Research shows that in earthquakes the ground response changes in areas where there are underground cavities. Due to the fact that subways and underground tunnels pass from beneath buildings in urban areas, these changes in ground response have a direct impact on the seismic behavior of structures. In this study, first by model validity and reliability of the results, steel structures modeling was conducted and steel structure behavior was evaluated due to Tunnel-Soil-Structure seismic interaction. Parameters studied are number of stories, soil type, tunnel depth, horizontal tunnel-structural distance and dynamic loading. Considering that one of the most important parameters of structural control is drift and story displacement, so this important factor will be considered. The results show that tunneling has a direct effect on the rate of structural displacement and increases the structural response. Also, the behavior of the structure is affected by the position of the structure at the ground level and the position of the tunnel and this should be considered during the design phase of the structures.

That form and function relates, is the maxim to anatomy and physiology. Yet form-function relations can be difficult to establish. Human subjects with excessive trabeculated myocardium in the left ventricle, for example, are diagnosed with non-compaction cardiomyopathy, but the extent of trabeculations may be without relation to ejection fraction. Rather than rejecting a relation between form and function, we may ask whether the salient function is assessed; is there a relation to electrical propagation, mean arterial blood pressure, propensity to form blood clots, or all? And how should extent of trabeculated muscle be assessed? While reviewing literature on trabeculated muscle, we applied Tinbergen’s four types of causation - how does it work, why does it work, how is it made, and why did it evolve - to better parse what is meant by form and function. The paper is structured around cases that highlight advantages and pitfalls of applying Tinbergen’s questions. It further uses the evolution of lunglessness in amphibians to argue lung reduction can impact on chamber septation, and it considers the evolution of an arterial outflow in fishes to argue that reductions in energy consumption may drive structural changes with little consequences to function. Concerning trabeculations, we argue they relate to pump function in the embryo in the couple of weeks before the onset of coronary circulation. In fetal and postnatal stages, a spectrum of trabeculated-to-compact myocardium makes no difference to cardiac function and in this period form and function may appear unrelated.

CoO-ZnO-based composites have attracted considerable attention for the development of energy storage devices because of their multifunctional characterization and ease of integration with existing components. This paper reports the synthesis of CoO@ZnO (CZ) nanostructures on Ni foam by the CBD method for facile and eco-friendly supercapacitor applications. The formation of a CoO@ZnO electrode functioned with cobalt, zinc, nickel and oxygen groups was confirmed by X-ray diffraction, X-ray photoelectron spectroscopy, low and high-resolution of scanning electron microscopy, and transmission electron microscopy. The as-synthesized hierarchical nanocorn skeleton-like structure of CoO@ZnO-3h (CZ3h) electrode delivered a higher specific capacitance of 1136 F/g at a current density of 3 A/g with outstanding cycling stability, showing 98.3% capacitance retention over 3000 cycles in an aqueous 2 M KOH electrolyte solution. This retention was significantly better than that of other prepared electrodes, such as CoO (CO), ZnO (ZO), CoO@ZnO-1h (CZ1h), and CoO@ZnO-7h (CZ7h) (274, 383, 240 and 537 F/g, respectively). This superior capacitance was attributed to the ideal surface morphology of CZ3h, which is responsible for the rapid electron/ion transfer between the electrolyte and electrode surface area. The enhanced features of the CZ3h electrode highlight potential applications in high performance supercapacitors, solar cells, photocatalysis, and electrocatalysis.

Capirona (Calycophyllum spruceanum Benth) is a tree species of commercial importance widely distributed in South American forests and is traditionally used for its medicinal properties and wood quality. Studies on this tree species have been focused mainly on wood properties, propagation and growth. Genetic studies on capirona are very limited to date. Today it is possible to explore genetic diversity and population structure in a fast and reliable manner by using molecular markers. We here used 10 Random Amplified Polymorphic DNAs (RAPDs) markers to analyze genetic diversity and population structure of 59 samples of capirona that were sampled from four provinces located in the eastern region of the Peruvian amazon. A total of 186 bands were manually scored, generating a 59 x 186 presence/absence matrix. We used R software to calculate genetic distances based on provesti coefficient. A dendrogram was generated using the UPGMA clustering algorithm and showed four groups that correspond to the geographic origin of the capirona samples. Similarly, a discriminant analysis of principal components (DAPC) confirmed that capirona is grouped into four clusters. However, we also noticed few accessions are intermingled. Genetic diversity estimation was conducted considering the four groups (populations) identified by adegenet package in R. Nei's genetic diversity estimate varied from 0.26 to 0.39 and Shannon index ranged from 2.48 to 2.83. AMOVA analysis revealed the greatest variation exist within populations (69.7%) and indicated that variability among populations is 31.5%. To our best knowledge, this is the first investigation employing molecular markers in capirona in Peru considering their natural distribution, and sheds light towards its modern genetic improvement and for the sustainable management of forests in Peru.

Sustainability is directly linked to firms’ survival in competitive markets. To survive, firms need extra capital, and seasoned equity offerings (SEOs) are one sustainability strategy. Additional resources from SEOs leads to changes in firms’ operational structure, which brings future sustainability. This study investigates whether there is sustainability in firms’ operational structure and the effects of sustainable development on operational performance and market reaction. We measure the operational structure change of firms as three proxies: 1) the rate of increase in the number of operating segments, 2) the Berry–Herfindahl index using the ratio of sales of each operating segment out of total sales, and 3) the size of net investment in plant and equipment. Our results show that operational structure change has a statistically significant and positive correlation with long-term operating performance. In addition, there is no significant stock price response at first, but the operating performance in the next term is perceived as a favorable factor after 3 years. The results show that there are different responses in the stock market toward operational structure change. The empirical results confirm that firms with SEO have sustainable development in operational structure and that markets recognize firms’ sustainability strategy arising from SEOs.

Tissue engineering has the potential for repairing large bone defects, which impose a heavy financial burden on the public health. However, difficulties with O₂ delivery to the cells residing in the interior of tissue engineering scaffolds make it challenging to grow artificial tissues of clinically-relevant sizes. This study uses image-based simulation in order to provide insight into how to better optimize the scaffold manufacturing parameters, and the culturing conditions, in order to resolve the O₂ bottleneck. To do this, high resolution 3D X-ray images of two common scaffold types (salt leached foam and non-woven fiber mesh) are fed into a Lattice Boltzmann Method fluid dynamics and reactive Lagrangian Scalar Tracking mass transfer solvers. The obtained findings indicate that the scaffolds should have maximal surface area-to-solid volume ratios, for higher chances of the molecular collisions with the cells. Furthermore, the cell culture media should be flown through the scaffold pores as fast as practically possible (without detaching or killing the cells). Finally, we have provided a parametric sweep that maps how the molecular transport within the scaffolds is affected by variations in rates of O₂ consumption by the cells. Ultimately, the results of this study are expected to benefit the computer-assisted design of tissue engineering scaffolds and culturing experiments.

The prevalence of internet gaming disorders (IGD) is considerably high among youth, especially with social isolation imposed by the ongoing COVID-19 pandemic. IGD adversely affects mental health, quality of life, and academic performance. The Internet Gaming Disorder Scale (IGDS9-SF) is designed to detect IGD according to DSM-IV diagnostic criteria. However, inconsistent results are reported on its capacity to diagnose IGD evenly across different cultures. To ensure the suitability of the IGDS9-SF as a global measure of IGD, this study examined the psychometric properties of the IGDS9-SF in a sample of Sri Lankan university students (N = 322, mean age =17.2 ± 0.6, range = 16-18 years, 56.5% males) and evaluated its measurement invariance across samples from Sri Lanka, Turkey, Australia, and the USA. Among Sri Lankan students, a unidimensional structure expressed good fit, invariance across different groups (e.g., gender, ethnicity, and income), adequate criterion validity (strong correlation with motives of internet gaming, daily gaming duration, and sleep quality), and good reliability (alpha = 0.81). Males and online multiplayers expressed higher IGD levels, greater time spent gaming, and more endorsement of gaming motives (e.g., Social and Coping) than females and offline players. Across countries, the IGDS9-SF was invariant at the configural, metric, and scalar levels, albeit strict invariance was not maintained. The lowest and highest IGD levels were reported among Turkish and American respondents, respectively. In conclusion, the IGDS9-SF can be reliably used to measure IGD among Sri Lankan youth. Because the scale holds scalar invariance across countries, its scores can be used to compare IGD levels in the studied countries.

The colossal depths of the deep neural network sometimes suffer from ineffective backpropagation of the gradients through all its depths. Whereas, The strong performance of shallower multilayer neural structures prove their ability to increase the gradient signals in the early stages of training which easily gets backpropagated for global loss corrections. Shallow neural structures are always a good starting point for encouraging the sturdy feature characteristics of the input. In this research, a shallow, deep neural structure called PrimeNet is proposed. PrimeNet is aimed to dynamically identify and encourage the quality visual indicators from the input to be used by the subsequent deep network layers and increase the gradient signals in the lower stages of the training pipeline. In addition to this, the layerwise training is performed with the help of locally generated errors which means the gradient is not backpropagated to previous layers, and the hidden layer weights are updated during the forward pass, making this structure a backpropagation free variant. PrimeNet has obtained state-of-the-art results on various image datasets, attaining the dual objective of (1) compact dynamic deep neural structure, which (2) eliminates the problem of backwards-locking. The PrimeNet unit is proposed as an alternative to traditional convolution and dense blocks for faster and memory-efficient training, outperforming previously reported results aimed at adaptive methods for parallel and multilayer deep neural systems.

To understand the relationship between water permeability and the pore structure of cementitious materials, literature that studied both water permeability and the pore structure are reviewed, and their correlation is studied. Although the majority of this data is for cement paste, mortar, concrete, and cemented soil are also included. Based on this study, it is established the determination coefficient between water permeability and the total pore volume is very low; however, those between water permeability and the critical, threshold, and median pore diameters, respectively, are moderate. On the other hand, the threshold pore diameter, derived based on the percolation theory, exhibits a very high determination coefficient. The calculated water permeability, using the Katz and Thompson equation, agrees with the reported water permeability quantitatively to a certain level, but is overestimated.

We develop an action principle to construct the field equations for dissipative/resistive general relativistic two-temperature plasmas, including a neutrally charged component. The total action is a combination of four pieces: an action for a multi-fluid/plasma system with dissipation/resistivity and entrainment; the Maxwell action for the electromagnetic field; the Coulomb action with a minimal coupling of the four-potential to the charged fluxes; and the Einstein-Hilbert action for gravity (with the metric being minimally coupled to the other action pieces). We use a pull-back formalism from spacetime to abstract matter spaces to build unconstrained variations for the neutral, positively, and negatively charged fluid species and for three associated entropy flows. The full suite of field equations is recast in the so-called ``$3 + 1$'' form (suitable for numerical simulations), where spacetime is broken up into a foliation of spacelike hypersurfaces and a prescribed ``flow-of-time''. A previously constructed phenomenological model for the resistivity is updated to include the modified heat flow and the presence of a neutrally charged species. We impose baryon number and charge conservation as well as the Second Law of Thermodynamics in order to constrain the number of free parameters in the resistivity. Finally, we take the Newtonian limit of the ``$3 + 1$'' form of the field equations which can be compared to existing non-relativistic formulations. Applications include main sequence stars, neutron star interiors, accretion disks, and the early universe.

In this study, an optimization of the first blade in new test rig presented. Blade tuning is conducted using 3D geometrical parameters. Sweep and dihedral play an essential role in this study. Compressor characteristics and blades vibrational behavior are the main objective of the evaluation. Here, the attachments are designed to isolate blade dynamics from Disk. So, the Vibrational behaviors of the one's blade are tuned based on the self-excited and forced vibration phenomenon. Using a semi analytical MATLAB code instability conditions are satisfied. The code takes advantages of whitehead and force response theory to predict classically and stall flutter speeds. Beside, Forced vibrations instability is controlled using a theory presented by Campbell. Aerodynamics of new blade geometry determined using multistage simulations Computational fluid dynamics (CFD) software. Numerical results show increasing performance near the surge line and working interval along with increasing mass flow.

