We discuss in detail a well known method for obtaining the frequencies of the normal modes of coupled harmonic oscillators that is based on the simultaneous diagonalization of two symmetric matrices. We apply it to some simple illustrative examples recently chosen for the presentation of an alternative approach based on a set of constants of the motion. We show that the traditional method is simpler, even in the case of equal frequencies. We also discuss a problem that commonly appears in elementary courses on quantum mechanics that also requires the diagonalization of two symmetric matrices.

The molten salt reactor (MSR) specific 3D spatial dynamics code leveraging the neutronics and thermal-hydraulics (TH) coupling method, TMSR3D, has been extended for static and transient analysis of large advanced light water reactors (LWRs), particularly focusing on control rod ejection accidents. The code is built upon the neutron diffusion model leveraging the widely used "two-step" strategy in three-dimensional Cartesian coordinates. A polynomial nodal expansion method (NEM) is utilized to handle spatial variables, while the neutron kinetics solver employs the exponential transformation technique. The code also integrates a single-channel TH module and a steam table set at 15.5 Mpa. The accuracy of the code has been validated through three transient benchmarks, including the 3D-LRA benchmark for boiling water reactors (BWRs), the NEACRP 3D benchmark, and the MOX/UO2 core benchmark for pressurized water reactors (PWRs). These benchmarks cover both static and transient behaviors, and the results have been thoroughly analyzed. The close alignment of extended version of TMSR3D outcomes with reference data and other codes supports its reliability, making it a promising tool for future dynamic analyses of large-scale advanced PWRs.

In this paper, we introduce a compressible formulation for dealing with 2D/3D compressible interfacial flows. The formulation is combined with an original monolithic solver, according to which a strong velocity-pressure coupling is achieved. The results show that the scheme can ensure accuracy and stability for various fluid flow scenarios: from the standard incompressible conditions to compressible flows, spanning both single-phase and two-phase flows.

The influence of the ligands in coupled organic-inorganic nanostructures (COINs) on the performance of optoelectronic devices is investigated. We fabricated photodiodes based on pentacene and PbS nanocrystals coupled to organic ligands like 1,2-ethanedithiol (EDT) and tetrabutylammonium iodide (TBAI) and a combination of both, EDT and TBAI, as a heterostructure. These ligands were first separately used to fabricate single ligand-type of organic-inorganic devices and later compared with a heterostructure of PbS-EDT and PbS-TBAI. To tune the optical energy gap of COINs to align with the triplet level of pentacene, it was necessary to choose a suitable particle size. For this purpose, ultraviolet photo-emission spectroscopy (UPS) was used to determine the energy of the highest occupied molecular orbital (HOMO) and the work function of COINs, while the energy of the lowest unoccupied molecular orbital (LUMO) of COINs was estimated subsequently by adding the exciton binding energy and the optical band gap to the measured HOMO energy. Devices with heterostructure COINs achieve a higher short circuit current than COINs with a single type of the ligands. Finally, even if the requirements of proper energy level alignment are satisfied, the photodiodes' performance was affected by the morphology of COINs. This finding has been demonstrated by atomic force microscopy (AFM) and transmission electron microscopy (TEM). Incident photon to current efficiency (IPCE) shows a shift for the excitonic absorption peaks in the visible range at opposite applied voltages. The IPCE signal for the double heterostructure device is higher than the single type device.

The ability to control the flow of quantum information deterministically is useful for scaling up quantum computation. In this paper, we demonstrate a controllable quantum switchboard which directs the teleportation protocol to one of two targets, fully dependent on the sender’s choice. The quantum switchboard additionally acts as a optimal quantum cloning machine. We also provide a physical implementation of the proposal using a coupled-cavity array. The proposed switchboard can be utilized for the efficient routing of quantum information in a large quantum network.

In power systems there are complex transformer structures, whose accurate analysis is not possible using the techniques available today. This paper presents a systematic data driven analysis method for coupled inductors of arbitrary complexity. The method first establishes a winding matrix N mapping the windings to the limbs of the transformer. A permeance matrix P is created from the reluctance network of the magnetic core. A generalized inductance matrix L mapping currents in the transformer windings to the induced voltages is generated based on the winding (N) and permeance (P) matrices. The inductance matrix representation of a coupled inductor is then transformed to an admittance matrix, which can be integrated to the nodal analysis of the electrical circuit surrounding the coupled inductor. The method presented is validated by simulations with real transformer structures using electromagnetic transient program (EMTP/ATP).

Based on the panel data from 31 provinces in China from 2012 to 2020, this paper uses the TOPSIS method to measure the development level of the digital economy and environmental quality. Then, a coupled coordination degree model is used to analyse the relationship between the digital economy and environmental quality. Kernel density estimation and the Dagum Gini coefficient method were used to reveal the dynamic evolution trend of the coupled coordination level between the digital economy and environmental quality and the regional trends of coupled indicators. Finally, the dynamics of the above relations were explored with an econometric model. The results show that the coupled coordination degree of the digital economy and environmental quality displays obvious regional heterogeneity, and the national coordination level exhibits dynamic convergence characteristics. The heterogeneity of the coupled coordination degree of the two systems in the eastern region has decreased year by year, except in the western region, the central region and the northeast region, where an upwards trend is observed. Overall, the Gini coefficient of the coupled coordination degree between the digital economy and environmental quality displays a certain downwards trend. The level of economic development, technological innovation level, industrial structure, degree of opening to the outside world, degree of environmental regulation, marketization index and financial development level have a positive influence on the coupled coordination of the digital economy and environmental quality. Environmental regulation is the core driver of the coupling of the two systems, and the economic development level, technological innovation level, industrial structure and degree of openness are the other major drivers. Therefore, in the processes of digital economy transformation and environmental governance, all regions should focus on balanced development between regions to optimize the overall efficiency of the two systems, consider external influence, enhance internal capabilities, and promote the coordination and co-development of the two systems.

A closed chain of oscillators can be considered as a model of ring-shaped ecosystems, such as atolls or coastal zones of inland reservoirs. As an oscillator model, we use the logistic map that often referred to as an archetypical example of how complex dynamics can arise from very simple nonlinear equations. We investigate the influence of the model parameters both on the nature of oscillations in the oscillator ring and on the spatial structures that arise in this case. Namely, we demonstrate a variety of emerging spatial structures depending on the initial conditions.

In this study, we reported that novel single-chain fusion-proteins linked thromboxane A2 (TXA2) receptor (TP) to a selected G-protein α-subunit q (SC-TP-Gαq), or s (SC-TP-Gαs) could be stably expressed in megakaryocytes (MK). We tested the MK-released platelet-linked particles (PLPs) to be used as a vehicle to deliver the over-expressed SC-TP-Gαq), or s (SC-TP-Gαs) to regulate human platelet function. To understand how the single-chain TP-Gα fusion proteins could regulate opposite platelet activities by an identical ligand TXA2, we used dual-binding domains linked to different signaling pathways within a single polypeptide chain using a 3D structural model. The immature MKs were cultured and transfected with cDNAs constructed from structural models of the individual SC-TP-Gαq and SC-TP-Gαs, respectively. After transient expression was identified, the immature MKs stably expressing SC-TP-Gαq or SC-TP-Gαs (stable cell lines) were selected. The stable cell lines were induced into mature MKs which released PLPs. Western blot analysis confirmed that the released PLPs were carrying the recombinant SC-TP-Gαq or SC-TP-Gαs. Flow cytometry analysis showed the PLPs carrying SC-TP-Gαq were able to perform the activity by promoting platelet aggregation. In contrast, PLPs carrying SC-TP-Gαs reversed Gq to Gs signaling to inhibit platelet aggregation. This is the first time demonstrating that SC-TP-Gαq and SC-TP-Gαs were successfully overexpressed in MK cells and released as PLPs with proper folding. This bio-engineering led to the formation of two sets of biologically active PLP forms, which mediate calcium and cAMP signaling, respectively. As a result, these PLPs are able to bind to identical endogenous TXA2 with opposite activities, inhibiting and promoting platelet aggregation as required for therapeutic process.The results also demonstrated the nucleus-free PLPs could be used to deliver recombinant membrane-bound GPCRs to regulate cellular activity in general.

Phase synchronization of weakly coupled limit cycle oscillators are related to the stability of the zero solution of the reduced-order dynamics of phase differences, represented by a systems of differential equations on a hypertorus. Using Rantzer's density function, a dual form of Lyapunov function, we propose a method to certify almost global stability of an equilibrium on a hypertorus. We show that the proposed method can certify robustness of phase synchronization of all-to-all and weakly coupled limit cycle oscillators with respect to disturbances in phases. The method leverages sum of squares polynomial optimization to construct the certification function.

In this research paper, a novel high step up dc-dc converter with a coupled inductor and voltage doubler circuits is proposed. The converter achieves a high step up voltage gain with an appropriate duty ratio and low voltage stress on the power switches. Also, the energy which is stored in the leakage inductor of the coupled inductor can be recycled to the output. The operating principles and the steady state analysis of the proposed converter are discussed in detail. Finally, a prototype circuit of the proposed converter is implemented in the laboratory in order to verify the performance of the proposed converter.

In this article, a novel hybrid welding process called plasma-TIG coupled arc welding was proposed to improve the efficiency and quality of welding by utilizing the full advantage of plasma and TIG welding processes. The two arcs of plasma and TIG were pulled into each other into one coupled arc under the effect of Lorentz force and plasma flow force during welding experiments. The arc behavior of coupled arc was studied by means of it’s arc profile, arc pressure and arc force conditions. The coupled arc pressure distribution measurements were performed. The effects of welding conditions on coupled arc pressure were evaluated and the maximum coupled arc pressure was improved compared with single-plasma arc and single-TIG arc. It was found that the maximum arc pressure was mainly determined by plasma arc current and plasma gas flow. According to the results, the proposed coupled arc welding process have both advantages of plasma arc and TIG method, and it has a broad application prospect.

Discrete-time architectures offer a distinct advantage over their continuous counterparts, as they can be seamlessly implemented on embedded hardware without the necessity for discretization processes. Yet, because of the difficulty of ensuring Lyapunov difference expressions, their designs, which are based on quadratic Lyapunov-based frameworks, are highly complex. As a result, various existing continuous-time results using adaptive control methods to deal with system uncertainties and coupled dynamics in agents of a multiagent system cannot be directly applied to the discrete-time context. Furthermore, compared to their continuous-time equivalent, discrete-time information exchange based on periodic time intervals is more practical in the control of multiagent systems. In this paper, we first introduce a discrete-time adaptive control architecture designed for uncertain scalar multiagent systems without coupled dynamics as a preliminary result. We then introduce another discrete-time adaptive control approach for uncertain multiagent systems in the presence of coupled dynamics. Our approach incorporates observer dynamics to manage unmeasurable coupled dynamics, along with a user-assigned Laplacian matrix to induce cooperative behaviors among multiple agents. Our solution includes Lyapunov analysis with logarithmic and quadratic Lyapunov functions for guaranteeing asymptotic stability with both controllers. To demonstrate the effectiveness of the proposed control architectures, we provide an illustrative example.

The fault diagnosis of the gearbox is primarily based on the analysis of the harmonic response. However, the generation mechanism of the harmonic response of the gear pair is still not distinctly explained in a healthy gearbox. Therefore, this paper is dedicated to establishing a dynamic model of the gearbox for this issue. In this model, the contact force of the bearing and the meshing stiffness of the gear pair are determined by the Hertz theory and the potential energy method, then the shaft motion is used as the connection to establish the coupling relationship between the gear pair and the bearing. After this dynamic model is confirmed by experiments and existing models, the coupling relationship inside the gearbox and the harmonic response of the gear pair are studied using this model. The result demonstrates that a closed control loop is formed due to the vibration transmission between the gear pair, the bearing and the shaft, and there is a strong coupled vibration between the gear pair and the bearing in the gearbox. Due to the generation of the center distance error, misalignment angle and disorganized meshing process of the gear pair, the meshing stiffness is altered, which excites the harmonic response of the gear pair. When the speed of the gearbox is increased, although the vibration amplitude of the gearbox is increased, the system predominantly vibrates at the fundamental frequency, and the harmonic of the gear pair is also shifted to the low frequency band.

