges of electric charge (EC), lepton charge (LC) and color charge (CC). This first universe is made of three dark matter -, lepton -, and quark - primary black holes with the huge negative charges which cause the Coulomb repulsive forces much bigger than the gravitational forces. The huge Coulomb forces induce the inflation of the primary black holes, that decay to the super-massive black holes. The dark matter super-massive black holes surrounded by the normal matters and dark matters make the galaxies and galaxy clusters. The spiral arms of galaxies are closely related to the decay of the 3-D charged normal matter black holes to the 1-D charged normal matter black holes. The elementary leptons and quarks are created by the decay of the normal matter charged black holes, that is caused by the Coulomb forces much stronger than the gravitational forces. The Coulomb forces are very weak with the very small Coulomb constants (k₁(EC) = k_dd(EC) ) for the dark matters and very strong with the very big Coulomb constants (k₂(EC) = k_nn(EC)) for the normal matters because of the non-communication of the photons between the dark matters and normal matters. The photons are charge dependent and mass independent. But the dark matters and normal matters have the similar and very weak gravitational forces because of the communication of the gravitons between the dark matters and normal matters. The gravitons are charge independent and mass dependent. Note that the three kinds of charges (EC, LC and CC) and one kind of mass (m) exist in our matter universe. The dark matters, leptons and quarks have the charge configurations of (EC), (EC,LC) and (EC,LC,CC), respectively. Partial masses of elementary fermions are calculated, and the proton spin crisis is explained. The charged black holes are not the singularities.

An analysis of the consistency of the Abraham and Minkowski momenta in the determination of the photon trajectory was carried out considering a new principle of conservation of the photon's mechanical energy, in which the photon conserves translational energy in orbital angular momentum when transiting between two media, introducing the relativistic energy wave (REW). The confrontation between REW and the recent theory of space-time waves (ST) was considered, pondering your differences. Throughout this study it was possible to verify that the Abraham momentum appears a relativistic photon ignition device in the transition between two media, acting as the hidden momentum of the Minkowski’s relativistic momentum. The wavy behavior in the matter is relativistic, and the relativistic trajectory appears with delays and advances, with points of synchronization between source-observer. The classical or relativistic trajectories are determined as a function of the angle of incidence and the relative refractive index, by one of two distinct non-additive torques, the classic by Abraham or the relativistic by Minkowski. It was found that the same analysis conducted under the principle of conservation of the mechanical energy of the photon can be treated by an new Doppler, Relativistic Apparent, that can be confused with other Dopplers in the treatment of redshift from distant sources. It was found that the conservation of energy in Orbital Angular Momentum (OAM), in the interaction with matter, explains that the synchronization instants are found in the inversion of the OAM, where the advances and delays of REW occur under negligible variations of the OAM, however, opposites.

In this article, we show theoretically and experimentally the formation of spin-waves band gaps in a magnonic crystal that was implemented by the deposition of periodic micro-structured strips of magnetite nanoparticles. A theoretical model describing the spectra of the transmitted spin-waves bandgaps is proposed. This is achieved using a simple model based on microwave transmission line theory and considering the presence of micro-structured strips of magnetite nanoparticles on the surface. Such magnonic crystal of equally spaced micro-structured strips of magnetite nanoparticles on the surface of an yttrium iron garnet thin film has been implemented and measured. The periodic micro-structured nanoparticles are deposited on the surface of such yttrium iron garnet single-crystal film grown on a gallium-gadolinium garnet substrate via dip-coating technique. Propagation of magnetostatic surface spin-waves is studied and it is shown that the presence of such periodic structure leads to the formation of spin-wave band gaps in the transmission characteristics. The spin-wave detection has been carried out using a pair of microwave antennas and a vector network analyzer. The results show that the periodic structure formed by the magnetite strips modifies the spectra of the transmitted spin waves producing band gaps.