The potential to affect gene expression via G-quadruplex stabilization has been extended to all domains of life, including viruses. Here, we investigate the polymorphism and structures of G-quadruplexes of the human papillomavirus type 52 with UV, CD and NMR spectroscopy and gel electrophoresis. We show that oligonucleotide with five G-tracts folds into several structures and that naturally occurring single nucleotide polymorphisms (SNPs) have profound effects on the structural polymorphism in the context of G-quadruplex forming propensity, conformational heterogeneity and folding stability. With help of SNP analysis, we were able to select one of the predominant forms, formed by G-rich sequence d(G3TAG3CAG4ACACAG3T). This oligonucleotide termed HPV52(1-4) adopts a three G-quartet snap back (3+1) type scaffold with four syn guanine residues, two edgewise loops spanning the same groove, a no-residue V loop and a propeller type loop. The first guanine residue is incorporated in the central G-quartet and all four-guanine residues from G4 stretch are included in the three quartet G-quadruplex core. Modification studies identified several structural elements that are important for stabilization of the described G-quadruplex fold. Our results expand set of G-rich targets in viral genomes and address the fundamental questions regarding folding of G-rich sequences.

Advances in next-generation sequencing have facilitated the discovery of a multitude of long non-coding RNAs (lncRNAs) with pleiotropic functions in cellular processes, disease and viral pathogenesis. It came as no surprise when viruses were also revealed to transcribe their own lncRNAs. Among them, gammaherpesviruses, one of the three subfamilies of the Herpesviridae, code their largest number. These structurally and functionally intricate non-coding (nc) transcripts modulate cellular and viral gene expression to maintain viral latency or prompt lytic reactivation. The lncRNAs allow the virus to escape cytosolic surveillance, sequester and re-localize essential cellular factors and modulate the cell cycle and proliferation. Some viral lncRNAs act as “messenger molecules”, transferring information about viral infection to neighboring cells. This broad range of lncRNA functions is achieved through lncRNA structure-mediated interactions with effector molecules of viral and host origin, including other RNAs, proteins and DNAs. In this review, we discuss examples of gammaherpesvirus-encoded lncRNAs, emphasize their unique structural attributes, and link them to viral life cycle, pathogenesis and disease progression. We will address their potential as novel targets for drug discovery and propose future directions to explore lncRNA structure and function relationship.

Nickel nitrate diammine, Ni(NH₃)₂(NO₃)₂, can be synthesised from the thermal decomposition of the nickel nitrate hexammine, Ni[(NH₃)₆](NO₃)₂. The hexammine decomposes in 2 distinct steps; the first releases 4 equivalents of ammonia while the second involves the release of NO_x, N₂ and H₂O to yield NiO. The intermediate diammine compound can be isolated following the first deammoniation step or synthesised as a single phase from the hexammine under vacuum. Powder X-ray diffraction (PXD) experiments have allowed the structure of Ni(NH₃)₂(NO₃)₂ to be solved for the first time. The compound crystallises in orthorhombic space group Pca2₁ (a = 11.0628 (5) Å, b = 6.0454 (3) Å, c = 9.3526 (4) Å; Z = 4) and contains 11 non-hydrogen atoms in the asymmetric unit. Fourier Transform Infrared (FTIR) spectroscopy demonstrates that the bonding in the ammine is consistent with the structure determined by PXD.

The combination of artificial intelligence algorithms and numerical methods has recently become popular in the prediction of macroscopic and microscopic hydrodynamics parameters of bubble column reactors. The multi inputs and outputs machine learning can cover small phase interactions or large fluid behavior in industrial domains. This numerical combination can develop the smart multiphase bubble column reactor with the ability of low-cost computational time. It can also decrease case studies for the optimization process when big data is appropriately used during learning. There are still many model parameters that need to be optimized for a very accurate artificial algorithm, including data processing and initialization, the combination of inputs and outputs, number of inputs and model tuning parameters. For this study, we aim to train four inputs big data during learning process by an adaptive neuro-fuzzy inference system or adaptive-network-based fuzzy inference system (ANFIS) method, and we consider the superficial gas velocity as one of the input variables, while for the first time, one of the computational fluid dynamics (CFD) outputs named gas velocity is used as an output of the artificial algorithm. The results show that the increasing number of input variables improves the intelligence of the ANFIS method up to , and the number of rules during learning process has a significant effect on the accuracy of this type of modeling. The results also show that propper selection of model parameters results in more accuracy in prediction of the flow characteristics in the column structure.

The welding performance of shipbuilding steel under large heat input could be improved greatly by the Mg addition to the steel, but the impact toughness of the HAZ is not stable. According to the three different thickness steel plates obtained in the industrial experiment, the large heat input welding was carried out by different heat input, and the impact toughness analysis, impact fracture analysis, metallographic microstructure analysis and inclusions analysis were carried out. The results showed that, the HAZ of three kinds of thickness plates induced a lot of IAF, with Mg addition, the inclusion dimension had been reduced effectively, and the IAF induced ability of the inclusions had also been improved. The difference of HAZ impact toughness with different welding heat input and different impact temperature is significant, in consideration of the influence of welding heat input and metallographic microstructure on impact toughness of HAZ, the welding heat load had far greater effect than metallographic microstructure on ductile-brittle transition temperature. At the same time, if the original metallographic microstructure of steel was coarse, the pinning effect of the inclusions would be reduced significantly, and the microstructure of HAZ would be coarsened and the impact toughness of HAZ would be decreased, so there is a certain matching relationship between the metallographic microstructure and the inclusion dimension.

Introduction: multiple sclerosis (MS) is the most common immune-mediated chronic neurodegenerative disease of the central nervous system (CNS), affecting young people. Due to the permanent disability, cognitive impairment, and the enormous detrimental impact MS can exert on the patients’ health-related quality of life. It is of great importance to recognise it in time and commence adequate treatment at an early stage. The currently used disease-modifying therapies (DMT) aim to reduce disease activity and thus halt disability development, which in current clinical practice are monitored by clinical and imaging parameters but not by biomarkers found in blood and/or the cerebrospinal fluid (CSF). Both clinical and radiological measures routinely used to monitor disease activity lack information on the fundamental pathophysiological features and mechanisms of MS. Furthermore, they lag behind the disease process itself. By the time a clinical relapse becomes evident or a new lesion appears on the MRI scan, potentially irreversible damage has already occurred in the CNS. In recent years several biomarkers that previously have been linked to other neurological and immunological diseases have received increased attention in MS. Additionally, other novel, potential biomarkers with prognostic and diagnostic properties have been detected in the CSF and blood of MS patients. Areas covered: in this review, we summarise the most up to date knowledge and research conducted on the already known and most promising new biomarker candidates found in the CSF and blood of MS patients. Author commentary: the current diagnostic criteria of MS rely on three pillars; MRI imaging, clinical events and the presence of oligoclonal bands in the CSF (which was reinstated into the diagnostic criteria by the most recent revision). Even though the most recent McDonald criteria made the diagnosis of MS faster than the prior iteration, it is still not an infallible diagnostic toolset, especially at the very early stage of clinically isolated syndrome. Together with the gold standard MRI and clinical measures, ancillary blood and CSF biomarkers may not just improve diagnostic accuracy and speed but very well may become agents to monitor therapeutic efficacy and make even more personalised treatment in MS a reality in the near future. The major disadvantage of these biomarkers in the past has been the need to obtain CSF to measure them. However, the recent advances in extremely sensitive immunoassays made their measurement possible from peripheral blood even when present only in minuscule concentrations. This should mark the beginning of a new biomarker research and utilisation era in MS.

Calculation of the pressure field on and around solid bodies exposed to external flow is of paramount importance to a number of engineering applications. However, conventional pressure measurement techniques are inherently linked to problems principally caused by their point-wise and/or intrusive nature. In the present paper, we attempt to calculate the time-averaged two-dimensional pressure field by integrating PIV (Particle Image Velocimetry) velocity measurements into a CFD code and modifying them by the respective correction step of the SIMPLE algorithm. Boundary conditions are applied from the PIV data as a three-layer area of constant velocities, adjacent to the boundaries. A novel characteristic of the approach is the straightforward inclusion of the Reynolds Stresses into the source terms of the momentum equations, calculated directly from the PIV statistics. The methodology is applied to three regions of the symmetry plane parallel to the main boundary layer flow past a surface mounted cube. In spite of findings of deviations from the planar 2D flow assumption, the derived pressure fields and the adjusted velocity fields are found to be reliable, while the intrinsic turbulent nature of the flow is considered without modelling of the Reynolds stresses.

Debris-covered glaciers are a notable feature in the greater Himalaya, and their ongoing mass loss under changing climate will affect the water resources of over a billion people. The current knowledge of the mass balance of Himalayan glaciers is restricted by the paucity of in-situ measurements of glaciers in both space and time, as well as the resolution of satellite remote sensing imageries. Recently, the use of Unmanned Aerial System (UAS) imagery has shown the potential to bridge this gap by enabling very detailed monitoring of inaccessible glacial areas. UAS imagery-based monitoring of Himalayan glaciers has so far been limited to a single glacier in the entire Himalaya, providing a limited understanding of spatial variability in glacier mass balance and driving factors. In the first UAS based glacial mass change estimation in the trans-Himalaya, we conducted two Unmanned Aerial System (UAS) surveys (May and November 2019) over the debris-covered Annapurna III glacier in the Himalaya. We performed Structure-from-Motion (SfM) analysis and utilized differential GPS field observations to derive geometrically accurate point clouds, ortho-mosaics and digital surface models (DSMs). The glacial volumetric loss was estimated from DSM differencing, and the magnitude and spatial variability of glacier surface change was derived from 3-D differencing of point clouds. Results revealed a heterogeneous glacial melt pattern, with an average elevation loss of 0.89 m during the monitored time period. The majority of the glacial tongue exhibited surface lowering except the area above and around the glacial snout that surprisingly exhibited significant elevation gain. Both the highest magnitude of mass loss and the highest spatial variability in mass change was observed in areas with exposed ice-cliffs and supraglacial ponds. Glacial surface velocity derived from manual feature tracking showed velocity ranging from 0-4.1 m. A detailed evaluation of specific areas allowed an improved understanding of the complex interplay of factors leading to observed surface change. Our findings expand the extent of UAS based monitoring of debris-covered glaciers in the Himalaya and conclude that UAS derived 3D topographic products will become increasingly important for monitoring of thinning debris-covered glaciers.

The dynamic development of electromobility poses challenges to designers regarding not only the efficiency of energy transformation but also the battery life, which is influenced by the stability of its operating temperature. Designing cooling systems is connected not only with the optimization of energy management but also with other environmental parameters, such as noise emission. The paper presents the numerical optimization of an innovative radiator for use in electric buses in terms of energy consumption and noise emission. The results of the numerical studies were verified in laboratory and field conditions, showing a very good convergence of the model with the results of the experiments.

Storing scientific data on the file system in a meaningful and transparent way is no trivial task. In particular when the data have to be accessed after their originator has left the lab the importance of a standardized file structure cannot be underestimated. It is desirable to have a structure that allows for the unique categorization of all kinds of data from experimental results to publications. It has to be accessible to a broad variety of workflows, e.g., via graphical user interface as well as via command line, in order to find widespread acceptance. Furthermore, the inclusion of already existing data has to be as simple as possible. We propose a three-level structure to organize and store scientific data that incorporates the full chain of scientific data management from data acquisition to analysis to publications. Metadata are saved in a standardized way and connect original data to analyses and publication as well as to their originators. A simple software tool to check a file structure for compliance with the proposed structure is presented.