Emergence of multi drug resistant (MDR) and extensively drug resistant (XDR) Mycobacterium tuberculosis poses a serious threat to TB control as the available treatment options are less effective in these cases. Therefore, new strategies are required for identification of new drugs and drug targets. The M. tuberculosis dihydrodipicolinate synthase is a putative drug target with no potent inhibitor. Here in this study, we have used a comprehensive computational approach to identify small molecule inhibitors and validated them in vitro. As similar structures tend to have similar functions, therefore 3 approaches, namely, (a) known inhibitor-based approach, (b) substrate analogues, (c) product analogues were used for compound screening from various chemical libraries. The fourth approach we have taken is fragment library screening.In vitro studies revealed that β-hydroxypyruvic acid tartronic acid are inhibitors of Mtb-rDapA with maximum inhibition 48% and 51% at 500µM concentrations respectively. We have also observed that β-hydroxypyruvic acid is a time dependent inhibitor of Mtb-rDapA. Further, thermal shift assays showed that β-hydroxypyruvic acid interacts with Mtb-rDapA and the thermal stability of Mtb-rDapA shifted by 3˚C. Among the product analogues of Mtb-DapA, dipicolinic acid showed to bind to Mtb-rDapB shifting thermal stability of Mtb-rDapB by 0.5˚C in binding. Additionally, we have designed a new approach by combining substrate and product analogues to achieve better inhibitions. In vitro assays validated that this combination approach increased maximum inhibition up to 100%. We envision that these compounds would serve as potent leads for tuberculosis drug discovery.

DNA is frequently damaged by genotoxic stresses such as ionizing radiation, reactive oxygen species, and nitrogen species. DNA damage is a key contributor to cancer initiation and progression, and thus the precise and timely repair of these harmful lesions is required. Recent studies revealed transcription as a source of genome instability, and transcription-coupled DNA damage has been a focus in cancer research. Impaired mRNA export is closely related to DNA damage through R-loop formation. The molecular machineries of transcription-coupled DNA damage have been extensively analyzed in Saccharomyces cerevisiae. However, the molecular basis of these phenomena in higher eukaryotes remains elusive. In this review, we focus on the relationship between deregulated mRNA export, especially through the transcription-export-2 (TREX-2) complex, and cancer development. The expression of GANP, a key molecule in the TREX-2 complex, is highly associated with tumorigenesis in mouse and human. Additionally, we describe recent evidence for medical application that downregulation of the other components may be a good candidate for chemotherapeutic target in terms of reducing the side effects, although the involvement of R-loop is still ambiguous.

Magnesium monofluoride is a polar molecule amenable to laser cooling which has caused renewed interest in its spectroscopy. In this work we consider the case of three low-lying electronic excitations, namely $\rm X \, {}^{2}\Sigma \to A \, {}^{2}\Pi, \ \to B \, {}^{2}\Sigma, \ \to C \,{}^{2}\Sigma$, using well developed quantum chemistry approaches, i.e., without reference to the spin-orbit splitting of the $\rm A \, {}^{2}\Pi$ states. Accurate experimental data for these transitions have been available for over 50 years. Here we explore the linear response method at the level of CC2 theory, as well as equation of motion methods at the level of CCSD and CC3, using two families of basis sets. Excellent agreement is obtained for the first three transitions when using the correlation-consistent basis sets and extrapolation to the complete basis limit within EOM-CC3 (at a relative precision of $10^{-4}$), and qualitative agreement for the other two methods. The purpose of this paper is to serve as a guide in how to approach the accurate calculation of excitations in polar diatomic molecules.

Sustainable development advocates for an environmentally friendly and resource-saving approach, fostering a new quality of productivity that is green and sustainable, and achieving a sustainable development where the economy and the environment are in harmony. The paper is based on clarifying the effects of coordinated development between the economy and the environment, and by establishing an indicator system, applying a remote sensing ecological index, entropy weight method, gray relational degree model, and a coupling coordination model, the relationship of coordinated development of Ordos in 2016-2022 is analyzed from a spatial-temporal perspective. The results are as follows: ① The years of coordinated development between the ecological environment and the economy are in the majority, while the uncoordinated years are fewer. ② The level of coordinated development between the ecological environment and the economy in the various regions of Ordos has been increasing year by year, but it still remains at the barely coordinated and primary coordinated levels. ③ The types of coordinated development between the ecological environment and the economy in Ordos exhibit significant spatial differentiation in terms of spatial distribution and clustering.Therefore, it is necessary to formulate coordinated development policies and measures according to the constraining factors of different regions.

Most works related to the identification of mathematical nonlinear systems make one suppose that such approaches can always be directly applied to any nonlinear system. This misconception produces a great deal of discouragement when the obtained results are not the expected ones. Thus, the current work hypothesizes that the most information one has about the mathematical structure of the model, the most precise the identification result should be. Therefore, a variant of the Sparse Identification of Nonlinear Dynamics (SINDY) approach is presented to obtain the full mathematical nonlinear model of a high-order system with coupled dynamics, namely, a commercial quadcopter. Furthermore, due to its high sensitivity to inputs, a control system is devised using the identified model to stabilize the quadcopter. This illustrates the effectiveness of the proposed identification method.

A hybrid organic molecules as ligands and inorganic NCs in this research combines the chemical properties of organic semiconductors with the chemical stability of inor- ganic nanoparticles like PbS. It is possible to improve the ligand exchange and PbS-NCs' distribution by adding Amino phynel anchor group to TIPs-pentacene and Carboxylic anchor group to Tetraphenylporphyrin molecules. By adding anchor groups to one or two sides of these molecules, they would convert the molecules to ecient ligands to obtain superlattice coupled organic-inorganic nanostrcuture semicondcutor layers (COINs). Adding on side group would cap the PbS nanoparticles while adding two an- chor group would play a linker role between two PbS NCs. This morophology enhance- ment paves the way to manipulate the physical properties of the COINs and fabricate solar cells. Singlet ssion phenomena demonstrates pentacene molecule's advantage for high eciency in organic solar cells and its ability to overcome the Schockley-Queisser limit. Ultraviolet photo-emission spectroscopy (UPS) determines the highest occupied molecular orbital (HOMO) and the work function of COINs, while the lowest unoccu- pied molecular orbital (LUMO) of COINs were calculated subsequently by adding both the exciton binding energy and the optical band gap to the measured HOMO energy. The current versus voltage characteristics and impedance spectroscopy were studied for these molecules as well.

Adrenergic receptor β3 (ADRβ3) is a member of the rhodopsin-like G protein-coupled receptor family. The binding of the ligand to ADRβ3 activates adenylate cyclase and increases cAMP in the cells. ADRβ3 is highly expressed in white and brown adipocytes and controls key regulatory pathways of lipid metabolism. Trp64Arg (W64R) polymorphism in the ADRβ3 has been associated with the early development of type 2 diabetes mellitus, lower resting metabolic rate, abdominal obesity, and insulin resistance. It is unclear how the substitution of W64R affects the functioning of ADRβ3. This study was initiated to functionally characterize this obesity-linked variant of ADRβ3. We evaluated in detail the expression, subcellular distribution, and post-activation behavior of the WT and W64R ADRβ3 using a single cell quantitative fluorescence microscopy. When expressed in HEK 293 cells, ADRβ3 shows a typical distribution displayed by other GPCRs with a predominant localization at the cell surface. Unlike Adrenergic receptor β2 (ADRβ2), agonist induced desensitization of ADRβ3 does not involve loss of cell surface expression. WT and W64R variant of ADRβ3 displayed comparable biochemical properties and there was no significant impact of the substitution of Tryptophan with Arginine on the expression, cellular distribution, signaling, and post-activation behavior of ADRβ3. The obesity-linked W64R variant of ADRβ3 is indistinguishable from the WT ADRβ3 in terms of expression, cellular distribution, signaling, and post-activation behavior.

The paper is focused on numerical modeling of multi-strand cable lines placed in free air. Modeling is carried out within the framework of the so-called multi-physics approach using commercial software. The paper describes in detail the steps undertaken to develop realistic, reliable numerical models of power engineering cables, taking into account their geometries and heat exchange conditions. The results might be of interest to the designers of multi-strand cable systems.

Reliable information on transition matrix elements of various property operators between molecular electronic states is of crucial importance for predicting spectroscopic, electric, magnetic and radiative properties of molecules. The finite-field technique is a simple and rather accurate tool for evaluating transition matrix elements of first-order properties in the frames of the Fock space relativistic coupled cluster approach. We formulate and discuss the extension of this technique to the case of transitions between the electronic states associated with different sectors of the Fock space. Pilot applications to the evaluation of transition dipole moments between the closed-shell-like states (vacuum sector) and those dominated by single excitations of the Fermi vacuum (the $1h1p$ sector) in heavy atoms (Xe, Hg) and simple molecules of heavy element compounds (I${}_2$, TlF) are reported.

Power converters with coupled inductors are very promising due to the high efficiency and high voltage gain. Apart from the aforementioned advantages, the boost-flyback converter reduces the voltage stress on the semiconductors. However, to obtain good performance with high voltage gains, the controller must include two control loops (current and voltage), and a compensation ramp. One of the most used control techniques for power converters is the peak current-mode control with compensation ramp. However, in the case of a boost-flyback converter there is no mathematical expression in the literature, to compute the slope of the compensation ramp. In this paper, a formula to compute the slope of the compensation ramp is proposed in such a way that a stable period-1 orbit is obtained. This formula is based on the values of the circuit parameters, such as inductances, capacitances, input voltage, switching frequency and includes some assumptions related to internal resistances, output voltages, and some other electrical properties related with the physical construction of the circuit. The formula is verified numerically using the saltation matrix and experimentally using a test circuit.

In numerical simulations, achieving high accuracy without significantly increasing computational costs is often challenging. To address this, this paper presents an improved finite volume weighted essentially non-oscillatory (WENO) scheme tailored for applicability in computational fluid dynamics (CFD) and implemented in the flow solver NUAA-Turbo for simulating turbomachinery flows using both RANS and RANS/LES coupling. Firstly, the new WENO scheme is validated against classic numerical test cases to assess its stability and reliability in handling discontinuities, the Double problem, and Raleigh-Taylor (RT) instability issues. Compared to the original format, this enhanced finite volume WENO scheme demonstrates superior stability near discontinuities and resolves flow features with the same grid resolution more effectively. Next, for engineering applications related to turbomachinery, such as compressor and turbine characteristics, computations are performed using RANS, and the results obtained using WENO-ZQ3 and WENO-JS3 are compared. Finally, the new fifth-order WENO scheme is applied to RANS/LES coupled simulations of turbine wakes and film cooling. The results show that the enhanced finite volume WENO scheme offers improved stability and accuracy in engineering applications, allowing for high-precision calculations with fewer grid points to capture more detailed flow physics, thereby reducing computational costs in aerodynamic applications.

This paper describes the design and implementation of an ultrasonic non-contact air-coupled technique (UNCACT) using antisymmetric Lamb waves (ALW) for NDT assessment in novel composite sandwich plates of the car body shell. This technique is complemented with a C-Scan image implementation using this kind of guided waves. The finite element method using Comsol 6.1 is developed for the interpretation of the several wave modes presented in the experiments, including the ALW mode. The phase velocity method (PVM) is applied for the verification of the ALW mode in the portion of the RF signal necessary in the C-Scan image.