Atomic state preparation can benefit from a compact and uniform magnetic field source. Simulations and experimental measurements have been used to design, build, and test such a source as shown by optical pumping of atomic Helium. This source is a 9.5 mm (3/8") OD x 6.7 mm (1/4") ID x 9.5 mm (3/8") long, NdFeB-N42 assembly of 1.6 mm (1/16") thick customized annular magnets. It has octopole decay with a residual dipole far field from imperfect dipole cancelations. It has greater than 50% clear aperture with uniform and collimated magnetic field consistent with the prediction of several models. Octopole roll-off localizes the field minimizing the need for shielding in applications. The device is applied to a high precision 3,4He laser spectroscopy experiment using σ+ or σ- optical pumping currently resulting in a measured 99.3% preparation efficiency and in accordance with a rate-equation model.

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.

The X-ray induced spin crossover transition of an Fe(II) molecular thin film in the presence and absence of a magnetic field has been investigated. The thermal activation energy barrier in the soft X-ray activation of the spin crossover transition for [Fe{H2B(pz)2}2(bipy)] molecular thin films is reduced in the presence of an applied magnetic field, as measured through X-ray absorption spectroscopy at various temperatures. The influence of a 1.8 T magnetic field is sufficient to cause deviations from the expected exponential spin state transition behavior that is measured in the field free case. We find that orbital moment diminishes with increasing temperature, relative to the spin moment in the vicinity of room temperature.

We demonstrate, in the context of Loop Quantum Gravity, the Quantum Holographic Principle, according to which the area of the boundary surface enclosing a region of space encodes a qubit per Planck unit. To this aim, we introduce fermion fields in the bulk, whose boundary surface is the two-dimensional sphere. The doubling of the fermionic degrees of freedom and the use of the Bogoliubov transformations lead to pairs of spin network’s edges piercing the boundary surface with double punctures, giving rise to pixels of area encoding a qubit. The proof is also valid in the case of a fuzzy sphere.

For the better part of a century researchers across disciplines have sought to explain the crystallography of the elemental transition metals: hexagonal close packed, body centered cubic, and face centered cubic in a form similar to that used to rationalize the structure of organic molecules and inorganic complexes. Pauling himself tried with limited success to address the origins of transition metal stability. These early investigators were handicapped, however, by incomplete knowledge regarding the structure of metallic charge density. Here we exploit modern approaches to charge analysis to first comprehensively describe transition metal charge density. Then, we use topological partitioning and quantum mechanically rigorous treatments of kinetic energy to account for the structure of the density as arising from the interactions between metallic tetrahedra. We argue that the crystallography of the early transition metals results from charge transfer from the so called “octahedral” to “tetrahedral holes” while the face centered cubic structure of the late transition metals is a consequence of antibonding interactions that increase octahedral hole kinetic energy.

Pure orbital blowout fractures occur within the confines of the internal orbital wall. Restoration of orbital form and volume is paramount to prevent functional and esthetic impairment. The anatomical peculiarity of the orbit has encouraged surgeons to develop implants with customized features to restore its architecture. This has resulted in worldwide clinical demand for patient-specific implants (PSIs) designed to fit precisely in the patient's unique anatomy. Fused filament fabrication (FFF) three-dimensional (3D) printing technology has enabled the fabrication of implant-grade polymers such as Polyetheretherketone (PEEK), paving the way for a more sophisticated generation of biomaterials. This study evaluates the FFF 3D printed PEEK orbital mesh customized implants with a metric considering the relevant design, biomechanical, and morphological parameters. The performance of the implants is studied as a function of varying thicknesses and porous design constructs through a finite element (FE) based computational model and a decision matrix based statistical approach. The maximum stress values achieved in our results predict the high durability of the implants, and the maximum deformation values were under one-tenth of a millimeter (mm) domain in all the implant profile configurations. The circular patterned implant (0.9 mm) had the best performance score. The study demonstrates that compounding multi-design computational analysis with 3D printing can be beneficial for the optimal restoration of the orbital floor.