With the increased use of laterite nickel ore, the impact of high Al2O3 slag on blast furnace smelting has gradually increased. In this paper, the effects of slag basicity and Al2O3 content on slag viscosity and enthalpy change under constant temperature conditions was investigated. The changes in slag structure were analyzed by activation energy and Fourier Transform Infrared (FT-IR) spectroscopy. The relationship between slag components and slag temperature and viscosity when slag heat is reduced was investigated. The results showed that the viscosity first slightly decreased and then significantly increased with increasing basicity at constant temperature. With the addition of Al2O3 content, the viscosity of the slag increases. The activation energy increases with increasing slag basicity and Al2O3. With increasing basicity, the [SiO4]4- tetrahedral unit trough depth becomes shallow, the [AlO4]5- asymmetric stretching band migrates to lower wave numbers, and the slag structure depolymerizes. With the increase of Al2O3 content, the trough of [SiO4]4- tetrahedra deepens and the center of the symmetric stretching band moves to a higher wave number. The [AlO4]5- asymmetric stretching band becomes obvious, indicating the complexity of the slag structure. When the heat decreases, the slag temperature increases as the basicity increases, and the slag thermal stability is better at the basicity of 0.95-1.05. As the Al2O3 content increases, the thermal stability of the slag becomes worse.

In this work we discuss the insights from activity landscape, docking and molecular dynamics towards the understanding of the structure-activity relationships of dual inhibitors of major epigenetic targets: lysine metiltransferase (G9a) and DNA metiltranferase 1 (DNMT1). The study was based on a novel data set of 50 published compounds with reported experimental activity for both targets. The activity landscape analysis revealed the presence of activity cliffs, e.g., pairs of compounds with high structure similarity but large activity difference. Activity cliffs were further rationalized at the molecular level by means of molecular docking and dynamics simulations that led to the identification of interactions with key residues involved in the dual activity or selectivity with the epigenetic targets.

A new strategy to nanoengineer gold/fluorocarbon multilayer (ML) nanostructures is reported. We have investigated the morphological changes occuring at the metal-polymer interface in multilayer structures with varying volume fraction of gold (Au) and the kinetic growth aspect of the microscale properties of nano-sized Au in plasma polymer fluorocarbon (PPFC). Investigations were carried out at various temperatures and annealing time by means of grazing incidence small-angle and wide-angle X-ray scattering (GISAXS and GIWAXS). We have fabricated a series of multilayers with variying volume fraction (0.12, 0.27, 0.38) of Au and bilayer periodicity in ML structure. They show an interesting granular structure consisting of nearly spherical shaped nanoparticles within the polymer layer. The nanoparticle (NP) morphology changes due to the collective effects of NPs diffusion within ensembles in the in-plane vicinity and inter-layer with increasing temperature. The in-plane NPs size distinctly increases (from 1.9 to 4 nm) with increasing temperature. The NPs become more spherical thus reducing the surface energy. Linear growth of NPs with temperature and time shows diffusion-controled growth of NPs in the ML structure. The structural stability of the multilayer is controlled by the volume ratio of the metal in polymer. At room temperature UV-Vis shows a blueshift of the plasmon peak from 560 nm in ML Au/PTFE_1 to 437 nm in Au/PTFE_3. We have identified the fabrication and post-deposition annealing conditions to limit the Local Surface Plasmon resonance (LSPR) shift (from 〖∆λ〗_LSPR=180 nm (Au/PTFE_1) to 〖∆λ〗_LSPR=67 nm (Au/PTFE_3 ML)) and their optical response over a wide visible wavelength range. A variation in the dielectric constant of the polymer in precence of varying Au inclusion is found to be the main factor affecting the LSPR frequency. Our finding may provide insights in Nano engineering ML structure can be useful to systematically control the growth of NPs in polymer matrix.

In this work, an evaluation and quantification of the impact of using mixtures based on Supercritical Carbon Dioxide "s-CO2" (s-CO2/COS, s-CO2/H2S, s-CO2/NH3, s-CO2/SO2) are made as a working fluid in simple and complex recompression Brayton s-CO2 power cycles configurations that have pressure drops in their components. These cycles are coupled to a solar thermal plant with parabolic-trough collector (PTC) technology. The methodology used in the calculation performance is to establish values of the heat recuperator total conductance (UAtotal) between 5 and 25 MW/K. The main conclusion of this work is that the cycle's efficiency has improved due to s-CO2 mixtures as working fluid; this is significant compared to that obtained using the standard fluid (pure s-CO2). Furthermore, a techno-economic analysis is carried out that compares each configuration's costs using pure s-CO2 and a mixture of s-CO2/COS with a molar fraction (70/30) respectively as working fluid where relevant results are obtained. These results show that the best configuration in terms of thermal efficiency and cost is the RCC-RH for pure sCO2 with values ​​of 41.25% and 2811 $/kWe, while for the mixture sCO2/COS, the RCC-2RH configuration with values ​​of 45, 05% and 2621 $/kWe is optimal. Using the mixture costs 6.75% less than if it is used the standard fluid (s-CO2).

The past years saw the rise of genomic biobanks and mega-scale meta-analysis of genomic data that promise to reveal the genetic underpinnings of health and disease. However, the over-representation of Europeans in genomic studies not only limit the global understanding of disease risk and intervention efficacy, but also inhibit viable research into the genomic differences between carriers and patients. Whilst the community has agreed that more diverse samples are required, it is not enough to blindly increase diversity; the diversity must be quantified, compared, and annotated to lead to insight. Genetic annotations from separate biobanks need to be comparable, computable, operate without access to raw data due to privacy concerns. But they must be comparable, both for regular research and to allow international comparison in response to pandemics. Here, we evaluate the appropriateness of commonly used genomic tools used to depict population structure in a standardized and comparable manner. The end goal is to reduce the effects of confounding and learn from genuine variation in genetic effects on phenotypes across populations, which will improve the value of biobanks, locally and internationally, increase the accuracy of association analyses, and inform developmental efforts.

Spike protein is the surface glycoprotein of the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) necessary for the entry of the virus via the transmembrane receptors of the human endothelial cells of the respiratoty system for the virus to be engulfed causing COVID-19 disease after priming by type II transmembrane protease TMPRSS2 and then binding with the angiotensin-converting enzyme 2 (ACE2). Therefore, mutations and amino acid variants analysis are essential in understanding the mechanism of binding of spike protein with its receptor to have an insights on possibilities to design a peptide or nucleotide-based vaccine for COVID-19. Here, we employed Iterative Threading Assembly Refinement (I-TASSER) and Multiple Alignment using Fast Fourier Transform (MAFFT) to predict the three-dimensional monomer structure of spike protein of SARS-CoV-2 and to analyze the amino acid variants for protein sequences from GISAID database for samples collected from Jordan in a try to find an explanation for the low confirmed number of COVID-19 in Jordan. Our Protein Homology/analogY Recognition Engine V 2.0 (Phyre2) findings showed four single amino acid variants (SAV) found in 20 samples of SARS-CoV-2. What is equal to 5% of samples showed tyrosine deletion at Y144 located in the SARS-CoV-like_Spike_S1_NTD (N terminal domain), 62% showed aspartate substitution to glycine at D614G located in the SARS-CoV-2_Spike_S1_RBD (spike recognition binding site), 5% showed aspartate substitution to tyrosine at D1139Y and 5% showed glycine substitution to serine at G1167S both located in the Corona_S2 domain. The findings have shown lower mutational sensitivity in all variants that might not affect the function of spike glycoprotein except for D614G, which has the highest mutational sensitivity score (5 out of 9) indicating a higher likelihood to affect the function of the spike protein. This might suggest, in general, a reduced transmitability of SARS-CoV-2 in Jordan.

In this review, severe plastic deformation (SPD) is considered as a materials processing technology. The deformation mode is the principal characteristic differentiating SPD from common forming operations. For large plastic strains, deformation mode depends on the distribution of strain rates between continuum slip lines and can be varied from pure shear to simple shear. A scalar, invariant and dimensionless coefficient of deformation mode is introduced as a normalized speed of rigid rotation. On this basis, simple shear provides the optimum mode for structure modification and grain refinement whereas pure shear is "ideal" for forming operations. Special experiments and SPD practice confirm this conclusion. Various techniques of SPD are classified and described in accordance with simple shear realization or approximation. It is shown that correct analyses of the processing mechanics and technological parameters are essential for comparison of SPD techniques and the development of effective industrial technologies.

Background: Wheat root rot disease due to soil-borne fungal pathogens leads to tremendous yield losses worth billions of dollars worldwide every year. It is very important to study the relationship between rhizosphere fungal diversity and wheat roots to understand the occurrence and development of wheat root rot disease. Results: A significant difference in fungal diversity was observed between the diseased and healthy groups in the heading stage, but the trend was the opposite in the filling stage. The abundance of most genera with high richness decreased significantly from the heading to the filling stage in the diseased groups; the richness of approximately one-third of all genera remained unchanged, and only a few low-richness genera, such as Fusarium and Ceratobasidium, had a very significant increase from the heading to the filling stage. In the healthy groups, the abundance of most genera increased significantly from the heading to the filling stage; the abundance of some genera did not change markedly, or the abundance of very few genera increased significantly. Physical and chemical soil indicators showed that low soil pH and density, increases in ammonium nitrogen, nitrate nitrogen and total nitrogen contributed to the occurrence of wheat root rot disease. Conclusions: Our results revealed that in the early stages of disease, highly diverse rhizosphere fungi and a complex community structure can easily cause wheat root rot disease. The existence of pathogenic fungi is a necessary condition for wheat root rot disease, but the richness of pathogenic fungi is not necessarily important. The increases in ammonium nitrogen, nitrate nitrogen and total nitrogen contributed to the occurrence of wheat root rot disease. Low soil pH and soil density are beneficial to the occurrence of wheat root rot disease.

The objective of this study were to conduct association mapping for drought tolerance at the seedling stage and yield-related traits. 60 cowpea accessions were used in the study. Single-nucleotide polymorphisms (SNPs) discovered through genotyping by sequencing (GBS) were used for genotyping. Association mapping was conducted using single-marker regression (SMR) in Q Gene, and general linear model (GLM) and mixed linear model (MLM) built in TASSEL. The population of the cowpea accessions were analysed using STRUCTURE 2.3.4 and the peak of delta K in the greenhouse showed seven population types, whereas the peak of delta K in the glasshouse indicated the presence of six population types. One SNP marker, 14083649|F|0-9 was associated with NP with a p value <0.001. Fifty SNP markers were associated with PWT at p <0.001. Four SNP markers, 14074781|F|0-16, 100047392|F|0-36, 14083801|F|0-28 and 100051488|F|0-49 were associated with AVSPD at p <0.001. SNP markers, 14074781|F|0-16, 14083801|F|0-28 and 100051488|F|0-49 were associated with PL at P <0.001. Five SNP markers, 100047392|F|0-36, 14083801|F|0-28, 100072738|F|0-34, 14076881|F|0-49 and 14076881|F|0-49 were associated with PWDTH at p <0.001. The 65 SNP markers identified can be used in cowpea molecular breeding to select for AVSPD, NP, PL, PWDTH, PWT, and RR through marker assisted selection (MAS).

The need for quick and easy deflection calculations of various prefabricated slabs causes that simplified procedures and numerical tools are used more and more often. Modelling of full 3D finite element (FE) geometry of such plates is not only uneconomical but often requires the use of complex software and advanced numerical knowledge. Therefore, numerical homogenization is an excellent tool, which can be easily employed to simplify a model, especially when accurate modelling is not necessary. Homogenization allows for simplifying a computational model and replacing a complicated composite structure with a homogeneous plate. Here, a numerical homogenization method based on strain energy equivalence is derived. Using the method proposed, the structure of the prefabricated concrete slabs reinforced with steel spatial trusses is homogenized to a single plate element with an effective stiffness. There is a complete equivalence between the full 3D FE model built with solid elements combined with truss structural elements and the simplified homogenized plate FE model. The method allows for the correct homogenization of any complex composite structures made of both solid and structural elements, without the need to perform advanced numerical analyses. The only requirement is a correctly formulated stiffness matrix of a representative volume element (RVE) and appropriate formulation of the transformation between kinematic constrains on RVE boundary and generalized strains.