G protein-coupled receptors (GPCRs) are expressed essentially on all cells, facilitating cellular responses to external stimuli, and are involved in nearly every biological process. Several members of this family play significant roles in the regulation of adipogenesis and adipose me-tabolism. However, the expression and functional significance of a vast number of GPCRs in adipose tissue are unknown. We used a high-throughput RT-PCR panel to determine the expres-sion of the entire repertoire of non-sensory GPCRs in mouse white, and brown adipose tissue and assess changes in their expression during adipogenic differentiation of murine adipocyte cell line, 3T3-L1. In addition, the expression of GPCRs in subcutaneous adipose tissues from lean, obese, and diabetic human subjects was evaluated by re-analyzing RNA-sequencing data. We detected a total of 292 and 271 GPCRs in mouse white and brown adipose tissue, respectively. There is a significant overlap in the expression of GPCRs between the two adipose tissue depots but several GPCRs are specifically expressed in one of the two tissue types. Adipogenic differ-entiation of 3T3-L1 cells had a profound impact on the expression of several GPCRs. RNA se-quencing of subcutaneous adipose from healthy human subjects detected 255 GPCRs and obesity significantly changed the expression of several GPCRs in adipose tissue. Finally, we report sev-eral highly expressed GPCRs with no known role in adipose biology whose expression was sig-nificantly altered during adipogenic differentiation and/or in the diseased human subjects. These GPCRs could play an important role in adipose metabolism and serve as a valuable translational resource for obesity and metabolic research.

Abstract: It is assumed that upon SARS-CoV-2 infection granulocytes can undergo potentially destructive oxidative burst. Therefore, the aim of this study was to evaluate some parameters of redox and inflammatory signaling in granulocytes of recovered and of deceased COVID-19 pa-tients. Granulocytes were isolated from the blood of 32 COVID-19 patients on admission to the hospital (16 survived and 16 died within a week). The levels of proteins (immunoassay), eico-sanoids (UPLC-MS) and antioxidants activity (spectrophotometry) were examined. Enhanced activation of Nrf2 and NFκB and the levels of heme oxygenase and proinflammatory cytokines where found in granulocytes of all COVID-19 patients, while Cu,Zn-SOD and Mn-SOD activities were decreased, especially in deceased patients. Moreover, in patients who died increased levels of pro-inflammatory eicosanoids (PGE2 and TXB2) and decreased of anti-inflammatory (15d-PGJ2 and 5-HETE) were observed. However TXB2 was decreased, and IL-2 and IL-10 levels were in-creased in survivors, if compared both to healthy subjects and deceased patients, who did not change their cytokine generation. Therefore, it seems that by triggering transcription factors granulocytes activate redox signaling, leading to the production of pro-inflammatory eicosanoids, while reducing cellular antioxidant capacity via SOD, they express altered response to COVID-19, which might result in the onset of the vicious cycle of systemic oxidative stress in deceased patients.

G protein-coupled receptors (GPCRs) serve prominent roles in melanocyte lineage physiology, with an impact at all stages of development, as well as on mature melanocyte functions. GPCR ligands are present in the skin and regulate melanocyte homeostasis, including pigmentation. The role of GPCRs in the regulation of pigmentation and, consequently, protection against external aggression, such as ultraviolet radiation, has long been established. However, evidence of new functions of GPCRs directly in melanomagenesis has been highlighted in recent years. GPCRs are coupled, through their intracellular domains, to heterotrimeric G proteins, which induce cellular signaling through various pathways. Such signaling modulates essential cellular processes of melanomagenesis, such as proliferation and migration. GPCR-associated signaling in melanoma can be activated by the binding of paracrine factors to their receptors or directly by activating mutations. In this review, we present melanoma-associated alterations of GPCRs and their downstream signaling and discuss the various preclinical models used to evaluate new therapeutic approaches against GPCR activity in melanoma. Recent striking advances in our understanding of the structure, function, and regulation of GPCRs will undoubtedly broaden treatment options in melanoma in the future.

Here we are concerning with two problems of a coupled system of random and stochastic nonlinear differential equations with two coupled systems of nonlinear nonlocal random and stochastic integral conditions. The existence of solutions will be studied. The sufficient condition for the uniqueness of the solution will be given. The continuous dependence of the unique solution on the nonlocal conditions will be proved.

The increasing frequency of urban flooding, driven by global climate change, poses significant threats to the safety and resilience of urban rail transit systems. This study systematically examines the cascading failure processes and resilience of these networks under flood conditions, with a specific focus on the Shanghai Metro. A comprehensive resilience evaluation model was developed by integrating geographic information, static network characteristics, and dynamic passenger flow indicators. This study employs an improved Coupled Map Lattice (CML) model to simulate cascading failures, considering the coupling effects of station centrality, geographic elevation, and passenger flow dynamics. Results indicate that stations with higher degree centrality are more likely to trigger rapid cascading failures across the network. However, incorporating dynamic passenger flow and geographic elevation data helps mitigate these effects, emphasizing the need for multi-dimensional resilience strategies. The findings provide valuable insights for urban transit management, offering a scientific foundation for developing targeted disaster response strategies to enhance network resilience against floods. This study advances the understanding of the vulnerability of urban rail transit systems and offers practical guidance for improving disaster preparedness in urban transportation infrastructure.

Barium monofluoride (BaF) is a polar molecule of interest to measurements of the electron electric dipole moment [1, 2]. For this purpose efforts are under way to investigate this molecule embedded within cryogenic matrices, e.g., in solid Ne [3]. For a theoretical understanding of the electronic structure of such an embedded molecule the need arises for efficient methods which are accurate, but also can handle a number of atoms which surround the molecule. The calculation for gas-phase BaF can be reduced to involve only outer electrons by representing the inner core of Ba with a pseudopotential [4] while carrying out a non-relativistic calculation with an appropriate basis set [5]. In this work we demonstrate to which extent this can be achieved using coupled-cluster methods to deal with electron correlation. As a test case the SrF(X 2Σ+ → B 2Σ+) transition is investigated and excellent accuracy is obtained with the EOM-CC3 method. For the BaF(X 2Σ+ → A′ 2∆, X 2Σ+ → A 2Π, X 2Σ+ → B 2Σ+) transitions various coupled-cluster approaches are compared with very good agreement for EOM-CC3 with experimentally derived spectroscopic parameters except for the excitation to the A′ 2∆ state for which the excitation energy is overestimated by 200 cm−1.

Oxidation of a mixture of nonlabelled (14N2H4) and 15N labeled (15N2H4) hydrazine in aqueous solutions produces 14N15N molecules, indicating the intermediate existence of N4H6 or N4H4 dimers with subsequent transfers of H atoms and splitting of lateral N-N bonds. To explain the key part of hydrazine oxidation reaction, the structures, thermodynamics, and electron characteristics of N4H4 molecules in aqueous solution are investigated at CCSD/cc-pVTZ level of theory. We have not found any spontaneous splitting of the bond between lateral nitrogen atoms in tetrazenes N4H4 during geometry optimization. The most probable N4H4 oxidation products are H2N-NH2 and N2, which are obtained by splitting the bond between central nitrogen atoms and so only 15N2 and 14N2 molecules are formed. Additionally, the formation of H3N-NH and N2 oxidation products is also preferred to structures without any N-N fissions. The formation of H2N=N and HN=NH reaction products is energetically less advantageous. Cyclo-N4H4 structures are stable, without any N-N fissions, but their very high Gibbs energies indicate their vanishing abundance in aqueous solution, so their involvement in hydrazine oxidation is highly improbable. Hydrazine oxidation to 14N15N molecules cannot be explained by tetrazene N4H4 intermediates.

Due to its potential harm to space payload, microwave corona breakdown of microstrip circuits has attracted much attention. This work describes an efficient way to suppress corona breakdown. Since corona breakdown threshold is determined by the highest electric field intensity at the surface of microstrip circuits, lacquer coating with thickness of tens of microns is sprayed on the top of microstrip circuits. The applied dielectric coating is used to move the discharge location away from circuit’s surface which is equivalent to reduce the highest electric field intensity on the in-terface of solid/air of the circuit and thus results into higher breakdown threshold. Two designs of classic coupled-line band-pass filter were used for verification. Corona experimental results at 2.5 GHz show that, in the interested low pressure range (100 to 4500 Pa), 5.3 dB improvement of mi-crowave corona breakdown threshold can be achieved for a filter with narrowest gap of 0.2 mm while its electrical performances like insertion loss, Q-factor are still acceptable. A threshold improvement prediction method is also presented and validated.

Using the example of a generator model with dedicated inertia, a theoretical study of two coupled self-oscillators with capacitive coupling, their sequential single-frequency synchronization, chaos and two-frequency synchronization with an adiabatic change in the magnitude of the coupling between partial self-oscillators was carried out. The parameters of self-oscillators and the values of the coupling coefficient at which the specified operating modes of coupled self-oscillators exist are determined. The results of numerical studies, illustrating the conditions for excitation of single-frequency, chaotic and dual-frequency oscillations in a system of coupled self-oscillators are presented.

Piceatannol (PIC), a natural analog of resveratrol, has various biological functions. We previously reported that PIC had an anti-obesity effect only in ovariectomized mice. While ovariectomized mice have low phosphorylation levels of hormone-sensitive lipase (pHSL) at Ser563, we found that PIC increased those levels. Here, we investigated the effect of PIC using 3T3-L1 adipocytes to clarify the mechanism by which PIC activates HSL. First, PIC was confirmed to induce HSL phosphorylation at Ser563 in 3T3-L1 cells as in vivo experiments showed. pHSL (Ser563) is believed to be activated through the β-adrenergic receptor (β-AR) and protein kinase A (PKA) pathway; however, the addition of a selective inhibitor of β-AR did not inhibit the effect of PIC. The addition of PKA inhibitor with PIC blocked pHSL (Ser563), suggesting that PIC’s effects are mediated by PKA from a different pathway than β-AR. The addition of G15, a selective inhibitor of the G protein-coupled estrogen receptor (GPER), lowered HSL activation by PIC. Furthermore, PIC inhibited insulin signaling and did not induce pHSL (Ser565), which represents its inactive form. This study is the first to suggest that the GPER pathway might regulate HSL activation in adipocytes.

A mixture of nonlabeled (14N2H4) and 15N labeled hydrazine (15N2H4) in an aqueous solution is oxidized to 15N2, 14N2, and 14N15N molecules, indicating the intermediate existence of the 14NH2-14NH-15NH-15NH2 with subsequent hydrogen transfers and splitting of side N-N bonds. Structures, thermodynamics, and electron characteristics of various N4H6 molecules in aqueous solutions are investigated using theoretical treatment at the CCSD/cc-pVTZ level of theory to explain the crucial part of the hydrazine oxidation reaction. Most N4H6 structures in aqueous solutions are decomposed during geometry optimization. Splitting the bond between central nitrogen atoms is the most frequent, but the breakaway of the side nitrogen is energetically the most preferred. The N-N fissions are enabled by suitable hydrogen rearrangements. Gibbs free energy data indicate the dominant abundance of NH3... N2... NH3 species. The side N atoms have very high negative charges, which should support hydrogen transfers in aqueous solutions. The only stable cyclo-(NH)4…H2 structure has a too high Gibbs energy and breaks the H2 molecule. The remaining initial cyclic structures are split into hydrazine and HN≡NH or H2N≡N species, and their relative abundance in aqueous solutions is vanishing.

Recent advancements in the study of the protein complex photosystem II have clarified the sequence of events leading to the formation of oxygen during the S3->S4->S0 tran-sition, wherein the inorganic Mn4Ca(µ-O)6(OHx)4 cluster finishes photo-catalyzing the water splitting reaction (Greife et al, Nature 2023, 617, 623-628; Bhowmick et al, Nature 2023, 617, 629-636) . During this final step a tyrosine radical (TyrZ), stable for a couple of milliseconds, oxidizes a cluster bound oxygen while the hydrogen bonding patterns of nearby waters shift a proton away. A treatment of this redox reaction within the context of accepted transition state theories predicts rate constants that are significantly higher than experimentally recovered values (10^12s^-1 versus 10^3s^-1). In an effort to understand this disparity, temperature dependent experiments have revealed large entropic con-tributions to the rates with only a moderate energy of activation. We suggest that the entropic source may be related to the observed proton rearrangements, and further possible near isoenergetic variations in the nearby extended h-bonding network de-laying the realization of an ‘ideal’ transition state. In the following we explore this re-lation in the context of Eyring’s transition state theory and Marcus’ electron transfer theory, and evaluate their compatibility with the experimental evidence.