Studying the two famous old problems that why the moon can move around the Sun and why the orbit of the Moon around the Earth cannot be broken off by the Sun under the condition that calculating with F=GMm/R^2, the attractive force of the Sun on the Moon is almost 2.2 times that of the Earth. We found that the planet and moon are unified as one single gravitational unit which results in that the Sun cannot have the force of F=GMm/R^2 on the moon. The moon is moved by the gravitational unit orbiting around the Sun. It could indicate that the gravitational field of the moon is limited inside the unit and the gravitational fields of both the planet and moon is unified as one single field interacting with the Sun. The findings are further clarified by reestablishing Newton’s repulsive gravity.

The recent Planck Legacy release confirmed the existence of an enhanced lensing amplitude in the cosmic microwave background (CMB) power spectra, which endorses the positive curvature of the early Universe with a confidence level exceeding 99%. In this study, the pre-existing curvature is incorporated to extend the field equations where the derived wave function of the Universe is utilized to model Universe evolution with reference to the scale factor of the early Universe and its radius of curvature upon the emission of the CMB. The wave function reveals both positive and negative solutions, implying that matter and antimatter of early Universe plasma evolve in opposite directions as distinct Universe sides. The wave function indicates that a nascent hyperbolic expansion is followed by a first phase of decelerating expansion away from early plasma during the first 10 Gyr, and then, a second phase of accelerating expansion in reverse directions, whereby both Universe sides free-fall towards each other under gravitational acceleration. Simulations of the predicted conformal curvature evolution demonstrate the fast orbital speed of outer stars owing to the external fields exerted on galaxies as they travel through conformally curved space-time. Finally, the wave function predicts an eventual time-reversal phase comprising rapid spatial contraction that culminates in a Big Crunch, signalling a cyclic Universe. These findings reveal that early plasma could have separated and evolved into distinct sides that collectively and geometrically influencing the Universe evolution, physically explanting the effects attributed to dark matter and energy.

Based on measured astronomical position data of heavenly objects in the Solar System and other planetary systems, all bodies in space seem to move in some kind of elliptical motion with respect to each other. According to Kepler’s 1^st Law, “orbit of a planet with respect to the Sun is an ellipse, with the Sun at one of the two foci.” Orbit of the Moon with respect to Earth is also distinctly elliptical, but this ellipse has a varying eccentricity as the Moon comes closer to and goes farther away from the Earth in a harmonic style along a full cycle of this ellipse. In this paper, our research results are summarized, where it is first mathematically shown that the “distance between points around any two different circles in three dimensional space” is equivalent to the “distance of points around a vector ellipse to another fixed or moving point, as in two dimensional space”. What is done is equivalent to showing that bodies moving on two different circular orbits in space vector wise behave as if moving on an elliptical path with respect to each other, and virtually seeing each other as positioned at an instantaneously stationary point in space on their relative ecliptic plane, whether they are moving with the same angular velocity, or different but fixed angular velocities, or even with different and changing angular velocities with respect to their own centers of revolution. This mathematical revelation has the potential to lead to far reaching discoveries in physics, enabling more insight into forces of nature, with a formulation of a new fundamental model regarding the motions of bodies in the Universe, including the Sun, Planets, and Satellites in the Solar System and elsewhere, as well as at particle and subatomic level. Based on the demonstrated mathematical analysis, as they exhibit almost fixed elliptic orbits relative to one another over time, the assertion is made that the Sun, the Earth, and the Moon must each be revolving in their individual circular orbits of revolution in space. With this expectation, individual orbital parameters of the Sun, the Earth, and the Moon are calculated based on observed Earth to Sun and Earth to Moon distance data, also using analytical methods developed as part of this research to an approximation. This calculation and analysis process have revealed additional results aligned with observation, and this also supports our assertion that the Sun, the Earth, and the Moon must actually be revolving in individual circular orbits.