We present a thermodynamic approach in modeling the evolution of the universe based on a theory that space consists of energy quanta, the spaceons. From wave-particle duality, they can be treated as an ideal gas. The model is similar to the Big Bang but without Inflation. It provides an insight into the nature of dark energy and dark matter, and an explanation for the accelerated expansion of the universe. The universe started from an atomic size volume of spaceons at very high temperature and pressure. Upon expansion and cooling, phase transitions occurred resulting in the formation of fundamental particles, and matter. These nucleate and grow into stars, galaxies, and clusters due to the action of gravity. From the cooling curve of the universe we constructed a thermodynamic phase diagram of cosmic composition, from which we obtained the correlation between dark energy and the energy of space. Using Friedmann’s equations, our model fits well the WMAP data on cosmic composition with an equation of state parameter, w= -0.7. The dominance of dark energy started at 7.25 x 10⁹ years, in good agreement with BOSS measurements. The expansion of space is attributed to a scalar quantum space field. Dark Matter is identified as a plasma form of matter similar to that which existed during the photon epoch, prior to recombination. The thermodynamics of expansion of the universe was adiabatic and decelerating during the first 7 billion years after the Big Bang; it accelerated thereafter. A negative pressure for Dark Energy is required to sustain the latter. This is consistent with the theory of General Relativity and the law of conservation of energy. We propose a mechanism for the acceleration as due to consolidation of matter forming Dark Energy Stars (DES) and other compact objects. The resulting reduction in gravitational potential energy feeds back energy for the expansion. Space will continue to expand and dark energy will undergo phase transition to a Bose-Einstein condensate, a superfluid form of matter. Self-gravitation can cause a bounce and start a new Big Bang. We show how the interplay of gravitational and space forces leads to a cyclic, maybe eternal, universe.

In recent years, the biomimetic potential of lignified or partially lignified fruit pericarps has moved into focus. For the transfer of functional principles into biomimetic applications, a profound understanding of the structural composition of the role models is important. The aim of this study was to qualitatively analyse and visualize the functional morphology of the coconut endocarp on several hierarchical levels, and to use these findings for a more precise evaluation of the toughening mechanisms in the endocarp. Eight hierarchical levels of the ripe coconut fruit were identified using different imaging techniques, including light and scanning electron microscopy as well as micro-computer-tomography. These range from the organ level of the fruit (H0) to the molecular composition (H7) of the endocarp components. A special focus was laid on the hierarchical levels of the endocarp (H3-H6). This investigation confirmed that all hierarchical levels influence the crack development in different ways and thus contribute to the pronounced fracture toughness of the coconut endocarp. By providing relevant morphological parameters at each hierarchical level with the associated toughening mechanisms, this lays the basis for transferring those properties into biomimetic technical applications.

The Finite size Lyapunov exponent (FSLE) has been used extensively since the late 1990’s to diagnose turbulent regimes from Lagrangian experiments and to detect Lagrangian coherent structures in geophysical flows and two-dimensional turbulence. Historically, the FSLE was defined in terms of its computational method rather than via a mathematical formulation, and the behavior of the FSLE in the turbulent inertial ranges is based primarily on scaling arguments. Here we propose an exact definition of the FSLE based on conditional averaging of the finite amplitude growth rate (FAGR) of the particle pair separation. With this new definition, we show that the FSLE is a close proxy for the inverse structural time, a concept introduced a decade before the FSLE. The (in)dependence of the FSLE on initial conditions is also discussed, as well as the links between the FAGR and other relevant Lagrangian metrics, such as the finite time Lyapunov exponent and the second order velocity structure function.

Design and advancement of the durable urban train infrastructures are of utmost importance for reliable mobility in the smart cities of the future. Given the importance of urban train lines, tunnels, and subway stations, these structures should be meticulously analyzed. In this research, two-dimensional modeling and analysis of the soil-structure mass of the Alan Dasht station of Mashhad Urban Train are studied. The two-dimensional modeling was conducted using Hashash’s method and displacement interaction. After calculating the free-field resonance and side distortion of the soil mass, this resonance was entered into PLAXIS finite element program, and finally, stress and displacement contours together with the bending moment, shear force and axial force curves of the structure were obtained.

In this effort we propose a data-driven learning framework for reduced order modeling of fluid dynamics. Designing accurate and efficient reduced order models for nonlinear fluid dynamic problems is challenging for many practical engineering applications. Classical projection-based model reduction methods generate reduced systems by projecting full-order differential operators into low-dimensional subspaces. However, these techniques usually lead to severe instabilities in the presence of highly nonlinear dynamics, which dramatically deteriorates the accuracy of the reduced-order models. In contrast, our new framework exploits linear multistep networks, based on implicit Adams-Moulton schemes, to construct the reduced system. The advantage is that the method optimally approximates the full order model in the low-dimensional space with a given supervised learning task. Moreover, our approach is non-intrusive, such that it can be applied to other complex nonlinear dynamical systems with sophisticated legacy codes. We demonstrate the performance of our method through the numerical simulation of a two-dimensional flow past a circular cylinder with Reynolds number Re = 100. The results reveal that the new data-driven model is significantly more accurate than standard projection-based approaches

The carbon-carbon cross-coupling of phenyl s-tetrazine (Tz) units at their ortho-phenyl positions allows to form constrained bis(tetrazines) with original tweezer structures. In these compounds, the face-to-face positioning of the central tetrazine cores is endorsed by pi-staking of the electron-poor nitrogen-containing heteroaromatic moieties. The resulting tetra-aromatic structure can be used as a weak coordinating ligand with cationic silver. This coordination generates a set of bis(tetrazine)‐silver(I) coordination complexes tolerating a large variety of counter anions of various geometries, namely, PF6–, BF4–, SbF6–, ClO4–, NTf2–, OTf2–. These compounds were characterized in the solid-state by single crystal XRD and reflectance spectra, and in solution by 1H NMR, mass spectrometry, electroanalysis and UV-visible absorption spectroscopy. The X-ray diffraction (XRD) structure of complexes {[Ag(3)][PF6]}∞ (4) and {[Ag(3)][SbF6]∞ (6), where 3 is 3,3'-[(1,1'-biphenyl)-2,2'-diyl]-6,6'-bis[phenyl]-1,2,4,5-tetrazine, revealed the formation of 1D polymeric chains, characterized by an evolution to a large opening of the original tweezer and a coordination of silver(I) via two chelating nitrogen atom and some C=C pi-interactions. Electrochemical and UV spectroscopic properties of the original tweezer and of the corresponding silver complex are reported and compared. 1H NMR titrations with AgNTf2 allowed to determine the stoichiometry, and apparent stability of two solution species, namely [Ag(3)]+ and [Ag(3)2]2+, that formed in CDCl3/CD3OD 2:1 v/v mixtures.

A class $\mathfrak{M}$ $$ of coarse spaces is called a variety if $\mathfrak{M}$ $$ is closed under formation of subspaces, coarse images and products. We classify the varieties of coarse spaces and, in particular, show that if a variety $\mathfrak{M}$ $$ contains an unbounded metric space then $\mathfrak{M}$ is the variety of all coarse spaces.

Natural products have been used for the treatment of human diseases since ancient history. Over time, due to the lack of precise tools and techniques for the separation, purification, and structural elucidation of active constituents in natural resources there has been a decline in financial support and efforts in characterization of natural products. Advances in the design of chemical compounds and the understanding of their functions is of pharmacological importance for the biomedical field. However, natural products regained attention as sources of novel drug candidates upon recent developments and progress in technology. Natural compounds were shown to bear an inherent ability to bind to biomacromolecules and cover an unparalleled chemical space in comparison to most libraries used for high-throughput screening. Thus, natural products hold a great potential for the drug discovery of new scaffolds for therapeutic targets such as Sirtuins. Sirtuins are Class III histone deacetylases that have been linked to many diseases such as Parkinson`s disease, Alzheimer’s disease, type II diabetes, and cancer linked to aging. In this review, we examine the revitalization of interest in natural products for drug discovery and discuss natural product modulators of Sirtuins that could serve as a starting point for the development of isoform selective and highly potent drug-like compounds.

We suppose that vacuum is filled with a kind of continuously distributed matter which may be called the $\Omega(1)$ substratum, or the electromagnetic aether. Suppose that the time scale of a macroscopic observer is very large compares to the the Maxwelllian relaxation time of the $\Omega(1)$ substratum. Thus, the macroscopic observer concludes that the $\Omega(1)$ substratum behaves like a Newtonian-fluid. Inspired by H. A. Lorentz, we speculate that electric charges may be extremely small hard spherical sources or spherical sinks with finite radii. Based on the spherical source and spherical sink model of electric charges, we derive Coulomb's law of interactions between static electric charges in vacuum. Further, we derive a reduced form of the Lorentz's force law for static electric charges in vacuum.

Untranslated regions (UTRs) of flaviviruses contain a large number of RNA structural elements involved in mediating the viral life cycle, including cyclisation, replication, and encapsidation. Here we report on a comparative genomics approach to characterize evolutionarily conserved RNAs in the 3'UTR of tick-borne, insect-specific and no-known-vector flaviviruses in silico. Our data support the wide distribution of previously experimentally characterized exoribonuclease resistant RNAs xrRNAs within tick-borne and no-known-vector flaviviruses and provide evidence for the existence of a cascade of duplicated RNA structures within insect-specific flaviviruses. On a broader scale, our findings indicate that viral 3'UTRs represent a flexible scaffold for evolution to come up with novel xrRNAs

Swift and diligent resilience response is mandatory in sustainable geo-distributed ecosystems. The real-time geo-spatial resilience requires agility in millions of parallel and distributed data processing tasks on data acquired from regional condition monitoring(RCM) systems. These tasks include expiditous resolution of complex sustainability conflict sets, promptly anomalies characterization in chaos sets, and resilience response uniqueness. This work is an archetype of a paragon geo-resilience support system(GRSS) for regional sustainability using a novel melioration in DADO production machine. The proposed expert system capitalized the synergic strengths of RETE, TREAT, LEAPS and GATOR networks was designed and implemented as a synthetic DADO machine(SDM). The generic architecture of DADO machine was improved in this work by enrichment in rule set conditions and solution set for regional scale resilience rule set conditions. The condition left-hand side(LHS) X equal to the solution set 2X for right-hand side (RHS) was the goal achieved by working memory(WM) optimization and conflict resolution strategy(CRS) in alpha and beta networks rules. A round-trip time of 80.2 seconds for first event response set using 1492 segment size and sequence number 360,000 with maximum packets at a single geospatial structure was 21 packets/sec was a noticeable landmark in this work. LEAPS and Concurrent-read algorithm for GATOR cluster networks in the proposed synthetic DADO machine architecture was the overall implementation that enabled urban scale resilient system practically possible on physical SHM deployment.

Ecosystem surveillance monitoring is critical to managing natural resources and especially so under changing environments. Despite this importance, the design and implementation of monitoring programs across large temporal and spatial scales has been hampered by the lack of appropriately standardised methods and data streams. To address this gap, we outline a surveillance monitoring method based on permanent plots and voucher samples suited to rangeland environments around the world that is repeatable, cost-effective, appropriate for large-scale comparisons and adaptable to other global biomes. The method provides comprehensive data on vegetation composition and structure along with soil attributes relevant to plant growth, delivered as a combination of modules that can be targeted for different purposes or available resources. Plots are located in a stratified design across vegetation units, landforms and climates to enhance continental and global comparisons. Changes are investigated through revisits. Vegetation is measured to inform on composition, cover and structure. Samples of vegetation and soils are collected and tracked by barcode labels and stored long-term for subsequent analysis. Technology is used to enhance the accuracy of field methods, including differential GPS r plot locations, instrument based Leaf Area Index (LAI) measures, and three dimensional photo-panoramas for advanced analysis. A key feature of the method is the use of electronic field data collection to enhance data delivery into a publicly-accessible database.Our method is pragmatic, whilst still providing consistent data, information and samples on key vegetation and soil attributes. The method is operational and has been applied at more than 704 field locations across the Australian rangelands as part of the Ecosystem Surveillance program of the Terrestrial Ecosystem Research Network (TERN). The methodology enables continental analyses, and has been tested in communities broadly representative of rangelands globally, with components being applicable to other biomes. Here we also recommend the consultative process and guiding principles that drove the development of this method as an approach for development of the method into other biomes. The consistent, standardised and objective method enables continental, and potentially global analyses than were not previously possible with disparate programs and datasets.