This paper proposes a novel symmetrical active-switched coupled-inductor high-step-up DC/DC converter. A new active-switched coupled inductor is used to allow much higher voltage gain of the proposed converter. The symmetrical circuit structure of the proposed converter evenly divides large input currents and reduce input current ripple by operating in interleaved mode so power density is increased. The switches also have low voltage stress. The operating principle and design considerations for the converter topology are described. The proposed converter with an input voltage of 40 V, an output voltage of 400 V and an output of 1000 W at a switching frequency of 50 kHz is implemented. The simulations and experimental results are thus depicted to verify the theoretical analysis. The highest efficiency is 95.5% at 200 W measured by using a HIOKI 3390. Consequently, the proposed converter is suitable for renewable energy generation systems that require high power, high voltage gain and high efficiency.

This study aims to identify the optimal combination of microphysics (MP) and cumulus (CU) parameterization schemes for accurately simulating heavy to violet rainfall events associated with Tropical Cyclones (TCs) and atmospheric disturbances in Thailand using the coupled Weather Research and Forecasting (WRF) and Regional Oceanic Model (ROMS), hereafter referred to as WRF-ROMS. Three CU schemes, namely Betts–Miller–Janjic (BMJ), Grell 3D Ensemble (G3), and Kain–Fritsch (KF), along with three MP schemes, namely Eta (ETA), Purdue Lin (LIN), and WRF Single-moment 3-class (WSM3), are selected for the sensitivity analysis. Seven instances of heavy to violent rainfall in Thailand, occurring during summer season of 2020 and associated with tropical storms and atmospheric disturbances, are simulated using all possible combinations of the chosen physics schemes. The simulated rain intensities are compared against observations from the National Hydroinformatics Data Center. Performance was assessed using the Probability of Detection (POD), False Alarm Ratio (FAR), and Critical Success Index (CSI) metrics. The models showed proficiency in predicting light to moderate rainfall, with certain combinations performing better in specific rainfall categories. However, forecasting heavy and violent rainfall proved challenging for all models and lead-time forecasts. Specific combinations, particularly those incorporating the KF scheme, demonstrated superior prediction of heavy to violent rainfall. The FAR values increased with lead-time and rain intensity, and the KF scheme combinations showed improved predictions of intense rainfall with lower FAR values. The CSI values indicated comparable performance between the control model and combination models across light to heavy rain categories, with the KF scheme showing better predictions for longer lead-times. However, accurately predicting intense rainfall remained limited. These findings highlight the need for further improvements, including refining model parameters and exploring advanced techniques to enhance accuracy and skill, particularly for longer-term forecasts. Sub-seasonal to seasonal prediction should be considered to extend forecast capabilities.

Fatty acids (FFAs) are important biological molecules that serve as a major energy source and are key components of biological membranes. Besides, FFAs play important roles in metabolic regulation and contribute to the development and progression of metabolic disorders like diabetes. Recent studies have shown that FFAs can act as important ligands of G-protein coupled receptors (GPCRs) on the surface of cells and impact key physiological processes. Free fatty acid activated receptors include FFAR1 (GPR40), FFAR2 (GPR43), FFAR3 (GPR41) and FFAR4 (GPR120). FFAR2 and FFAR3are activated by short chain fatty acids like acetate, propionate and butyrate whereas FFAR1 and FFAR4 are activated by medium and long chain fatty acids like palmitate, oleate, linoleate and others. FFARs have generated considerable attention over the last few years and have become attractive pharmacological targets in the treatment of type 2 diabetes and metabolic syndrome. Several lines of evidence point to their importance in the regulation of whole-body metabolic homeostasis including adipose metabolism. Here we summarize our current understanding of the physiological functions of FFAR isoforms in adipose biology and explore the prospect of FFAR based therapies to treat patients with obesity and Type 2 Diabetes.

Thermally-induced moisture flow in unsaturated soils is a complex coupled thermal-hydro process involving moisture flow both in vapor and liquid phases. Thermally-induced moisture flow in unsaturated sands is usually less pronounced than fine soils due to their low field capacity. It is affected by many factors, including soil density, particle size, moisture content, and gravity-induced flow. Besides, soil moisture sensors need to be highly accurate and calibrated for temperature effects in order to monitor the thermally induced moisture flow accurately. A silty sand with 35% non-plastic fines was selected to study the coupled thermo-hydro processes in a closed heat cell. The heat cell consists of two temperature-controlled heat exchanger plates at the top and bottom, heat flux sensors, moisture sensors, thermocouples, and heat conductivity sensors. The soil was prepared at various initial moisture content and tested under a constant 1-D temperature gradient. The soil moisture sensors were first calibrated in the test soil at room temperature and then at elevated temperatures. The soil moisture redistribution, temperature and thermal conductivity profiles were determined. The critical moisture content, corresponding to maximum moisture movement, was also determined. The results offer new insights into coupled moisture-heat flow in unsaturated sands.

This study investigated the characteristics of radio-frequency middle-pressure argon plasma used in the atomic layer deposition (ALD) of Al2O3 films. Based on the electrical characteristics, that is current, voltage, and phase shift between them, and stability of plasma plume, the optimum plasma power, allowing reliable switching on the plasma for any step of an ALD cycle, was determined. Spectral measurements were performed to determine the gas temperature and reactive species that could be important in the ALD process. The density of metastable argon atoms was estimated using tunable laser absorption spectroscopy. It was concluded that plasma heating of substrates did not affect film growth and proposed that the crystallization-enhancing effect of plasma was due to the action of OH radicals, produced in the plasma.

Talbot effect is a self-imaging or lensless imaging phenomenon of a periodic grating illuminated by a collimated light beam at regular distances from the grating. Research on the Talbot effect has recently made significant strides thanks to the quick development of optical superlattices. The emergence of various applications of this effect in fields such as optics, acoustics, X-ray, plasmonics, and information processing has led to the increasing importance of obtaining a Talbot carpet with the use of different structures. In this paper, we investigate the Talbot effect that originates from the tunneling effect between an ensemble of vertically coupled cylindrical quantum dots (QDs). The Talbot carpet can be manipulated by changing the parameters of the QD system. In the current paper, two modified Pöschl-Teller potentials were used to model the QDs ensemble. The exciton’s lifetime and tunneling time’s dependence on the first QD’s potential half-width is found for a fixed value of the external electric field. The nonlinear changes in the refractive index and absorption spectrum dependent on the tunneling effect are obtained. Afterward, the Talbot carpet formation is investigated, particularly the dependences of the formed periodic wavefront’s visibility on medium length, coupling field’s strength, and tunneling parameter. Finally, we have observed the intensity distribution of the diffraction field at Talbot half-distance.

Since the conventional split-merge algorithm is sensitive to the object scale variance and splitting starting point, a piecewise split-merge polygon approximation method is proposed to extract the object contour features. Specifically, the contour corner is used as the starting point for the contour piecewise approximation to reduce the sensitivity of the contour segment on the starting point; then, the split-merge algorithm is used to implement the polygon approximation for each contour segments. Both the distance ratio and the arc length ratio instead of the distance error are used as the iterative stop condition to improve the robustness to the object scale variance. Both the angle and length as two features describe the shape of the contour polygon, and affect each other along the contour order relationship. Since they have a strong coupling relationship. To improve the description correction of the contour, these two features are combined to construct a Coupled Hidden Markov Model to detect the object by calculating the probability of the contour feature. The proposed algorithm is validated on ETHZ Shape Classes and INRIA Horses standard datasets. Compared with other contour-based object detection algorithms, the proposed algorithm reduces the complexity of contour description, improves the robustness of contour features to scale variance, and has a higher object detection rate.

Chaotic theory is commonly being researched for application in image encryption scheme (IES). In this paper, a novel two-dimensional cross hyperchaotic Sine-modulation-Logistic map (2D-CHSLM) based on the famous Sine and Logistic maps. The hyperchaotic behaviors of 2D-CHSLM is testified with the help of their bifurcation diagrams, trajectory plots, Lyapunov exponents, sample entropy, C0 complexity, permutation entropy and 0-1 test. A new bit-level IES with traditional encryption structure is proposed utilizing 2D-CHSLM. The 2D-CHSLM-IES performs a 2D-CHSLM-based bit-level confusion using zig-zag transform and a 2D-CHSLM-based cross coupled diffusion operations for generating a highly secure cipher-image. Then the simulations and security analyses are further carried out with the help of key space, key sensitivity, histogram, correlation, information entropy, differential attack, noise and data loss attacks, prove that the security of the proposed 2D-CHSLM-IES

As urbanization has accelerated, China has started to build smart cities, which have formed smart city clusters. It is critical to coordinate development within smart city clusters to enhance the efficiency of city cluster construction. From the perspective of demographic economics, this study innovatively constructed an evaluation system for the coordinated development of smart city clusters and utilized the coupled coordination degree model to conduct an in-depth study of smart city clusters in Jiangsu Province. The results show that there are clear differences in the development between the three regions of Jiangsu Province: Southern Jiangsu, Central Jiangsu, and Northern Jiangsu. The development within Jiangsu Province is imbalanced, where the overall development trend is high in the southern region and low in the northern region. The main driving factors include geography, the Matthew effect, game thinking, and industrial structure. Accordingly, the results suggest the following recommendations for the coordinated development of smart city clusters: strengthening cross-regional cooperation, promoting data sharing and interoperability, deepening synergistic industrial development, and expanding innovation capacity.

This paper introduces a novel ensemble adjustment Kalman filter (EAKF) that integrates a machine-learning approach. The approach employs nonlinear variable relationships established by a deep neural network (DNN) during the analysis stage of the EAKF. This process nonlinearly projects observation increments into the state variable space. The newly developed DNN-EAKF algorithm can be applied to coupled data assimilation using coupled ocean-atmosphere models. It enhances cross-component updates in strongly coupled data assimilation (SCDA) by diminishing errors in estimating cross-component error covariance arising from insufficient ensemble members, thereby improving the SCDA analysis. This paper employs a conceptual model to conduct twin experiments, validating the DNN-EAKF’s capability to utilize cross-component observation information in SCDA effectively. The approach is anticipated to offer insights for future methodological integrations of machine learning and data assimilation and provide methods for SCDA applications in coupled general circulation models.

In several emergency situations, during natural or human-caused disasters, frontline responders need to be able to communicate and collaborate to properly carry out the relief mission. Some countries are building their national Public Safety Mobile Broadband based on cellular LTE technology to provide fast, safe, and secure emergency services. Otherwise, in several emergency situations, the cellular antennas can be overloaded or partially damaged in manner to affect the group communication services. Since few last years, direct device-to-device (D2D) communications have been proposed by 3GPP as an underlay to Long Term Evolution (LTE) networks based on proximity, reuse, and hop gains. This paper focuses on the loosely coupled model based on D2D direct communication for Public Safety context. Many scenarios related to user membership and network management are detailed. Both “less cost” and “optimized tree” approaches are proposed, implemented, and their performance evaluated in terms of network updates number and resulting average Channel Quality Indicator (CQI). Other optimization approaches with different CQI threshold and optimization interval values have been implemented, simulated and their performance are compared with the “optimized tree”.

The cell surface targeting of neo-synthesized G protein coupled receptors (GPCRs) involves recruitment of receptor into COPII vesicles budding at Endoplasmic Reticulum Exit sites (ERES). This process is regulated for some GPCRs by escort proteins, which facilitate their export, or by gatekeepers that retain the receptors in the ER. PRAF2, an ER gatekeeper of the heterodimeric GABAB receptor protomer GB1, which interacts with a tandem di-leucine / RXR retention motif in the carboxyterminal tail of GB1, also inhibits the plasma membrane export of the chemokine receptor CCR5. PRAF2 / CCR5 interactions involve the transmembrane domains of both proteins. The di-leucine / RXR motif contained in the third intracellular loop of CCR5 does not affect PRAF2-mediated retention but impairs instead the interaction between CCR5 and its private escort protein CD4. PRAF2 and CD4 thus display opposite roles on the cell surface export of CCR5, likely at the level of its recruitment into COPII vesicles, PRAF2 inhibiting and CD4 promoting this process.