Based on measured astronomical position data of heavenly objects in the Solar System and other planetary systems, all bodies in space seem to move in some kind of elliptical motion with respect to each other, whereas objects follow parabolic escape orbits while moving away from Earth and bodies asserting a gravitational pull, and some comets move in near-hyperbolic orbits when they approach the Sun. In this article, it is first mathematically proven that the “distance between points on any two different circles in three-dimensional space” is equivalent to the “distance of points on a vector ellipse from another fixed or moving point, as in two-dimensional space.” Then, it is further mathematically demonstrated that “distance between points on any two different circles in any number of multiple dimensions” is equivalent to “distance of points on a vector ellipse from another fixed or moving point”. Finally, two special cases when the “distance between points on two different circles in multi-dimensional space” become mathematically equivalent to distances in “parabolic” or “near-hyperbolic” trajectories are investigated. Concepts of “vector ellipse”, “vector hyperbola”, and “vector parabola” are also mathematically defined. The mathematical basis derived in this Article is utilized in the book “Everyhing Is A Circle: A New Model For Orbits Of Bodies In The Universe” in asserting a new Circular Orbital Model for moving bodies in the Universe, leading to further insights in Astrophysics.

Reactions of Fe(II) with the tris-(pyridin-2-yl)ethoxymethane (py3C-OEt) tripodal ligand in presence of the pseudohalide ancillary NCE- (E = S, Se, BH3) ligands led to a series of three mononuclear complexes formulated as [Fe(py3C-OEt)2][Fe(py3C-OEt)(NCE)3]2·2CH3CN, with E = S (1), BH3 (2) and Se (3). Single crystal characterizations (complexes 1-2) and X-ray powder diffraction (complexes 1-3) reveal monomeric isomorph structures formed by the spin crossover (SCO) anionic [Fe(py3C-OEt)(NCE)3] complex, associated with the low spin (LS) cationic [Fe(py3C-OEt)2]2+ complex and two solvent acetonitrile molecules. In the [Fe(py3C-OEt)2]2+ cation, the Fe(II) is coordinated by two py3C-OEt tridentate ligands, while the [Fe(py3C-OEt)(NCE)3] anion displays a hexacoordinated environment involving three N-donor atoms of one py3C-OEt ligand and three nitrogen atoms arising from of the three (NCE) coligands. The magnetic studies show the presence of gradual SCO behavior for the three complexes: a one-step transition around 205 K for 1 and two step-transitions for compounds 2 and 3, centred at 245 K and 380 K for 2, and at 170 K and 298 K for 3. The magnetic behaviors of complexes 1 and 2 remain unchanged when heating up to 500 K, while complex 3 shows significant changes which are caused by the crystallisation solvent loss above room temperature.

The apparent shape of the black hole shadow provides a full description of the spin, the inclination angle and the charge of a Kerr black hole, without any astrophysical process or underlying theory in the astrophysical process.

We present an overview over eight brightly luminescent Cu(I) dimers of the type Cu2X2(PN)3 with X = Cl, Br, I and P^N = 2-diphenylphosphino-pyridine (Ph2Ppy), 2-diphenylphosphino-pyrimidine (Ph2Ppym), 1-diphenylphosphino-isoquinoline (Ph2Piqn) including three new crystal structures (Cu2Br2(Ph2Ppy)3, 1-Br, Cu2I2(Ph2Ppym)3, 2-I, and Cu2I2(Ph2Piqn)3, 3-I). However, we mainly focus on their photo-luminescence properties. All compounds exhibit combined thermally activated delayed fluorescence (TADF) and phosphorescence at ambient temperature. Emission color, decay time, and quantum yield varies over large ranges. For deeper characterization, we select Cu2I2(Ph2Ppy)3, 1-I, showing a quantum yield of 81 %. DFT and SOC-TDDFT calculations provide insight into the electronic structures of the singlet S1 and triplet T1 states. Both stem from metal+iodide-to-ligand charge transfer transitions. Evaluation of the emission decay dynamics, measured from 1.2 ≤ T ≤ 300 K, gives ∆E(S1-T1) = 380 cm-1 (47 meV), a transition rate of k(S1→S0) = 2.25×106 s-1 (445 ns), T1 zero-field splittings, transition rates from the triplet substates, and spin-lattice relaxation times. We also discuss the interplay of S1-TADF and T1-phosphorescence. The combined emission paths shorten the overall decay time. For OLED applications, utilization of both singlet and triplet harvesting can be highly favorable for improvement of the device performance.