The study was conducted in north wollo, south wollo and orimiya zone, in Eastern Amhara with an aim to assess the resource potential of Acacia seyal in the selected sites. The data from the selected sites were collected using point center quarter method. A total of 90 quadrates from nine study areas with plot size 50m*50m, (22.5ha) were systematically located along each transect, 100 m apart, and was spatially captured with the aid of GPS. At every sampling point, four quadrants (90 degrees) were created, using the transect line and a line perpendicular to it. Species composition Acacia seyal structure and its regeneration status, at points along transects were taken to analyze diversity and target species structure of the sites. The highest and least density of Acacia seyal ha^-1 were attained by Mehale mecharie (148) and Alene sefer (52). The highest shannon weiner diversity and species richness was observed in Alene sefer(Kemessie). Acacia seyal structure in all study sites showed an inverted J shape except lastie gerdao (Gubalafeto). Therefore, Acacia seyal deserves immediate conservation and appropriate management measures in order to get sustainable product and services from the species. Based on the results, awareness creation on the values and management of Acacia seyal, study on the management options of Acacia seyal for firewood, fuel wood, charcoal production and also investigation of gum production techniques of Acacia seyal for the sustainable use of the resource are recommended.

The problem of Yukawa couplings being arbitrary parameters in the Standard Model Higgs mechanism is a long standing one due to their formulaic dependence on the Higgs Vacuum Expectation Value. We will attempt to solve this problem and provide a strong argument that the Yukawa couplings of charged leptons and down type quarks are not arbitrary parameters in the SM. A new methodology for predicting the Yukawa couplings will be presented by using Compton wavelengths, the Rydberg Constant and g-factors of charged leptons instead of relying on the Higgs VEV. We will then proceed to rewrite this new method in terms of an empirical formula that depends on the running of the fine-structure constant on the Q scale, charge and lepton quantum numbers and g-factors to predict the values of the Yukawa couplings for all three generations of charged leptons and d-type quarks. We will also touch on the subject of neutrinos both as Majorana and Dirac fermions respectively and make a prediction for the lightest possible Majorana neutrino and the differences between Dirac neutrinos and anti-neutrinos. We conclude that the Yukawa couplings are not arbitrary parameters in the SM and that this new formula provides very accurate results.

The way in which a perforated structure is formed has attracted much interest in the porous membrane research community. This novel structure gives materials an excellent antifouling property as well as a low operating pressure and other benefits. Unfortunately, the current membrane fabrication methods usually involve multi-step processes and the use of organic solvents or additives. Our study is the first to offer a way to prepare perforated membrane by using a physical foaming technique with CO₂ as the blowing agent. We selected thermoplastic polyurethane (TPU) as the base material because it is a biocompatible elastomer with excellent tensility, high abrasion resistance, and good elastic resilience. Various processing parameters, which included the saturation pressure, the foaming temperature, and the membrane thickness, were applied to adjust the TPU membrane’s perforated morphology. We proposed a possible formation mechanism of the perforated membrane. The as-prepared TPU membrane had good mechanical properties with a tensile strength of about 5 MPa and an elongation at break above 100%. Such mechanical properties make this novel membrane usable as a self-standing filter device. In addition, its straight-through channel structure can separate particles and meet different separation requirements.

Magnesium and Aluminum alloys continue to be important in the context of modern and lightweight technologies. With the advancement of additive manufacturing (AM), components can be produced directly in a net shape, widen up the usage of magnesium and aluminum alloys as well as holding new ideas for the application of unique physical structures made feasible by 3D printing. Laser-based approach, one of the metal additive manufacturing (AM) methods, enables the formation of arbitrary 3D structures. With promising findings, research in this area is advancing quickly, bringing up a variety of potential applications in both the scientific and industrial sectors. Complex structures can now be manufactured easily utilizing AM technologies to meet the pre-requisite objectives like reduced part numbers, greater functionality, and lightweight, among others. AM has the ability to meet demands by lowering costs and speeding up the manufacturing process. Due to their popularity in numerous high-value applications, aluminum, and magnesium alloys are one of the key material systems being researched in the laser-based additive manufacturing approaches. The review here aims to comprehensively examine the additive manufacturing of magnesium and aluminum alloys, highlighting the influence of the laser-based additive manufacturing approach on the mechanical characteristics, microstructure, and tribological performance of magnesium and aluminum alloys.

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.

Late blight caused by the oomycete pathogen Phytophthora infestans is a devastating disease of potato and tomato worldwide, including Israel. The population structure of this pathogen was monitored in potato and tomato fields in Israel during a 36-year period of 1983-2019. Isolates of the pathogen were tested for sensitivity to phenylamide fungicides, mating type, race structure, and genotype. The phenotypic and genotypic structure of the population from potato have changed greatly from one year to another, from one season to the next, within a season and within a single field. Major changes also occurred in the population collected from tomato crops. The mechanisms driving these multiple changes and the heterogeneous nature of the population in Israel are shown to derive from multiple migration events of the pathogen via seed tubers from Europe and from fitness-driven selection processes.

In this paper, an attempt has been made to analyze the effect of spool port/ groove geometry on the pressure drop and chamber pressures which effect the performance parameters of the flow distributor valve. The work mainly involves formulation of detailed mathematical model of the valve and compare them on the same platform. For mathematical modelling, Matlab has been used. The size of the orifices is considered same throughout the model for better comparison. Initially the construction and functioning of flow distributor valve along with working principles of hydrostatic motor (Rotary Piston) is shown. Next shown the analytical analysis of area change and pressure drops due to different geometry of the spool valve ports. After that the computational fluid dynamics (CFD) analysis has been shown. A complete mathematical model to describe such flow distributor valve is developed after having a comprehensive knowledge of orifice characteristics, flow interactions based on valve geometry. Equations of flow through different orifices (fixed and variable area) of the valve have been developed based on the relationships obtained earlier.

In this article, we introduce a new approach to human movement by defining the movement as a static object or a super object in one two-dimensional image. This method can allow researchers to label and describe the total movement as an object isolated from a reference video. This ap-proach allows us to perform various tasks, including finding similar movements in a video, measuring, and comparing movements, generating new similar movements, and defining chore-ography by controlling specific parameters in the human body skeleton. As a result of the pre-sented approach, we can eliminate the need to label images manually, disregard the problem of finding the beginning and the end of a movement, overcome synchronization issues between movements, and perform any deep learning network-based operation that processes super objects in images in general. As part of this article, we will demonstrate two application use cases: one il-lustrates how to verify and score a requested movement. In contrast, the other illustrates how to generate similar movements in the human skeleton space by addressing the challenge of supply-ing sufficient training data for deep learning applications (DL). A Variational Auto Encoder (VAE) simulator and an EfficientNet-B7 classifier architecture embedded within a Siamese twin neural network are presented in this paper in order to demonstrate two use cases. These use cases demonstrated the versatility of our innovative concept in measuring, categorizing, inferring hu-man behavior, and generating gestures for other researchers.

The properties of the dark matter, dark energy, graviton and photon are discussed in terms of the new three-dimensional quantized space model. Three new particles (bastons) with the electric charges (EC) are proposed as the dark matters. It is proposed that the EC, LC and CC charges are aligned along the time axes but not along the space axes. The photon is confined on its corresponding three-dimensional quantized space. However, the graviton can be evaporated into other three-dimensional quantized spaces. The rest mass of the electron neutrino (n_e) of 3.494·10⁻³ eV/c² is obtained from the experimental vacuum energy density in terms of quantum field theory (QFT). The rest mass and force range of the massive g(0,0,0) graviton with the Planck size are m_g = 3.1872·10⁻³¹ eV/c² and x_r = 3.0955·10²³ m = 10.0 Mpc, respectively, based on the experimental rest mass and rms charge radius of the proton. The possible diameter (10 Mpc) of the largest galaxy cluster is remarkably consistent with the gravitational force range (10 Mpc). Then, the diameter of the largest dark matter distribution related to the largest galaxy cluster is 9.2865·10²³ m = 30 Mpc equal to the force range of the massive g(0) graviton with the rest mass of 1.0624·10⁻³¹ eV/c². Because of the huge number (N) of the evaporated gravitons, the very small Coulomb’s constant of about 10⁻⁴⁸k and large gravitation constant of 10⁶G_N are expected for the charged dark matters. Therefore, F_c(mm) > F_g(dd) > F_g(mm) > F_g(dm) > F_c(dd) > F_c(dm) = 0 for the proton-like particle. The proposed weak gravitational force between the dark matters and normal matters explains the observed dark matter distributions of the bullet cluster, Abell 1689 cluster and Abell 520 cluster. The transition from the galaxy without the dark matters to the galaxy with the dark matters are explained. Also, the accelerated space expansion is caused by the new space quanta created by the evaporated gravitons into the x1x2x3 space and repulsive electromagnetic force between dark matters corresponding to the dark energy. The decreasing coupling constant of the strong force, neutron lifetime anomaly and the pressure distribution inside the proton are explained by the unobservable proton and hadronization. And the rest mass of 1.4 TeV/c² is assigned to the Le particle with the EC charge of −2e. The proposed rest mass (26.12 eV/c²) of the B1 dark matter is indirectly confirmed from the supernova 1987A data. Also, the gravitation constant has been changing with the time because of the graviton evaporation.

Understanding the relationships between land cover/urban structure patterns and air pollutants is key to sustainable urban planning and development. In this study, we employ a mobile monitoring method to collect PM_2.5 and BC data in the city of Philadelphia, PA during the summer of 2019 and apply the Structure of Urban Landscapes (STURLA) methodology to examine relationships between urban structure and atmospheric pollution. We find that, while PM_2.5 and BC vary by STURLA class, many of the differences in pollutant concentrations between classes are not significant. However, we also find that the proportions in which STURLA components are present throughout the urban landscape can be used to predict urban air pollution. Among frequently sampled STURLA classes, gpl hosted the highest PM_2.5 concentrations on average (16.60 _± 4.29 µg/m³), while tgbwp hosted the highest BC concentrations (2.31 _± 1.94 µg/m³). Furthermore, STURLA combined with machine learning modeling was able to correlate PM_2.5 (R²= 0.68, RMSE 2.82 µg/m³) and BC (R² = 0.64, RMSE 0.75 µg/m³) concentrations with the urban landscape and spatially interpolate concentrations where sampling did not take place. These results demonstrate the efficacy of the STURLA methodology in modeling relationships between air pollution and land cover/urban structure patterns.

Distinguishable annual growth rings produce in Pinus roxburghii are an asset to find out the age of individual tree. This paper aimed to determine the age of P. roxburghii through coring samples and test the relationship with forest production. The biomass estimated, girths measured at two different sections and heights measured which allowed to determine the rate of tapering of the stand. The regression analysis was performed to test the relationship between various variables. The mean age of the P. roxburghii stand was found to be 23.97 (~24 years). The result showed the significant (p<0.05) positive correlation coefficient has been seen between age with girth at breast height, biomass, volume and carbon stock. However, no significant (p>0.05) correlation (r = 0.08) was found between age and height of the stand. In contrast, a correlation between diameter at breast height (DBH) was significant (p<0.05) and positive with volume, biomass, but no significant (p>0.05) correlation (r = 0.14) found between DBH and height of the stand. However, height has a significant (p<0.05) positive correlation with biomass. The mean biomass was 375 kg and mean annual increment (MAI) was 15 kg per tree. Rate of tapering of the studied stand predicted to be 3 cm diameter decreased with trunk height running at 100 cm from base to upward of P. roxburghii stand and vice versa. Result suggests that height-age relation is very weak whereas age, DBH, biomass and carbon has a significant correlation signifies that time-based forests' production and potential production estimation can be obtained in a relatively accurate way by utilizing the age of stand. The time-based forest production analysis is pioneer work in Nepal. The study affirms the tree ring count in P. roxburghii would be a credible and accurate method to determine the age of standing trees.