The coupled Dirac equations for solar e- and μ-neutrinos are solved in the presence of a small uniform interaction of the e-neutrinos with matter (the Sun). It is shown that the interaction leads to an increase of the amplitude of the neutrinos oscillations and a decrease of the lo- calization probability of the e-neutrinos. However, the strength of this interaction is insufficient to explain the magnitude of the discrepancy between the solar neutrino flux and the neutrino flux measured on the Earth. An alternative interpretation related to a possible superfluid neutrino state is advanced, which may throw some light on the solar neutrino problem.

In the last decades, studies on the inflammatory signaling pathways in multiple pathological contexts revealed new targets for novel therapies. Among the family of G-protein-coupled Proteases Activated Receptors, PAR2 was identified as a driver of the inflammatory cascade in many pathologies, ranging from autoimmune disease to cancer metastasis. For this reason, many efforts have been focused on the development of potential antagonists of PAR2 activity. This work focuses on a small molecule, 1-Piperidine Propionic Acid (1-PPA), previously described to be active against inflammatory processes, but whose target is still unknown. Stabilization effects observed by cellular thermal shift assay coupled to in-silico investigations, including molecular docking and Molecular Dynamics simulations, suggested that 1-PPA binds PAR2 in an allosteric pocket of the receptor inactive conformation. In addition, this compound was found able to inhibit platelet aggregation, a process mediated by PAR family members, including PAR2. Since the allosteric pocket binding 1-PPA is highly conserved in all the members of the PAR family, the evidence reported here suggests that 1-PPA could represent a promising new small molecule targeting PARs with antagonistic activity.

Blatter radicals 1-(3,4-difluorophenyl)- (1a) and 1-(2,4-difluorophenyl)-3-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl (1b) were prepared in good yields through oxidation of the corresponding amidrazones using MnO2 in dry CH2Cl2. Cyclic voltammetry showed that both radicals are oxidized and reduced chemically and electrochemically reversibly in accordance with –1/0 and 0/+1 processes. EPR spectroscopy indicated that spin density is mainly delocalized on the triazinyl moiety of the heterocycle. Structure of all paramagnets was unambiguously confirmed by single-crystal X-ray diffraction, and two different 1D chains of alternating radicals were identified. 3,4-Difluorophenyl-derivatives 1a are packed into columns composed of two kinds of alternating centrosymmetric dimers, having comparatively short intermolecular distances. In crystals of 2,4-difluorophenyl-derivative 1b, the parallel arrangement of bicyclic moieties and phenyl rings favors the formation of 1D regular chains wherein the radicals are related by translation parallel to the crystallographic stacking axis. Magnetic susceptibility measurements in the 2–300 K region showed that in crystals of the radicals, strong antiferromagnetic interactions are dominant. Subsequent fitting of the dependence of T on T with 12-membered looped uniform stacks gave the following best-fit parameters: for 1a, g = 2.01 ± 0.05, J/kB = –292 ± 10 K; for 1b, g = 2.04 ± 0.1J/kB = –222 ± 17 K. For comparison, in a nonfluorinated related radical, there are only very weak intermolecular interactions along the columns (J/kB = –2.2 ± 0.2 K). These results illustrate the magnitude of the influence of the fluorine atoms introduced into Blatter radicals on their structure and magnetic properties.

We used an ultrasensitive, broadband optomechanical ultrasound sensor to study the acoustic signals produced by pressurized nitrogen escaping from a variety of small syringes. Harmonically related jet tones extending into the MHz region were observed for a certain range of flow (i.e., Reynolds number), in qualitative agreement with historical studies on gas jets emitted from pipes/orifices of much larger dimensions. For higher turbulent flow rates, we observed broadband ultrasonic emission in the ~ 0 – 5 MHz range, likely limited on the upper end by attenuation in air. These observations are made possible by the broadband, ultrasensitive response (for air-coupled ultrasound) of our optomechanical devices. Aside from their theoretical interest, our results could have practical implications for the non-contact monitoring and detection of early-stage leaks in pressured fluid systems.

G-protein coupled receptors (GPCRs), one of the largest superfamilies of cell-surface receptors, are heptahelical integral membrane proteins that play critical roles in virtually every organ system. G-protein-coupled receptors operate in membranes rich in cholesterol, with an imbalance in cholesterol level within the vicinity of GPCR transmembrane domains affecting the structure and/or function of many GPCRs, a phenomenon that has been linked to several diseases. These effects of cholesterol could result in indirect changes by altering the mechanical properties of the lipid environment or direct changes by binding to specific sites on the protein. There are a number of studies and reviews on how cholesterol modulates class A GPCRs, however, this area of study is yet to be explored for class C GPCRs, which are characterized by a large extracellular region and often form constitutive dimers. This review highlights specific sites of interaction, functions, and structural dynamics involved in the cholesterol recognition of the class C GPCRs. We summarize recent data from some typical family members to explain the effects of membrane cholesterol on the structural features and functions of Class C GPCRs and speculate on their corresponding therapeutic potential.

We present a method to turn results of model-based optimisations into resilient and comprehensible control strategies. Our approach is to define priority lists for all available technologies in a district energy system. Using linear discriminant analysis and the results of the optimisations, these are then assigned to discrete time steps using a set of possible steering parameters. In contrast to the model-based optimisations, the deduced control strategies do not need perfect foresight but solely rely on data about the present. Our result indicate that the results of the control strategies obtained using the proposed method are comparable to the results of the linear optimisations, in our case in terms of emissions and prices.

Protein is the proteios building block of life. Evolutionarily, its sequence is not as conserved as its structure, making it more reasonable for protein structure, instead of protein sequence, to be the descriptor of protein function. Yet, in the National Center for Biotechnology Information (NCBI) database, the number of experimentally identified protein sequences is in great excess of that of experimentally determined protein structures inside the almost-half-a-century old Protein Data Bank (PDB). For instance, GPR151 is an proton-sensing G-protein coupled receptor (GPCR) originally identified as homologous to galanin receptors. As of March 19, 2020, GPR151’s structure has not been experimentally determined and deposited in PDB yet. Thus, an ab initio modelling approach was employed here to build a three-dimensional structure of GPR151. Overall, the ab initio GPR151 model presented herein constitutes the first structural hypothesis of GPR151 to be experimentally tested in future with previously published, currently ongoing and future GPR151 studies.

Current numerical methods for simulating biophysical processes in aquatic environments are typically constructed in a grid-based Eulerian framework or as an individual-based model in a particle-based Lagrangian framework. Often, the biogeochemical processes and physical (hydrodynamic) processes occur at different time and space scales, and changes in biological processes do not affect the hydrodynamic conditions. Therefore, it is possible to develop an alternative strategy to grid-based approaches for linking hydrodynamic and biogeochemical models that can significantly improve computational efficiency for this type of linked biophysical model. In this work, we utilize a new technique which links hydrodynamic effects and biological processes through a property-carrying particle model (PCPM) in a Lagrangian/Eulerian framework. The model is tested in idealized cases and its utility is demonstrated in a practical application to Sandusky Bay. Results show the integration of Lagrangian and Eulerian approaches allows for a natural coupling of mass transport (represented by particle movements and random walk) and biological processes in water columns which is described by a nutrient-phytoplankton-zooplankton-detritus (NPZD) biological model. This method is far more efficient than traditional tracer based Eulerian biophysical models for 3-D simulation, particularly for a large domain and/or ensemble simulations.

The fast decoding of low-density parity-check (LDPC) is crucial for its future applications. In this paper, we propose to use Early Termination (ET) and Force Convergence (FC) techniques to accelerate the decoding of two new local/global two-phases decoding algorithms to reduce the Globally Coupled (GC) LDPC codes. Specifically, ET is applied in the local decoding phase of two- phases decoding of GC-LDPC codes to skip the local decoding which is highly likely to fail and avoid the unnecessary iterations. FC is applied in global decoding phase where converged variable nodes are identified and removed from Tanner graph and the decoding can be speed up shrinking parity check matrices. Two variants are proposed for the ET operation in local decoding phase. ET-1 merely stops iteration if it meets the stopping criterion while in ET-1, the iteration number saved in local decoding is added up in global decoding to improve the decoding performance. The simulation results show that the ET-1-FC scheme can save up to 42% decoding time complexity in the low SNR region while keeping the error rate performance nearly unchanged, the ET-2-FC can improve the error rate performance by 0.18dB at bit error rate 0.001 or 0.23dB at frame error rate 0.1. In the waterfalling region of BER/FER curves, both schemes can save about 25% decoding time complexity.

Part II, like Part I, discusses geometry, kinematics and statics in detail without taking into account power losses in meshing. The main goal of Part II, however, is to prove that there are complex and structurally coupled planetary gear systems, i.e. containing a closed circuit in which no circulation of power flow is generated. The power flow analysis is also carried out using the direct method, with a slight modification in the way of writing the equations identifying active and passive gears, i.e. at the same time the directions of power flow on all transmission paths. The analysed planetary gear system (PGS) is characterised by mobility equal to 1, i.e. single degree of freedom (DoF). It consists of three subsystems in the form of the 2KH type planetary units connected in series-parallel, specially selected to demonstrate the thesis of this paper. It consists of three subsystems in the form of single planetary subsystems of the 2KH type connected series-parallel, specially chosen to illustrate the thesis of this paper.

The susceptible-infected-recovered/removed-vaccinated (SIRV) epidemics model is an important generalization of the SIR epidemics model as it accounts quantitatively for the effects of vaccination campaigns on the temporal evolution of epidemics outbreaks. Additional to the time-dependent infection ($a(t)$) and recovery ($\mu (t)$) rates, regulating the transitions between the compartments $S\to I$ and $I\to R$, respectively, the time-dependent vaccination rate $v(t)$ accounts for the transition between the compartments $S\to V$ of susceptible to vaccinated fractions. An accurate analytical approximation is derived for arbitrary and different temporal dependencies of the rates which is valid for all times after the start of the epidemics for which the cumulative fraction of new infections $J(t)\ll 1$. As vaccination campaigns automatically reduce the rate of new infections by transferring susceptible to vaccinated persons, the limit $J(t)\ll 1$ is even better fulfilled than in the SIR-epidemics model. The comparison of the analytical approximation for the temporal dependence of the rate of new infections $\jt(t)=a(t)S(t)I(t)$, the corresponding cumulative fraction $J(t)$, and $V(t)$, respectively, with the exact numerical solution of the SIRV-equations for different illustrative examples proves the accuracy of our approach. The considered illustrative examples include the cases of stationary ratios with a delayed start of vaccinations, and an oscillating ratio of recovery to infection rate with a delayed vaccination at constant rate. The proposed analytical approximation is self-regulating as the final analytical expression for the cumulative fraction $\jinf $ after infinite time allows us to check the validity of the original assumption $J(t)\le \jinf \ll 1$.

In this paper, we succeed to discover the new exact wave solutions to the truncated M-fractional complex three coupled Maccari’s system by utilizing the Sardar sub-equation scheme. The obtained solutions are in the form of trigonometric and hyperbolic forms. These solutions have many applications in nonlinear optics, fiber optics, deep water-waves, plasma physics, mathematical physics, fluid mechanics, hydrodynamics and engineering where the propagation of nonlinear waves is important. Achieved solutions are verified with the use of Mathematica software. Some of the achieved solutions are also described graphically by 2-dimensional, 3-dimensional and contour plots with the help of Maple software. The gained solutions are helpful for the further development of concerned model. Finally, this technique is simple, fruitful and reliable to handle the nonlinear FPDEs.

Practical entanglement distillation is a critical component in quantum information theory. Entanglement distillation is often utilized for designing quantum computer networks and quantum repeaters. The practical entanglement distillation problem is formulated as a bilevel optimization problem. A fuzzy formulation is introduced to estimate the quantum state (density matrix) from pseudo-likelihood functions (i.e., quantum state tomography). A scale-independent relationship between fuzzy relations in terms of the pseudo-likelihood functions is obtained. The entanglement distillation optimization problem was solved using the combined coupled map lattice and dual annealing approach. Comparative analysis of the results is then conducted against a standard dual annealing algorithmic implementation.