There has been observational evidence about spin axes of quasars in large quasar groups correlated over hundreds of Mpc. This is seen in the radio spectrum as well as in the optical range. There is not yet a satisfactory explanation of this "spooky" alignment. This alignment cannot be explained by mutual interaction at the time that quasars manifest themselves optically. A cosmological explanation could be possible in the formation of superconducting vortices (cosmic strings) in the early universe, just after the symmetry-breaking phase of the universe. We gathered from the NASA/IPAC and SIMBAD extragalactic databases the right ascension, declination, inclination, position angle and eccentricity of the host galaxies of 3 large quasar groups to obtain the azimuthal and polar angle of the spin vectors. The alignment of the azimuthal angle of the spin vectors of quasars in their host galaxy is confirmed in the large quasar group U1.27 and compared with two other groups in the vicinity, i.e., U1.11 and U1.28. It is well possible that the azimuthal angle alignment fits the predicted azimuthal angle dependency in the theoretical model of the formation of general relativistic superconducting vortices, where the initial axially symmetry is broken just after the symmetry breaking of the scalar-gauge field.} \keyword{quasar groups; alignment spin vectors; host galaxy; cosmic strings; symmetry breaking; scalar-gauge field.

Formulating a relativistic equation for particles with arbitrary spin remains an open challenge in theoretical physics. In this study, the main algebraic approaches used to generalize the Dirac and Kemmer–Duffin equations for particles of arbitrary spin are investigated. It is proved that an irreducible relativistic equation formulated using spin matrices satisfying the commutation relations of the de Sitter group leads to inconsistent results, mainly as a consequence of violation of unitarity and the appearance of a mass spectrum that does not reflect the physical reality of elementary particles. However, the introduction of subsidiary conditions resolves the problem of unitarity and restores the physical meaning of the mass spectrum. The equations obtained by these approaches are solved and the physical nature of the solutions is discussed.

Infection of hosts by morbilliviruses is facilitated by the interaction between viral hemagglutinin (H-protein) and the signaling lymphocytic activation molecule (SLAM). Recently, the functional importance of the N-terminal region of human SLAM as a measles virus receptor was demonstrated. However, the functional roles of this region in the infection process by other morbilliviruses and host range determination remain unknown partly because this region is highly flexible, which has hampered accurate structure determination of this region by X-ray crystallography. In this study, we analyzed the interaction between the H-protein from canine distemper virus (CDV-H) and SLAMs by a computational chemistry approach. Molecular dynamics simulations and fragment molecular orbital analysis demonstrated that the unique His28 in the N-terminal region of SLAM from Macaca is a key determinant that enables formation of a stable interaction with CDV-H, providing a basis for CDV infection in Macaca. The computational chemistry approach presented should enable determination of molecular interactions involving regions of proteins that are difficult to predict from crystal structures because of their high flexibility.

Complex systems can be described as the network of interactions between their components. In directed networks, information, energy and matter flow in dominant directions. Undirected networks, on the other hand, cannot easily capture these asymmetries. The local flow of information depends on the node spin, which is a function of the number of incoming and outgoing links attached to it. And yet, how the heterogeneous association between in-degree and out-degree constraints global dynamics remains poorly understood. Here, we develop a new theoretical model to study the relationship between node directionality and global flow dynamics. Our computational analysis of random and scale-free directed networks indicates that structural diversity constrains the dimensionality of reachable dynamical space. These results suggest how local directionality might be an universal driver of global dynamics in many systems, from social networks, to technological systems to the connectome.

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.