New pharmaceutically acceptable salts of trazodone for the treatment of central nervous system disorders are synthesized and described. Each salt (trazodone hydrogen bromide and trazodone 1-hydroxy-2-naphthoate) was obtained by two or three different methods leading to the same crystalline form. Although trazodone salts are poorly crystalline, single-crystal X-ray diffraction data for trazodone 1-hydroxy-2-naphthoate were collected and analyzed as well as compared to the previously described crystal structure of commercially available trazodone hydrochloride. The powder samples of all new salts were characterized by Fourier transform infrared spectroscopy and 13C solid-state nuclear magnetic resonance spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of carbon chemical shielding constants. The main goal of our research was to find salts with better physicochemical properties and to make an attempt to associate them with both the anion structure and the most prominent interactions exhibited by the protonated trazodone cation. The dissolution profiles of trazodone from tablets prepared from various salts with lactose monohydrate were investigated. The studies revealed that salts with simple anions show a fast release of the drug while the presence of more complex anion, more strongly interacting with the cation, effects a slow-release profile of the active substance and can be used for the preparation of the tables with a delay or prolonged mode of action.

Three new secoiridoid constituents Gonocarin A-C (1-3) and a new derivative Gonocarin A monoacetate (4), along with two known lignins pinoresinol (5) and paulownin (6) were isolated from the seed of Gonocaryum calleryanum (Baill.) Becc. The structures of the new metabolites were determined on the basis of extensive spectroscopic analysis, particularly mass spectroscopy and 2D NMR (1H–1H COSY, HMQC, HMBC, and NOESY) spectroscopy. When mouse macrophages RAW264.7 were treated with compounds 1-6 together with LPS -stimulated, a concentration-dependent inhibition of nitric oxide (NO) and tumor necrosis factor (TNF-α) productions were detected. The results confirmed that the Gonocaryum calleryanumrrg could be a potential anti-inflammatory agent.

Several mathematicians and physicists are working all over the globe to get a unified theory. However, most of them are discarding Einstein’s view at the very first step of their theories. This article provides a brief description about this. Also, on the basis of Koga’s theory we point out two reasons which might have caused Einstein’s failure to get a unified theory.

One method of creating a brass coating is through electrodeposition, which is most often completed in cyanide galvanic baths. Because of the toxicity of cyanides, many are working on the development of cyanide-free baths, which are promising but not satisfactory to replace the classic methods. The purpose of the study was to explore a new generation of non-aqueous cyanide-free baths based on 1-ethyl-3-methylimidazolium acetate ionic liquids. The study involved the formation of copper, zinc, and brass coatings. The influence of the bath composition, cathodic current density, and temperature was determined. The obtained coatings were characterized by their morphology, chemical composition, roughness, and corrosion resistance. It was found that the structure of the obtained coatings is strongly dependent on the process parameters. The three main structures observed were fine-grained, porous, and olive-like. To the best knowledge of the authors, it is the first time the olive-like structure was observed in the case of an electrodeposited coating. The Cu-Zn coatings consisted of 19–96 at.% copper and exhibited relatively strong corrosion resistance. High improvement of corrosion properties was found in the case of copper and brass coatings with an olive-like structure.

This study addressed a Fluid-Structure Interaction of an open Water test for vp1304 propeller to predict pressure and stress distributions with a low cost and high precision method. The most striking aspect of such a method(one-way coupling) is to use one hydrodynamic solution for the number of different structural sets involved in other materials or different layup methods and combinations of layers. An open-access software(OpenFOAM) with an open-source code solver is used to simulate the fluid domain. Abaqus is used To evaluate and predict the deformation and strength of the blade with the Finite Element Method(FEM). The coupling approach is based on dry condition, which means the added mass effects due to propeller blades vibration is neglected. The pressures imposed on the blades are extracted from the fluid solver for each time step. Then, These pressures role as a load condition for the structure solver. This approach was verified in the last paper(wedge impact); a key factor for the present solution is the rotational rate interrelated between two solution domains, which is explained in this paper. Finally, the blades' stress and strain are calculated and compared in each advance coefficient.

The nondestructive testing of reinforced concrete chimneys, especially the high ones, is an important element of the assessment of their condition, making it possible to forecast their safe service lifespan. Industrial chimneys are often exposed to the strong action of acidic substances – they are adversely affected by the flue gas condensate on the inside and by acid precipitation on the outside. Initially, this results in the corrosion of the shell concrete and then in the corrosion of the reinforcing steel. During the service life of such chimneys their condition should monitored in order to prevent structural failures and indicate the most endangered parts of the structure. Owing to thermographic surveys one can monitor the hazards leading to the degradation of the chimney structure, which is particularly vital when due to the character of the production process the chimney cannot be put out of operation. The methods for the interpretation of results from thermovision studies to determine the safety and durability of industrial chimneys are shown.

A new formulation for a proposed solution to the 3D Navier-Stokes Equations in cylindrical co-ordinates coupled to the continuity and level set convection equation is presented in terms of an additive solution of the three principle directions in the radial, azimuthal and z directions of flow and a connection between the level set function and composite velocity vector for the additive solution is shown. For the case of a vertical tube configuration with small inclination angle, results are obtained for the level set function defining the interface in both the radial and azimuthal directions. It is found that the curvature dependent part of the problem alone induces sinusoidal azimuthal interfacial waves wheras when the curvature together with the equation for the composite velocity is considered oscillating radial interfacial waves occur. The implications of two extremes indicate the importance of looking at the full equations including curvature.

In this paper, ground tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR were studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis combined with Fourier transform infrared spectroscopy (TGA-FTIR), oscillating disc rheometer and static mechanical properties measurements. The obtained results showed that bitumen plasticizer prevent oxidation of GTR during microwave treatment and simultaneously improves processing and thermal stability of obtained reclaimed rubber.

This article studies examines the relationship of literature, ideology, and reading through a study of language, or la langue, as explored by De Man, Derrida, and Lacan. It attempts to show that structure, assumed to be the given of language, even within deconstruction, is, as structure, that which undoes structure. Literature explores this possibility of language, which is that it be and not be at the same time. The article finishes by studying the connection between this idea of literature as the possibility of language and the possibility of man, an important theme of the above three thinkers.

In recent years, metabolomics has been used as a powerful tool to better understand the physiology of neurodegenerative diseases and identify potential biomarkers for progression. We used targeted and untargeted aqueous, and lipidomic profiles of the metabolome from human cerebrospinal fluid to build multivariate predictive models distinguishing patients with Alzheimer’s disease (AD), Parkinson’s disease (PD), and healthy age-matched controls. We emphasize several statistical challenges associated with metabolomic studies where the number of measured metabolites far exceeds sample size. We found strong separation in the metabolome between PD and controls, as well as between PD and AD, with weaker separation between AD and controls. Consistent with existing literature, we found alanine, kynurenine, tryptophan, and serine to be associated with PD classification against controls, while alanine, creatine, and long chain ceramides were associated with AD classification against controls. We conducted a univariate pathway analysis of untargeted and targeted metabolite profiles and find that vitamin E and urea cycle metabolism pathways are associated with PD, while the aspartate/asparagine and c21-steroid hormone biosynthesis pathways are associated with AD. We also found that the amount of metabolite missingness varied by phenotype, highlighting the importance of examining missing data in future metabolomic studies.

The description of protein disordered states is important for understanding protein folding mechanisms and their functions. In this short review, we briefly describe a simulation approach to modeling disordered protein interactions and unfolded states of globular proteins. It is based on the CABS coarse-grained protein model that uses a Monte Carlo (MC) sampling scheme and a knowledge-based statistical force field. We review several case studies showing that description of protein disordered states resulting from CABS simulations is consistent with experimental data. The case studies comprise investigations of protein-peptide binding and protein folding processes. The CABS model has been recently made available as the simulation engine of multiscale modeling tools enabling studies of protein-peptide docking and protein flexibility. Those tools offer customization of the modeling process, driving the conformational search using distance restraints, reconstruction of selected models to all-atom resolution and studies of large protein systems in a reasonable computational time. Therefore, CABS can be combined in integrative modeling pipelines incorporating experimental data and other modeling tools of various resolution.

Proteins having a variety of functions play many essential roles in maintaining various life activities in organisms. Various methods, by which new protein functions can be artificially produced, have progressed rapidly upon development in recombinant DNA technology and effective screening techniques. However, the obtainable scope of the new functions has been restricted in a narrow range, because only functions of presently existing proteins can be used. On the other hand, it has been considered that it would be impossible to create an entirely new protein, which does not show any meaningful homology with any other amino acid sequences of previously existing proteins. The reason is because one amino acid sequence for a protein cannot be selected out from an extraordinary large amino acid sequence diversity as ~10130. As a matter of course, it is impossible to design an amino acid sequence of a protein in advance and a gene encoding the protein cannot be also formed through random process. Nevertheless, extant organisms have generated a variety of entirely new proteins in some way to make full use of them. This means that extant organisms have equipped a mechanism with which entirely new proteins can be produced under the present core life system composed of protein, tRNA (genetic code) and gene. In this article, first I introduce the mechanism, with which entirely new proteins are created in extant organisms, and further propose a novel strategy for application of the mechanism to protein engineering through creation of entirely new proteins, which could contribute to development of various industries.

This article objectively assesses, the hypothesis of the streamline's shape theory and its formulated equation. The deduction of proof uses algebra rather than first-order partial differential equations to address the specific hypothesis of "Streamline's shape theory" from the fundamental perspective of applied mathematics and scientifically derives mathematical relations of the axioms and corollaries in the field of fluid dynamics. The algebraic methods employed provide progressively more distinct and precise solutions compared to first-order partial differential equations. The foremost objective of this work is to evaluate if the formulations of the streamline's shape theory can have solutions for inviscid-incompressible and viscid-compressible flows of Newtonian fluids and to identify their nature. Secondly, to understand how the topology of the body and the free-stream conditions affect these solutions with due regards to the shape and size of the body interacting with the fluid flow. Finally, to explore the possibility of this theory to develop a CFD solver for streamline simulation to reduce the experimentation in the analysis of flow-structure interactions of Newtonian fluids and also to identify its scope of applications and limitations.

Waterbomb structures are origami-inspired deformable structural components used in new types of robots. They have a unique radially deployable ability that enables robots to better adapt to their environment. In this paper, we propose a series of new waterbomb structures with square, rectangle, and parallelogram base units. Through quasi-static axial and radial compression experiments and numerical simulations, we prove that the parallelogram waterbomb structure has a twist displacement mode along the axial direction. Compared with the square waterbomb structure, the proposed optimal design of the parallelogram waterbomb structure reduces the critical axial buckling load-to-weight ratio by 55.4% and increases the radial stiffness-to-weight ratio by 67.6%. The significant increase in the radial stiffness-to-weight ratio of the waterbomb structure and decrease in the critical axial buckling load-to-weight ratio make the proposed origami pattern attractive for practical robotics applications.