The sustainable metabolic engineering (SME) concept was defined by Stalidzans and Dace as an approach for the selection of most sustainable metabolic engineering designs taking the economic, environmental and social components of sustainability into account. In the centre of sustainability calculations is a genome scale metabolic model that provides full balance of all incoming and outgoing metabolic fluxes at steady state. Therefore, sustainability indicators are assigned for each exchange reaction enabling calculation of sustainability features of consumption or production of each metabolite. The further development of the SME concept depends on its implementation at the computational level to acquire applicable results – sustainable production strain designs. This study proposes for the first time a workflow and tools of SME implementation using constraint based stoichiometric modelling, genome scale metabolic models and growth coupled product synthesis approach. For SME application demonstration purposes, a relatively simple engineering task has been carried out. The most sustainable designs have been identified using Escherichia coli as chassis organism, glucose as a substrate and gene deletions as metabolic engineering tool. A growth coupled production design tool has been used to reduce the variability of sustainability. The 10 000 most sustainable designs were producing succinate as the main product with the number of deleted genes ranging from two to ten. A big number of similar designs has been identified due to the combinatorial explosion of different alternative combinations of gene deletion sets that result in interruption of the same metabolic pathways with the same impact on the metabolism.

Unlike aerial or terrestrial navigation, the Global Navigation satellite system (GNSS) is not available underwater. This is a big challenge for underwater navigation. The inertial navigation system (INS) aided by the single-beacon acoustic positioning system (APS) provides one solution, but the long-range case is limited by low SNR conditions. Inspired by passive synthetic aperture detection, we proposed a new tightly coupled navigation algorithm based on spatial synthesis and one-way-travel-time (OWTT) range measurement. We design two estimators: the DOA/Range estimator using the model-based method and the tightly coupled INS/APS navigation estimator. Based on the improved UKF, all information is combined. Simulation is carried out in MATLAB. Compared with range-only tightly coupled INS/APS navigation, synthetic long baseline (SLBL) algorithm and Doppler velocity logger (DVL) aided centralized extended Kalman filter (CEKF) based single beacon INS/OWTT navigation, the proposed method's performance is proven. The main contributions of this work are: 1. Propose a new architecture of underwater integrated navigation; 2. Apply the passive acoustic detecting method in the navigation to improve accuracy. 3. Apply the tightly coupled method to improve availability.

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

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

The 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.

A coupled stratospheric chemistry-meteorology model was developed by combining the Canadian operational weather prediction model Global Environmental Multiscale (GEM) with a comprehensive stratospheric photochemistry model from the Belgian Assimilation System for Chemical ObsErvations (BASCOE). The coupled model was called GEM-BACH for GEM-Belgian Atmospheric CHemistry. The coupling was made across a chemical interface that preserves time splitting while being modular, allowing GEM to run with or without chemistry. An evaluation of the coupling was performed by comparing the coupled model, refreshed by meteorological analyses every 6 hours, against the standard offline chemical transport model (CTM) approach. Results show that the dynamical meteorological consistency between meteorological analysis times far outweighs the error created by the jump resulting from the meteorological analysis increments at regular time intervals, irrespective whether a 3D-Var or 4D-Var meteorological analysis is used. GEM-BACH forecast refreshed by meteorological analyses every 6 hours were compared against independent measurements of temperature, long-lived species, ozone and water vapor. The comparison showed a relatively good agreement throughout the stratosphere except for an upper-level warm temperature bias and an ozone deficit of nearly 15%. Arguments in favor of using the same horizontal resolution for chemistry, meteorology, and meteorological analysis increments are also presented. In particular, the coupled model simulation during an ozone hole event gives better ozone concentrations than a 4D-Var chemical assimilation at a lower resolution.

By using the new recently proposed extended rational methods, we set some solitary and multi wave solutions of the coupled Higgs system in the present study. Some new families of hyperbolic and trigonometric solutions of the coupled Higgs equations are successfully obtained. Some solutions are real as some are complex valued functions. Particular forms of some solutions derived by choice of some parameters are demonstrated in three dimensional spaces. The complex valued solutions are also depicted by plotting both real and complex component.

A formulation of nonequilibrium thermo field dynamics has been performed using the nonequilibrium statistical operator method by D.N. Zubarev. Generalized transfer equations for a consistent description of kinetics and hydrodynamics of the dense quantum-field system with strongly coupled states are derived.

Technological advancements and evolving government regulations are driving the adoption of construction equipment powered by renewable energy sources, aiming to significantly reduce emissions. Electrifying non-road mobile machinery (NRMM), particularly self-propelled Rough-Terrain Variable Reach Trucks (RTVRT) with telescopic booms, presents stability challenges. Replacing diesel engines with electric motors and battery packs shifts the centre of gravity, necessitating precise load capacity determinations via load charts to ensure safe operation. This paper introduces a virtual model developed using multi-physic modelling with Bond Graph methodology. The model encompasses crucial components, including the chassis, rear axle, telescopic boom, attachment fork, and wheels, requiring three-dimensional treatment for spatial dynamics resolution. An illustrative example, supported by experimental data, demonstrates the model's capabilities. Special focus is placed on calculating ground wheel reaction forces and hydraulic self-leveling of the attachment fork. Numerical results validate the BG-3D simulation model of the telehandler with 20-Sim as a promising tool for estimating stability limits with satisfactory precision and predicting dynamic behavior across various operating conditions. Moreover, the paper explores potential extensions of the model, such as integrating the virtual vehicle model with a platform of variable inclination in subsequent phases which aims to evaluate telehandler longitudinal and lateral stability, aligning with the ISO 22915 standard and operator safety.

The knowledge of COVID-19 impact on the human body has increased rapidly. Although many people recover from COVID-19, some continue to experience persistent symptoms that have been identified as Long COVID. This condition can have a severe impact on quality of life, and it remains a significant concern for medical professionals and researchers. One of the key components of the SARS-CoV-2 virus that enables it to enter human cells is the spike (S) protein. Recent studies have revealed a complex network of interactions between G proteins, spike (S) protein, and the Renin-Angiotensin System (RAS) may be responsible, at least in part, for long COVID. SARS-CoV-2 can also affect the brain, leading to neurological symptoms such as confusion, memory loss, and fatigue. Increasing evidence suggests that COVID-19 is not just a respiratory illness since it is likely that the virus could influence signal transduction pathways such as G-protein-coupled receptor (GPCR), among others, in the brain, either directly or indirectly, affecting neural functions. These interactions with the spike (S) protein and RAS, alongside the brain, are complex and require deep research to understand their implications for Long COVID-19 manifestation fully. While recent research has shed light on the complex interactions between G proteins, spike (S) protein, the brain, and the angiotensin system, this article explores these interconnected pathways and their implications for long COVID-19 manifestations. The present review summarises current research on different molecular mechanisms in Long COVID pathophysiology and may help identify possible targets or new strategies for the diagnosis and treatment.

Trace amines are a separate, independent group of biogenic amines, close in structure to classical monoamine neurotransmitters such as dopamine, serotonin and norepinephrine. G protein-coupled Trace Amine-Associated Receptors (TAAR) are mostly investigated for their involvement in the pathogenesis of neuropsychiatric disorders, but expression of TAAR family receptors is observed also in various populations of cells of the immune system. The review is focused on the basic information on the interaction of trace amines and their receptors with cells of the general immune system of humans and other mammals, as well as on data on TAARs role in the function of individual populations of myeloid and lymphoid cells. With further research on the regulatory role of the trace amine system in the pathogenesis of the immune response and determination of the biological mechanisms for their action it would be possible to develop new methods for treating diseases related to immune system dysfunctions.

A comprehensive theory is developed for the chiral optical response of two configurations of the N-oscillator Born-Kuhn model (NOBK): the helically stacked and the corner stacked models. In the helical NOBK model, there is always a chiral response regardless of the value of N, whereas in the corner NOBK, only configurations with even N demonstrate a chiral response. Generally, the magnitudes of optical rotatory dispersion (ORD) and circular dichroism (CD) increase with N when the parameters of each oscillator are fixed. In cases of weak coupling, the spectral shapes of ORD and CD remain invariant, while strong coupling significantly alters the spectral shapes. For large damping, the spectral amplitude becomes smaller, and the spectral features become broader. In the presence of small damping, strong coupling introduces degeneracy in the coupled oscillator system, leading to multiple spectral features in both ORD and CD across the entire spectral region. This simple model not only can help in the design of tunable chiral metamaterials but also enhance our understanding of chiro-optical responses in structures with different configurations.

Comparisons of power flows and efficiencies in two structurally quite similar cylindrical series-parallel planetary gear systems (PGSs) were performed in three separate parts of this paper. Each of these single degree of freedom (DoF) systems consists of three different 2KH subsystems connected in series-parallel. The main goal was to prove that apart from complex, structurally and dynamically coupled PGSs, there are also complex and only structurally coupled PGSs, in which the phenomenon of power flow circulation inside closed loops does not occur. Such a half-coupled type of PGS is herein called pseudo-coupled. Therefore, Part I discusses in detail the geometry, kinematics and statics of coupled PGSs in order to determine power flow paths. A comparison of the directions of power flow in both types of PGSs can be made in Part II after determining the power flow paths in the second planetary gear in a similar way. The directions of power flow in both types of PGSs were determined in a relatively simple way, thanks to the distinction between active and passive torques and thus active and passive shafts of individual subsystems. The efficiency comparison made in Part III will show whether power circulation has an influence on the efficiency value, at least in these two types of PGSs.

The naturally occurring dipeptide carnosine (β alanyl L histidine) specifically attenuates tumor growth. Here, we asked whether other small imidazole containing compounds also affect viability of tumor cells without affecting non-malignant cells, and whether formation of histamine is involved. Patient-derived fibroblasts and glioblastoma cells were treated with carnosine, L alanyl L histidine (LA-LH), ß alanyl L alanine, L histidine, histamine, imidazole, β alanine and L alanine. Cell viability was assessed by cell-based assays and microscopy. The intracellular release of L histidine and formation of histamine was investigated by High Performance Liquid Chromatography coupled Mass Spectrometry. Whereas carnosine and LA LH inhibited tumor cell growth with minor effects on fibroblasts, L-histidine, histamine and imidazole affected viability in both cell types. Compounds without imidazole moiety did not diminish viability. In the presence of LA LH but not in the presence of carnosine a significant rise of intracellular amounts of histidine was detected in all cells. Formation of histamine was not detectable in the presence of carnosine, LA LH or histidine. In conclusion, the imidazole moiety of carnosine contributes to its anti-neoplastic effect, which is also seen in the presence of histidine and LA LH. Despite histamine had a strong effect on cell viability, formation of histamine is not responsible for the effects on cell viability of carnosine, LA LH and histidine.

Production of electricity using hydro-kinetic tidal turbines has many challenges that must to be overcome to ensure reliable, economic and practical solutions. Energy from flowing water is converted by a system comprising: the turbine rotor blades, a gearbox, an electrical generator, control systems, power electronics, export cables, and a connection to the electricity grid. To date these have often been modelled using simulations of independent systems, lacking bi-directional, real-time, coupling. This approach leads to critical effects being missed. Turbulence in the flow, results in large velocity fluctuations around the blades, causing rapid variation in the shaft torque and generator speed, and consequently in the voltage seen by the power electronics and consequently the export power quality. The resulting poor quality power may be unacceptable to the grid. Conversely, grid frequency and voltage changes can also cause the generator speed to change, resulting in changes to the shaft speed and torque and consequently changes to the lift and drag forces acting on the blades. Clearly, fully integrated, bi-directional, models are needed. Here we present two fully coupled models which use different approaches to model the hydrodynamics of rotor blades. The first model uses Blade Element Momentum Theory (BEMT), resulting in an efficient tool for turbine designers. The second model also uses BEMT combines this with an actuator line model of the blades coupled to an unsteady computational fluid dynamics (CFD) simulation. This simulation, implemented in OpenFOAM, uses an energy balance to compute the shaft speed. Both the BEMT and CFD models are coupled to an Open Modellica model of the electro-mechanical system. Both models have been used to simulate the performance of a 1.2m diameter, scale model, of a three bladed horizontal axis tidal turbine tested in the University of Edinburgh FloWave Ocean Energy Research Facility. The turbulent flow around the blades and the mechanical-electrical variables during the stable period of operation are analysed. Time series and tabulated average values of mechanical thrust, power, torque, and rotational speed as well as electrical variables of generator power, electromagnetic torque, voltage and current are presented for the coupled system simulation. The relationship between the mechanical and electrical variables and the results from both tidal turbine approaches are discussed. Our comparison shows that while the BEMT model provides an effective design tool (leading to slightly more conservative designs), the CFD/BEMT simulations provide more accurate predictions of the blade loads which can be especially important in assessing fatigue on the blades (though at an increased computational cost).