Traditionally it has been thought necessary to lose 2% of body mass due to dehydration, before functioning is disrupted, although recently adverse effects have been reported with a loss of 0.5-0.7%. It is, however, unclear whether the response to small decreases in mass reflects dehydration, mechanisms that help to adapt to a loss of bodily fluid, or a placebo effect. Individuals were therefore subject to a temperature of 30°C for three hours, and mood and cognition monitored. To explore the possibility of a placebo response, the consumption of plain or coloured water was compared. To consider changes in hydration status, drinks known to differ in their ability to rehydrate were contrasted. Not drinking was disruptive, although a combination of plain water and electrolyte’s most effectively prevented a decline in functioning, indicating a role for rehydration after a loss of 0.52% body mass. There was, however, also evidence of a placebo response: a combination of plain water and electrolytes was better able to prevent a decline in functioning than coloured plain water and electrolytes. As increased anxiety was a robust response, it was discussed whether the renin–angiotensin–aldosterone system might be part of the mechanism.

In this paper, a numerical modeling of the impact, spreading, and eventually rebound of a viscoelastic droplet is reported. The numerical model is based on the volume of fluid (VOF) method coupled with the FENE-CR constitutive equations, and accounts for both the surface tension and the substrate wettability. The FENE-CR constitutive equations are used to model the polymer solution, while taking advantage of its rheological characterization. The comparison is performed between droplets of Newtonian solvent and a monodisperse polymer solution. The droplet impact on both hydrophilic and superhydrophobic substrate is analyzed through a detailed analysis of the spreading diameter evolution. It is found that while the droplet kinematic phase seems independent of the substrate and fluids properties, the recoiling phase is highly related to all of them. In addition, the model infers a critical polymer concentration above which the droplet rebound from a superhydrophobic substrate is suppressed. The simulation is of particular interest to ink-jet processing, and demonstrates the capability of the model to handle complex non-Newtonian droplet dynamics.

Ordinary computing machines prohibit self-reference because it leads to logical inconsistencies and undecidability. In contrast, the human mind can understand self-referential statements without necessitating physically impossible brain states. Why can the brain make sense of self-reference? Here, we address this question by defining the Strange Loop Model, which features causal feedback between two brain modules, and circumvents the paradoxes of self-reference and negation by unfolding the inconsistency in time. We also argue that the metastable dynamics of the brain inhibit and terminate unhalting inferences. Finally, we show that the representation of logical inconsistencies in the Strange Loop Model leads to causal incongruence between brain subsystems in Integrated Information Theory.

Despite the long history of using protein sequences to infer the tree of life the potential for different parts of protein structures to retain historical signal remains unclear. We propose that it might be possible to improve analyses of phylogenomic datasets by incorporating information about protein structure; we test this idea using the position of the root of Metazoa (animals) as a model system. We examined the distribution of “strongly decisive” sites (alignment positions that support a specific tree topology) in a dataset comprising &gt;1,500 proteins and almost 100 taxa. The proportion of each class of strongly decisive sites in different structural environments was very sensitive to the model used to analyze the data when a limited number of taxa were used but they were stable when taxa were added. As long as enough taxa were analyzed, sites in all structural environments supported the same topology (ctenophores sister to other animals) regardless of whether standard tree searches or decisive sites were used to select the optimal tree. However, the use of decisive sites revealed a difference between the support for minority topologies for sites in different structural environments; buried sites and sites in sheet and coil environments exhibited equal support for the minority topologies whereas solvent exposed and helix sites had unequal numbers of sites supporting the minority topologies. Given the plausible trees equal support for minority topologies is consistent with discordance among gene trees, making it possible the relatively slowly evolving buried (and sheet and coil) sites are giving an accurate picture of the true species tree as well as the amount of conflict among gene trees. Alternatively, the apparent support could reflect currently uncharacterized processes of molecular evolution. Regardless, it is clear that analyses of the deepest branches in the animal tree of life using sites in different structural environments are associated with a subtle data type effect that results in distinct phylogenetic signals.

This paper is to summarize the involvement of the stress energy tensor in the study of fluid mechanics. In the first part we will see the implication that carries the stress energy tensor in the framework of general relativity. In the second part, we will study the stress energy tensor under the mechanics of perfect fluids, allowing us to lead third party in the case of Newtonian fluids, and in the last part we will see that it is possible to define space-time as a no-Newtonian fluids.

Since the launch of Protein Data Bank (PDB) in 1971, Cartesian coordinate system (CCS) has been the default approach to specify atomic positions in biomolecular experimental structures with X, Y and Z. In 2020, a local spherical coordinate system (LSCS) approach was proposed as an alternative to CCS, i.e., ρ, θ and φ. Recently, the continued application of deep learning technology in protein structure prediction (PSP) saw a leap forward in the accuracy of PSP, as evidenced by AlphaFold of Google’s DeepMind. However, there still is room for the improvement of the performances of PSP algorithms to date. Given that geometrically, CCS and LSCS are like the two sides of a coin, this short article puts forward a hypothesis that the time is now ripe to end the half-a-century burial of ρ, θ and φ in PDB, and use them as LSCS features for the design of novel PSP algorithms in future.

There is a high iron content in the nickel slag that mainly exists in fayalite phase. Basic Oxide can destroy the stable structure of fayalite which is beneficial to the treatment and comprehensive utilization of nickel slag. The reseach was based on the composition of the raw nickel slag, taking CaO-SiO₂-FeO-MgO system as the object and CaO as a modifier. The effect of basicity on the melting characteristics, viscosity and structure of CaO-SiO₂-FeO-MgO system was studied. The relationship between the viscosity and structure of CaO-SiO₂-FeO-MgO system was also explored. The results show as follows. (1) When the basicity is 0.38~0.90, the phase of primary crystal is olivine at argon atmosphere, while it is monoxide at the basicity of 0.90~1.50. The liquidus temperature, softening temperature, hemispherical temperature, and flow temperature all reach the lowest value at the basicity of 0.90. (2) With the increase of basicity, critical viscosity temperature of CaO-SiO₂-FeO-MgO system decreases first and then increases. Critical viscosity temperature is the lowest at the basicity of 0.90, which is 1263 ℃. (3) When the slag system is heterogeneous, the viscosity of the molten slag increase rapidity because of the type and quantity of solid phase precipitated from CaO-SiO₂-FeO-MgO system. And critical viscosity temperature of the slag system is also significantly affected. (4) When the slag system is in a homogeneous liquid phase, the molar fraction of O0 decreases with the increase of basicity and the mole fraction of O^- and O^2- increases continuously at the basicity of 0.38~1.50. The silicate network structure is gradually depolymerized into simple monomers, resulting in the degree of polymerization is reduced and the viscosity is reduced, too.

The role played by non extensive thermodynamics in physical systems has been under intense debate for the last decades. With many applications in several areas, the Tsallis statistics has been discussed in details in many works and triggered an interesting discussion on the most deep meaning of entropy and its role in complex systems. Some possible mechanisms that could give rise to non extensive statistics have been formulated along the last several years, in particular a fractal structure in thermodynamics functions was recently proposed as a possible origin for non extensive statistics in physical systems. In the present work we investigate the properties of such fractal thermodynamical system and propose a diagrammatic method for calculations of relevant quantities related to such system. It is shown that a system with the fractal structure described here presents temperature fluctuation following an Euler Gamma Function, in accordance with previous works that evidenced the connections between those fluctuations and Tsallis statistics. Finally, the fractal scale invariance is discussed in terms of the Callan-Symanzik Equation.

This article investigates the features of heat and mass transfer for the steady two-dimensional Williamson nanofluid flow across an exponentially stretched surface depending on suction/injection. The boundary conditions incorporate the impacts of the Brownian motion and thermophoresis boundary. The analysis of heat transfer is carried out for the two cases of prescribed exponential order surface temperature (PEST) and prescribed exponential order heat flux (PEHF). The ongoing flow problem is mathematically modeled under the basic laws of motion and heat transfer. The similarity variables are allowed to transmute the governing equations of the problem into a similarity ordinary differential equation (ODEs). The solution of this reduced non-linear system of ODEs is supported by the Homotopy analysis method (HAM). The combination of HAM arrangements is acquired by plotting the h-curve. In order to evaluate the influence of several emergent parameters, the outcomes are presented numerically and are plotted diagrammatically as a consequence of velocity, temperature and concentration pro les.

Tree condition, pruning and orchard management practices within intensive horticultural tree crop systems can be determined via measurements of tree structure. Multi-spectral imagery acquired from an unmanned aerial system (UAS) has been demonstrated as an accurate and efficient platform for measuring various tree structural attributes, but research in complex horticultural environments has been limited. This research established a methodology for accurately estimating tree crown height, extent, plant projective cover (PPC) and condition of avocado tree crops, from a UAS platform. Individual tree crowns were delineated using object-based image analysis. In comparison to field measured canopy heights, an image-derived canopy height model provided a coefficient of determination (R2) of 0.65 and relative root mean squared error of 6%. Tree crown length perpendicular to the hedgerow was accurately mapped. PPC was measured using spectral and textural image information and produced an R2 value of 0.62 against field data. A random forest classifier was applied to assign tree condition into four categories in accordance with industry standards, producing out-of-bag accuracies >96%. Our results demonstrate the potential of UAS-based mapping for the provision of information to support the horticulture industry and facilitate orchard-based assessment and management.

Low-energy Coulomb excitation is capable of providing unique information on static electromagnetic moments of short-lived excited nuclear states, including non-yrast states. The process selectively populates low-lying collective states and is therefore ideally suited to study phenomena such as shape coexistence and development of exotic deformation (triaxial or octupole shapes). Historically, these experiments were restricted to stable isotopes. However, the advent of new facilities providing intense beams of short-lived radioactive species has opened the possibility to apply this powerful technique to a much wider range of nuclei. We discuss the observables that can be measured in a Coulomb-excitation experiment, their relation to nuclear structure parameters with an emphasis on the nuclear shape, and present some recent examples of Coulomb-excitation studies that provided outcomes relevant for the Shell Model.

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

The paramagnetic gadolinium(III) ion is used as contrast agent in magnetic resonance (MR) imaging to improve the lesion detection and characterization. It generates a signal by changing the relaxivity of protons from associated water molecules and creates a clearer physical distinction between the molecule and the surrounding tissues. New gadolinium-based contrast agents displaying larger relaxivity values and specifically targeted might provide higher resolution and better functional images. We have synthesized the gadolinium(III) complex of formula [Gd(thy)2(H2O)6](ClO4)3·2H2O (1) [thy = 5-methyl-1H-pyrimidine-2,4-dione or thymine], which is the first reported compound based on gadolinium and thymine nucleobase. 1 has been characterized through vis-IR, SEM-EDAX and single-crystal X-ray diffraction techniques, and its magnetic and relaxometric properties have been investigated by means of SQUID magnetometer and MR imaging phantom studies, respectively. On the basis of its high relaxivity values, this gadolinium(III) complex can be considered a suitable candidate for contrast enhanced magnetic resonance imaging.

To investigate the optimum layouts of small vertical axis wind turbines, a two-dimensional analysis of dynamic fluid body interaction is performed via computational fluid dynamics for a rotor pair in various configurations. The rotational speed of each turbine rotor (diameter: D = 50 mm) varies based on the equation of motion. First, the dependence of rotor performance on the gap distance (gap) between two rotors is investigated. For parallel layouts, counter-down (CD) layouts with blades moving downwind in the gap region yield a higher mean power than counter-up (CU) layouts with blades moving upwind in the gap region. CD layouts with gap/D = 0.5–1.0 yield a maximum average power that is 23% higher than that of an isolated single rotor. Assuming isotropic bidirectional wind speed, co-rotating (CO) layouts with the same rotational direction are superior to the combination of CD and CU layouts regardless of the gap distance. For tandem layouts, the inverse-rotating configuration (IR) shows an earlier wake recovery than the CO configuration. For 16-wind-direction layouts, both the IR and CO configurations indicate similar power distribution at gap/D = 2.0. For the first time, this study demonstrates the phase synchronization of two rotors via numerical simulation.