The performance of ground heat exchangers systems depends on the knowledge of the thermal parameters of the ground like thermal conductivity, thermal capacity and diffusivity. The knowledge of these parameters often requires quite accurate experimental analysis, known under the name of Thermal Response Test (TRT). In this paper, after a general analysis of the various available types of TRT and the study of the theoretical basics of the method, the perspective of the definition of a simplified routine method of analysis based on the combination of a particular version of TRT and the routine geotechnical tests for the characterization of soil stratigraphy and of the ground characteristics, mandatory before the construction of a new buildings, even if limited to quite short drilling depth (lower than 30 m). The idea of developing TRT in connection with geotechnical test activity has the objective of promoting a widespread use of in-situ experimental analysis and of reducing TRT costs and time duration of the experimental analysis. The considerations exposed in the present paper lead to reconsider a particular variety of the TRT in particular the version known as Thermal Response Test while Drilling (TRTWD).

In this paper, firstly, some questionable formulas and conceptual oversights of previous reduced sigma set unscented transformation (UT) methods are revised through theoretical analysis. Then the revised UT methods based Kalman filters are used in a GPS/INS tightly-coupled system. The Kalman filter flows are the kind of square-root, since the square-root unscented Kalman filters (SRUKFs) can guarantee the stability of the system. By using the reduced sigma set SRUKFs (which contain simplex sigma set square-root unscented Kalman filter (S-SRUKF), spherical simplex sigma set square-root unscented Kalman filter (SS-SRUKF) and minimum sigma set square-root unscented Kalman filter (M-SRUKF)), the computation cost is greatly saved compared with the standard SRUKF, while the accuracy of the GPS/INS tightly-coupled system still maintained. The structure of the GPS/INS tightly-coupled system is in the form of error state, and the time updates of the state and the state covariance of SRUKFs are directly estimated without using UT, thus the computational time is also greatly saved. The pseudo-satellite is introduced to aid the system when the observation information is deficient, for example, when the GPS signal is deficient in the maneuver environment. By using the pseudo-satellite, the optimal performance of the system is guaranteed. Experiment of unmanned aerial vehicle (UAV) showed that the pseudo-satellite aided mechanism worked well.

Opioid analgesics have been used for more than 5,000 years and remain the principal pain medications prescribed today. Although morphine is considered the gold standard for pain relief, this µ-opioid receptor (MOP)-selective agonist provides only moderate relief for many chronic pain conditions and promotes several unwanted effects that can adversely affect patient quality-of-life, prevent adherence to treatment or generate addiction. In addition to the lack of progress in the development of better analgesics, there have been no significant breakthroughs to date that have addressed side effects mentioned above. Fortunately, a better understanding of opioid pharmacology has restored hope for the development of better and safer pain medications. In this review, we describe how clinically approved opioids were initially characterized as biased ligands and what impact this approach could have on clinical practice. We also looked at the preclinical and clinical development of MOP biased agonists, with an emphasis on the oliceridine story, as the first specifically designed biased painkiller. Moreover, we explore the discrepancies between ligands with low intrinsic efficacy and those with biased properties. Finally, we examine the rationale behind biased ligand development during the opioid crisis era.

During 2021 and 2022 summers, we measured the total and dissolved (< 0.45 mm) concentration of 25 elements in Utah Lake using Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES). Utah regulates twelve of these elements. ICP-OES sensitivity is at the ppb-level but is not the approved regulatory method. All regulations are for dissolved concentrations; except aluminum (Al) and phosphorus (P) which are for total recovery. We found total Al concentrations above allowable, but dissolved concentrations were well below allowable concentrations. We attribute high total concentrations to suspended clays. Dissolved copper (Cu) concentrations were below regulatory levels in 2021, but some samples were above regulatory levels in 2022. This could be related to the use of Cu-based algaecide treatments, or from other sources. Lead (Pb) data were inconclusive; dissolved Pb concentrations were well below the acute (1-hour average) limit, but the chronic concentration limit (4-hour average) is below the ICP-OES minimal detection limit. Arsenic (As) concentrations exhibit a seasonal trend that we attribute to groundwater inflows. This ppb-level study provides insight into regulated elements in Utah Lake previously not available due to the high sensitivity of the method and measurements of both total and dissolved concentrations.

G-protein coupled estrogen receptor (GPER) was described to exerts several cardioprotective effects. However, the exact mechanism involved in cardiac protection remains unclear. The aim of this study is to investigate the role of GPER activation on excitation-contraction coupling (ECC), and the possibility that such effect participates in cardioprotection. Cardiac myocytes of male Wistar rats were isolated with digestive buffer and loaded with Fura-2-AM for measurement of intracellular calcium transients (CaT). Sarcomere shortening (SS) and L-type calcium current (ICaL) were also registered. Confocal technique was used to measure nitric oxide (NO) production in cells loaded with DAF-FM-diacetate. Cardiac myocytes exposed to E2 (10 nM), or G-1 (1 µM) for fifteen minutes decreased CaT, SS and ICaL. These effects were prevented using G-36 (antagonist of GPER, 1 µM), L-Name (NO synthase inhibitor, 100 nM), or wortmannin (phosphoinositide-3-kinase inhibitor, 100 nM). Moreover, G1 increased NO production, and this effect was abolished in the presence of wortmannin. We concluded that the selective activation of GPER with E2 or G1 in isolated cardiac myocytes of male rats induced a negative inotropic effect due to the reduction of ICaL and the decrease in CaT. Finally, the pathway that we proposed to be implicated in these effects is PI3K-NOS-NO.

In order to enhance the gain of antenna suitable for the airplane mounted platform, a conformal tightly coupled antenna array is investigated in this paper. Especially, three-dimensional (3-D) inkjet printing technique is used to implement the conformal property. The printing of antenna substrate and radiation layer is implemented by combining the fused deposition modelling and microdroplet injection molding technologies based on the existing 3-D printer. Here, through a unique combination of 3-D and 2-D inkjet printing of dielectric material and metallic ink, respectively, we demonstrate a monolithically integrated to a nonplanar antenna for the first time. Antenna measurements show that the complete characterization of this new process in terms of minimum feature sizes and achievable conductivities. This antenna configuration offers a high-gain performance with low-cost and rapid fabrication technique by using 3-D printing. The voltage standing wave ratio and radiation patterns are tested after adding the newly designed feed structure. Results shown the design process much efficient. Both antenna element and the array with good properties, which are in very good agreement with the specially mounted platform.

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

In this study novel recommendations are presented and substantiated for selecting the number of modes and optical thicknesses of flat lattice slabs that make up the microreliefs, which minimize the computational complexity of the rigorous coupled-wave analysis calculation of the diffraction efficiency (DE) of a sawtooth two-layer two-relief microstructure, while maintaining the specified reliability of the calculation results. The computational complexity can be controlled by allowing one or another level of oscillation of the DE curves depend on the angle of incidence of the radiation incident on the microstructure. In particular, the complexity of the multi-thousand DE calculations in the optimization process can be reduced by using the proposed methodology as well as increased computational complexity to certify the accuracy of the solution obtained as a result of implemented optimization.

Ensuring a protection scheme in DC distribution is more difficult to achieve against pole-to-ground fault than in AC distribution system because of the absence of zero crossing points and low line impedance. To complement the major obstacle of limiting the fault current, several compositions have been proposed related to mechanical switching and solid-state switching. Among them, solid-state circuit breakers(SSCBs) are considered a possible solution to limit fast fault current. However, they may cause problems in circuit complexity, reliability and cost-related troubles due to the use of multiple power semiconductor devices and additional circuit configuration to commutate current. This paper proposes the SSCB with a coupled inductor(SSCB-CI) which has symmetrical configuration. The circuit is comprised of passive components like commutation capacitors, a CI and damping resistors. Thus, proposed SSCB-CI offers the advantages of simple circuit configuration and fewer utilized power semiconductor devices than another typical SSCBs in LVDC microgrid. For analysis, six operation states are described for the voltage across main switches and fault current. The effectiveness of the SSCB-CI against a short-circuit fault is proved via simulation and experimental results in a lab-scale prototype.

Gut microbiota and its metabolites like short chain fatty acids (SCFAs) are linked with pathology of Alzheimer’s disease (AD)- a debilitating public health problem in older adults. However, strategies to beneficially modulate gut microbiota and its sensing signaling pathways remain largely unknown. Here, we screened, validated and established the agonists of free fatty acid receptor 2 (FFAR2) signaling, which senses beneficial signals from SCFAs produced by microbiota in the gut. We demonstrated that inhibition of FFAR2 signaling increases amyloid-beta (Aβ) stimulated neuronal toxicity. Thus, we screened FFAR2 agonists, using in-silico library of more than 144,000 natural compounds, and 15 compounds were selected based on binding with FFAR2 agonist sites. Further, cell culture toxicity and FFAR2 stimulatory experiments demonstrated that Fenchol (a natural compound commonly present in basil) was potent FFAR2 agonist in neuronal cells. Interestingly, we also demonstrated that Fenchol protects Aβ-stimulated neurodegeneration in FFAR2 dependent manner. In addition, Fenchol reduced AD like phenotypes such as Aβ-accumulation and, learning and memory behaviors in Caenorhabditis (C.) elegans. Fenchol increased Aβ-clearance by increasing proteasome/lysosome activity and reduced senescence in neuronal cells. These results demonstrated that the inhibition of FFAR2 signaling promotes Aβ-induced neurodegeneration, while activating it by Fenchol as a natural agonist reverse it by promoting Aβ-clearance and reducing cellular senescence; thus stimulation of FFAR2 signaling can be a therapeutic approach to prevent/ treat AD.

In this paper, we investigate the accuracy and robustness of three classes of methods for solving two-phase incompressible flows on a staggered grid. Here, the unsteady two-phase flow equations are simulated by finite volumes and penalty methods using implicit and monolithic approaches (such as the augmented Lagrangian and the fully coupled methods), where all velocity components and pressure variables are solved simultaneously (as opposed to segregated methods). The interface tracking is performed with a Volume-of-Fluid (VOF) method, using the Piecewise Linear Interface Construction (PLIC) technique. The home code Fugu is used for implementing the various methods. Our target application is the simulation of two-phase flows at high density and viscosity ratios, which are known to be challenging to simulate. The resulting strategies of monolithic approaches will be proven to be considerably better suited for these two-phase cases, they also allow to use larger time step than segregated methods.

In order to clarify the nature of the halogen bond (XB), we considered the prototype noble gas – dihalogen molecule (Ng-X2) systems, focusing on the nature, range and strength of the interaction. We exploited data gained from molecular beam scattering experiments with the measure of interference effects to obtain a suitable formulation of the interaction potential, with the support of high-level ab initio calculations, and charge displacement analysis. The essential interaction components involved in the Ng-X2 adducts have been characterized, pointing at their critical balance in the definition of the XB. Particular emphasis is devoted to the energy stability of the orientational Ng-X2 isomers, the barrier for the X2 hindered rotation, and the influence of the X2 electronic state. The present integrated study returns reliable force fields for molecular dynamics simulations in Ng-X2 complexes that can be extended to systems with increasing complexity and whose properties depend on the selective formation of XB.

Peptidergic GPCR systems are broadly distributed in the human body and regulate numerous physiological processes by activating complex networks of intracellular biochemical events responsible for cell regulation and survival. Their failure due to overaction, ill-function, or blockade gives rise to cell disturbances, eventually causing disease if compensatory mechanisms do not suffice. Revision of updated experimental research provided an evident relationship associating peptidergic GPCR malfunction with tumor formation and maintenance resulting from uncontrolled cell proliferation and migration, colonization, inhibition of apoptosis or altered metabolism, and increased angiogenesis in tumoral tissues. Determination of the implication of GPCR peptide signaling in specific neoplasia is crucial to designing tailored pharmacological treatments to counteract or dismantle the origin of the signaling circuitry causing cellular disruption. In some cases, particular ligands for these receptors may serve as concomitant treatments to aid other pharmacological or physical approaches to eradicate neoplasias.

Building a new-type power system is the key core of the green and low-carbon development of energy, the restructuring of the power system will inevitably have a linked impact on the coordinated development of the economy-energy-environment (3E) system. This paper constructs a "Dual-Triangle" theoretical framework consisting of the “Energy Trilemma” and the "Sustainable Development Triangle", by combining historical statistical analysis with scenario predictive analysis, analyzes the historical characteristics of the "Dual Triangle" and future development trends under different scenarios, and studies the coupled interaction relationship of the "Dual-Triangle" to explore the optimal transformation path of the power system that is most beneficial to the coordinated development of the 3E system. The conclusions are as follows: (1) The energy system gradually inclined towards economy and cleanliness from 2010 to 2022, the level of coordinated development of the 3E system fluctuated upwards, and the operation status of the "Dual Triangle" was stable. (2) Positive coupling relationship between "Dual Triangle" of scenario S1 is close, which can be regarded as the preferred path for the reconstruction of the power system. Due to phased development has clear development priorities, scenario S2 will artificially break the balance of the “Energy Trilemma”, which is a development model that dynamically mitigates the challenges of the “Energy Trilemma”.(3)The contradiction between economy and cleanliness is continuously weakened, and security has become the core contradiction of the "Impossible Triangle". The combination of renewable energy and energy storage is the key to resolving this contradiction. This paper conducts an integrated and innovative application of the "Dual-Triangle" theory, and the results provide a case basis for how to achieve the coupled interaction of the "Dual-Triangle", promote high-quality energy development, and support the sustainable development of the economy and society.

Ultra-low radioactive titanium alloy is a promising material for the manufacture of low-background detectors, which are being developed for experiments in astroparticle physics and neutrino astrophysics. Structural titanium is manufactured on an industrial scale from titanium-sponge. The ultra-low-background titanium-sponge can be produced on an industrial scale with a contamination level of less than 1 mBq/kg of uranium and thorium isotopes. The pathways of contaminants during the industrial production of structural titanium have been analyzed. The measurements have been carried out using two methods: inductively coupled plasma spectroscopy (ICP-MS) and gamma-spectroscopy using high-purity germanium detectors (HPGe). It has been shown that the level of contamination with radioactive impurities does not increase during remelting of titanium-sponge and mechanical processing. We examined titanium-alloys samples obtained at different stages of titanium production, namely, an electrode compaction, a vacuum arc remelting with a consumable electrode (VAR), and a cold rolling of titanium-sheets. It has been found out that all studied samples will be a source of uranium and thorium contamination of the final titanium-alloys. It has been established that the only product allowed obtaining ultra-low-background titanium was the VT1-00 which is manufactured without master alloys addition..

Resource conflicts represent a significant global challenge in regions abundant with natural re-sources. Modelling the myriad factors driving natural resource-based conflicts (NRBCs), spanning environmental, health, socio-economic, and political dimensions, is a complex endeavor exacer-bated by data scarcity. Furthermore, existing quantitative studies often focus solely on large-scale conflicts. This article introduces a novel algorithm, the Spatially Explicit Fuzzy Logic-Adapted Model for Conflict Management (SEFLAME-CM), which integrates the local knowledge of stakeholders into spatial decision-making technologies to support sustainable peace efforts. The results are validated with spatial multi-criteria evaluation (SMCE) using spatial statistics. The Moran’s I scatter plots for the overall conflicts reveal significant values of 0.99 and 0.98 for both the SEFLAME-CM and SMCE, respectively, with significant spatial autocorrelation. While there re-mains room for improvement in enhancing the model's quality, SEFLAME-CM demonstrates its capacity to transparently model complex real-world problems. The findings underscore the im-perative for a holistic approach to addressing environmental degradation, socio-economic, and political drivers of resource conflicts at the community level. Our paper demonstrates the signif-icance of spatial information technologies and knowledge exchange between experts and local stakeholders in effectively managing resource conflicts. These insights should inform national policies and international interventions, ensuring that the complex underlying issues are ad-dressed while prioritizing the knowledge and needs of affected communities.

SARS-CoV-2 mRNA vaccination can entail chronic fatigue/dis-autonomy tentatively termed post-acute COVID-19 vaccination syndrome (PACVS). We explored receptor autoantibodies and interleukin-6 (IL-6) as somatic correlates of PACVS. Blood markers determined before and six months after first-time SARS-CoV-2-vaccination of healthy controls (N = 89, 71 females, mean/ median age 39/ 49 years) were compared with corresponding values of PACVS-affected persons (N= 191, 159 females, mean/median age: 40/39 years) exhibiting chronic fatigue/dis-autonomy (≥ three symptoms for ≥ five months after last SARS-CoV-2 mRNA vaccination) not due to SARS-CoV-2 infection and/or confounding diseases/medications. Normal vaccination response encompassed decreases of 11 receptor-antibodies (by 25 - 50 %, p < 0.0001), increases in two receptor-antibodies (by 15 - 25 %, p < 0.0001) and normal IL-6. In PACVS, serological vaccination-response appeared significantly (p < 0.0001) altered, allowing discrimination from normal post-vaccination state (sensitivity = 90%, p &lt; 0.0001) by increased angiotensin II type 1 receptor antibodies (cut-off ≤ 10.7 U/ml, ROC-AUC = 0.824 ± 0.027), decreased alpha-2B adrenergic receptor antibodies (cut-off ≥ 25.2 U/ml, ROC-AUC = 0.828 ± 0.025) and increased IL-6 (cut-off ≤ 2.3 pg/ml, ROC-AUC = 0.850 ± 0.022). PACVS is thus indicated as a somatic syndrome delineated/detectable by diagnostic blood markers

Hydraulic fracturing has enabled production from unconventional reservoirs in the U.S., but production rates often decline sharply, limiting recovery factors to under 10%. This study optimizes the CO2 huff-n-puff process for multistage-fractured horizontal wells in Wolfcamp A formation in the Delaware Basin. The potential for enhanced oil recovery and CO2 sequestration simultaneously was addressed using a coupled geomechanics-reservoir simulation. Geomechanical properties were derived from a 1D mechanical earth model and integrated into reservoir simulation to replicate hydraulic fracture geometries. The fracture model was validated using a robust production history matching. Fluid phase behavior analysis refined the equation of state, and 1D slim tube simulations determined a minimum miscibility pressure of 4300 psi for CO2 injection. After the primary production phase, various CO2 injection rates were tested from 1 to 25 MMSCFD/well, resulting in incremental oil recovery ranging from 6.3% to 69.3%. Different injection, soaking, and production cycles were analyzed to determine the ideal operating condition. The optimal scenario improved cumulative oil recovery by 68.8% while keeping the highest CO2 storage efficiency. The simulation approach proposed by this study provides a systematic workflow for evaluating and optimizing CO2 huff-n-puff in hydraulically fractured wells, enhancing the recovery factor of unconventional reservoirs.

Background: biophysical stimulation therapy, and in particular Pulsed Electromagnetic Fields (PEMFs) and capacitively coupled electric fields (CCEFs) has significantly increased in the last twenty years. For this, it is necessary to have clear information regarding the efficacy, the therapeutic indication and the expected objectives. Methods: we conducted a narrative review taking into consideration different types of studies with different areas of application. The objective was to take into consideration and analyze the different fields of use and the relevant information present in the literature. Results: There is unanimous opinion regarding the usefulness of applying biophysical therapy on the bone compartment both in terms of the tissue healing process and the symptoms associated with this situation. Differently, but no less importantly, in the joint compartment positive opinions were observed mainly on the inflammatory and catabolic process, however, at present,we did not report evidence regarding cartilaginous tissue regeneration. Conclusion: the effectiveness of PEMFs and CCEFs on the bone healing process in the Orthopedic and Traumatology fields is consolidated evidence in the literature. We have also found positive results on symptoms and patient compliance with rehabilitation therapies. Therefore, notable application can be envisaged in the fields of Prosthetic Surgery and Sports Medicine.

An efficient design method is proposed for a compact common-mode rejection (CMR) filter utilizing dumbbell-shaped defected ground (DS-DG) structures and gap-coupled stub (GCS) resonators. A CMR filter for differential lines helps to improve the signal integrity of high-speed digital signals on printed circuit boards. The proposed CMR filter design is based on the equivalent circuit models, while the previous designs depended heavily on the DS-DG structure optimization using the EM simulations. The proposed CMR filter effectively reject the common-mode components with minimally affecting the differential signals. To prove the simplified design approach, a 5th-order Chebyshev band-stop filter has been designed with three DS-DG structures and two GCS resonators. From the simulated and measured results, it is found that the proposed CMR filter provides ~90% fractional frequency bandwidth with more than 20 dB of common-mode rejection ratio and less than 0.6 dB of insertion loss of the differential signal.

In this study, we focus on the effects of fuel bed representation and fire heat and smoke distribution in a coupled fire-atmosphere simulation platform for two landscape-scale fires: the 2018 Camp Fire and the 2021 Caldor Fire. The fuel bed representation in the coupled fire-atmosphere simulation platform WRF-Fire currently includes only surface fuels. Thus, we enhance the model by adding canopy fuel characteristics and heat release, for which a method to calculate the heat generated from canopy fuel consumption is developed and implemented in WRF-Fire. Furthermore, the current WRF-Fire heat and smoke distribution in the atmosphere is replaced with a heat-conserving Truncated Gaussian (TG) function and its effects are evaluated. The simulated fire perimeters of case studies are validated against semi-continuous, high-resolution fire perimeters derived from NEXRAD radar observations. Furthermore, simulated plumes of the two fire cases are compared to NEXRAD radar reflectivity observations followed by buoyancy analysis using simulated temperature and vertical velocity fields. The results show that while the improved fuel bed and the TG heat release scheme have small effects on the simulated fire perimeters of the wind-driven Camp Fire, they affect the propagation direction of the plume-driven Caldor Fire, leading to better-matching fire perimeters with the observations. However, the improved fuel bed representation together with the TG heat smoke release scheme leads to more realistic plume structure in comparison to the observations in both fires. The buoyancy analysis also depicts more realistic fire-induced temperature anomalies and atmospheric circulation when the fuel bed is improved.

Taste signaling is a complex process that is linked to obesity and its associated metabolic syndromes. The sweet taste is mediated through a heterodimeric G protein coupled receptor (GPRC) in a species-specific manner and at multi-tissue specific levels. The sweet receptor recognizes a large number of ligands with structural and functional diversities to modulate different amplitudes of downstream signaling pathway(s). The human sweet-taste receptor has been extremely difficult to study by biophysical methods due to inadequate methods for producing large homogeneous quantities of the taste-receptor protein and a lack of reliable in vitro assays to precisely measure productive ligand binding modes leading to activity upon their interactions with the receptor protein. We report a multimodal high throughput assays to monitor ligand binding, receptor stability and conformational changes to model the molecular interactions between ligand-receptor. We applied saturation transfer difference nuclear magnetic resonance spectroscopy (STD-NMR) complemented by differential scanning calorimetry (DSC), circular dichroism (CD) spectroscopy, and intrinsic fluorescence spectroscopy (IF) to characterize binding interactions. Our method using complementary NMR and biophysical analysis is advantageous to study the mechanism of ligand binding and signaling processes in other GPCRs.