Intrinsically disordered proteins mediate crucial biological functions through their interactions with other proteins. Mutual synergistic folding (MSF) occurs when all interacting proteins are disordered, folding into a stable structure in the course of the complex formation. In these cases, the folding and binding processes occur in parallel, lending the resulting structures uniquely heterogeneous features. Currently there are no dedicated classification approaches that would take into account the particular biological and biophysical properties of MSF complexes. Here we present a scalable clustering-based classification scheme, built on redundancy-filtered features that describe the sequence and structure properties of the complexes, and the role of the interaction, which is directly responsible for structure formation. Using this approach, we define six major types of MSF complexes, corresponding to biologically meaningful groups. Hence, the presented method also shows that differences in binding strength, subcellular localization, and regulation are encoded in the sequence and structural properties of proteins. While current structure classification methods can also handle complex structures, we show that the developed scheme is fundamentally different, and since it takes into account defining features of MSF complexes, it serves as a better representation of structures arising through this specific interaction mode.

Poliovirus 2A protease (PV2Apro) plays a vital role in viral replication and down-regulation of host cell protein synthesis. In order to understand more concerning PV2Apro, the protein was over-expressed in bacteria following amplification using sense and antisense primers and cloning in pET15b. Several expression hosts were tested and BL21 (DE3) pLysS cells gave the best expression of PV2Apro with minimal unwanted protein expression following IPTG induction. The 2Apro protein was purified to homogeneity using column chromatography, its solubility determined and its molecular weight and composition determined by MALDI-TOF mass spectrometry. The protease was found in the insoluble fraction and the purified protein had a slightly lower molecular weight than predicted. Moreover, three dimensional structure was modelled using template 1z8r with 58% identity and validated using ramachandran plot. Results revealed that most of the residues lie in favoured and allowed regions. These findings could help in a better understanding of PV2Apro structure and inhibition thus, highlighting potential targets for antiviral drug development.

NASA/ESA/CSA joint venture James Webb Space Telescope is about to be launched. It is hypothesized to operate in near-infrared range. It is also hypothesized to unveil early star formation, galaxies, and universe due to its orbit, point in orbit and orbital motion. It has been under manufacturing for over 20 years at a staggering cost of 10 billion US dollars (most expensive scientific experiment in history). Beryllium (Be) is chosen to be element for construction of its main mirrors due to its high stiffness, low density, low linear coefficient of thermal expansion (α) in cryogenics and high thermal conductivity. It is followed by gold (Au) layer deposition on its (Be) surface to enhance its sensitivity towards infrared radiation as later is hypothesized to bear superior properties. However, serious mistakes have been made in selecting this material for this application. Owing to its crystal structure (hexagonal close packed (hcp)), slip planes (basal, prismatic and pyramidal) and mechanisms of their activation, Be necessitates easy fracture at cryogenic temperature. It has anisotropic properties and prone to transverse fracture under tensile loading. Furthermore, its ductile to brittle transition temperature is very low making it entirely unsuitable for such an application. It is one of most expensive metals on planet. This study constitutes revisiting these fundamental properties and mechanisms which were entirely ignored during materials selection thus rendering whole project useless.

Synthetic polymer-based gradient foams have considered as promising category of functionally graded materials with unique properties. In this study, the carbon dioxide (CO₂) foaming technology has used for PET-PEN (Polyethylene Terephthalate - Polyethylene Naphthalate) copolymer towards porous functional materials with thermal insulation with reasonable mechanical strength. Through scanning electron microscope based morphological characterization, a potential to fabricate gradient foam structures with micro-pores has identified. It has shown that variation of post-foaming temperature can tune the pore size distribution although the very high post-foaming temperature tends to cause structural instability. Thermal measurement data set the limits of operation, confirmed by simultaneous differential scanning calorimeter and thermo-gravimetric analysis. Mechanical stress and thermal conductivity also has measured to find rationale of thermal insulation with reasonable mechanical strength and to elucidate the actual 3D grid foam of copolymer.

(1) Background: Sensing of critical events or flow signatures in nature often presents itself as a coupled interaction between a fluid and arrays of slender flexible beams, such a wind-hairs or whiskers. It is hypothesized that important information is gained in highly noisy environments by the inter-correlation within the array. (2) Methods: The present study uses a model sea lion head with artificial whiskers in the form of slender beams (optical fibres), which are subjected to a mean flow with overlaid turbulent structures generated in the wake of a cylinder. Motion tracking of the array of fibres is used to analyse the correlation of the bending deformations of pairs of fibres. (3) Results: Cross-correlation of the bending signal from tandem pairs of whiskers proves that the detection of vortices and their passage along the animals head is possible even in noisy environments. The underlying pattern, during passage of a vortex core, is a jerk-like response of the whiskers, which can be found at later arrival-times in similar form in the downstream whisker's response. (4) Conclusion: Coherent vortical structures can be detected from cross-correlation of pairs of cantilever-beam like sensors even in highly turbulent flows. Such vortices carry important information within the environment, e.g. the underlying convection velocity. More importantly in nature, these vortices are characteristic elementary signals left by prey and predators. The present work can help to further develop flow, or critical event, sensory systems which can overcome high noise levels due to the proposed correlation principle.

Cerebrospinal fluid (CSF)-contacting neurons (CSF-N) located in the surface of both brain ventricles and the central canal (cc) in the spinal cord. The cc and CSF maintain a proliferative niche for neural progenitor cells and play a vital role in development of the brain. The CSF circulates in the ventricles and the subarachnoid spaces with the CSF rhythmic flow: cardiac pulsation and respiratory fluctuation. A new concept of CSF motion may be contrary to the classical one that the direction of CSF motion may vary in direction and may be dynamic in its location. The CSF pressure may also depend on the body position. Moderate music-making has been considered a potential approach for rehabilitative and restorative therapy of brain dysfunctions. Recently, we find that the CSF-Ns are present in both the interior CFS in the cc and also exterior CSF around the surface of the spinal cord. We hypothesize that CSF-N as mechanical sensors in the spinal cord could sense motion of the spinal cord. The myodural bridge is a ligament connecting a pair of deep, upper-neck muscles to the dura mater, which envelops the arachnoid mater and contains the CSF surrounding the brain and the spinal cord. We figure out the term “CSF-static compartment” and classify CSF storage location as rostral pool and caudal pool to demonstrate our hypothesis. We presume that the somatic body movement with music-making and rehabilitation-based interventions would orchestrate the CSF motion with head movement, myodural bridge stretching and puling as well as spinal bending.

Recent astronomical observations with respect to measurements in distant supernovas, cosmic microwave background and weak gravitational lensing confirm that the Universe is undergoing a phase of accelerated expansion and it has been proposed that this cosmological behavior is caused by a hypothetical dark energy which has a strong negative pressure that allows explain the expanding universe. Several theoretical ideas and models related dark the energy includes the cosmological constant, quintessence, Chaplygin gas, braneworld and tachyonic scalar fields. In this paper, we have obtained new relativistic stellar configurations considering an anisotropic fluid distribution with a charge distribution which could represents a potential model of a dark energy star. In order to investigate the effect of a quadratic equation of state in this anisotropic model we specify particular forms for the gravitational potential that allow solving the Einstein-Maxwell field equations. For these new solutions we checked that the radial pressure, metric coefficients, energy density, anisotropy factor, charge density , mass function are well defined and are regular in the interior of the star. The solutions found can be used in the development of dark energy stars models satisfying all physical acceptability conditions but the causality condition and strong energy condition are violated. We expect that these models have multiple applications in astrophysics and cosmology.

Light and heat resources are ample in Xinjiang plain oasis region. Planting structure is single in irrigation area, which leads to severe seasonal water shortages due to high concentration of water utilization. Therefore, how to make full use of light and heat resources to develop oasis agriculture without expanding planting scale has become the focus of research. The biannual cropping patterns are possible solutions to the problem. Manas River Irrigation area, which is located on the northern slope of Tianshan Mountain in Xinjiang in China is regarded as a typical case study to analyze the suitable planting structure and planting scale for biannual cropping pattern. The effects of optimizing planting patterns on alleviating the contradiction between water supply and water need，and the efficiency of water resources utilization was also studied. The results of the study show that：(1) the suitable planting scales of Manas River irrigation area in wet year (P = 25%), normal year (P = 50%), and low flow year (P = 75%) are about 72.66%, 78.73% and 83.91% of the current planting scale. (2) After the planting structure was optimized, the water use process in the irrigation area extends from May to August at present to April to November. The water use ratio at the peak period of water use decreased from 0.847 to 0.601, and the water use peak was significantly dispersed. (3) Economic benefits per cubic metre of water of the biannual cropping patterns increased from 8.65 yuan·m⁻³ at present to 9.45 yuan·m⁻³, 10.31 yuan·m⁻³ and 11.43 yuan·m⁻³ in wet year (P = 25%), in normal year (P = 50%) and low flow year (P = 75%) respectively, which proved that replanting crops could improve the efficiency of water resources utilization in irrigated areas. Therefore, the optimal planting pattern can be implemented to improve the utilization efficiency of soil and water resources in irrigation area in the arid oasis with single planting pattern with excessive concentration of water use peak and serious water shortage.

The objective of this study was to assess the ability of producing laminated edible films manufactured using the following proteins; gelatin (G), whey protein isolate (WPI), and polysaccharide; sodium alginate (SA), and to evaluate their physical properties. Additionally, films’ preparation employing these ingredients was optimized through the addition of corn oil (O), Overall, 8-types of laminated films (G-SA, G-WPI, SA-WPI, SA-G-WPI, GO-SAO, GO-WPIO, SAO-WPIO, SAO-GO-WPIO were developed in this study. The properties of the prepared films were characterized through the measurement of; tensile strength (TS), elongation at break point (EB), puncture resistance (PR), tear strength (TT), water vapour permeability (WVP) and oxygen permeability (OP). The microstructure of cross-sections of laminated films was investigated by scanning electron microscopy (SEM). Mechanical properties of films were dramatically enhanced through the addition of film layers. GO-SAO laminate showed the best barrier properties to water vapour (22.6 ± 4.04 g mm/kPa d m2) and oxygen (18.2 ± 8.70 cm3 mm/kPa d m2). SAO-GO-WPIO laminate film was the strongest of all laminated films tested, having the highest TS of 55.77 MPa, PR of 41.36 N and TT of 27.32 N. SA-G-WPI film possessed the highest elasticity with an EB value of 17.4%.

The method of doublet frequency distance (DFD-) maps was applied, here, for visualization of DNA sequence structures of yeast chromosomes. The colour scale “rainbow” of the Octave programming tool is well suited for such visualization. The DFD-maps are generated by comparison of the differences in the number of all base doublets in a shifting frame with all other positions of this frame in a regarded DNA sequence section. This procedure can be applied from DNA-sections of between a few hundred bases (bps) up to a complete chromosome with a million or more bps. An orthogonal DFD-map pattern dominates all chromosomes and its parts. It can be interpreted by a large number of successive mutation events during evolution. In contrast, diagonal patterns indicate duplications of sequence sections and multiple tandem repeats. These periodic structures are found in several chromosomes and are more or less regular or noised. The larger tandem repeat in the subtelomeric region of chromosome 12 presents a characteristic example of a nested multiple-repeat structure. Its pattern in the DFD-map illustrates obviously a temporal order of duplication and mutation events leading to a hierarchical sequence architecture.

Here we present a fast and highly scalable community structure preserving network module detection that recursively integrates graph sparsification and clustering. Our algorithm, called SparseClust, participated in the most recent DREAM community challenge on disease module identification, an open competition to comprehensively assess module identification methods across a wide range of biological networks.

Victor Vasarely’s (1906-1997) important legacy to the study of human perception is brought to the forefront and discussed. A large part of his impressive work conveys the appearance of striking three-dimensional shapes and structures in a large-scale pictorial plane. Current perception science explains such effects by invoking brain mechanisms for the processing of monocular (2D) depth cues. Here in this study, we illustrate and explain the local effects of 2D color and contrast cues on the perceptual organization in terms of figure-ground assignments, i.e. which local surfaces are likely to be seen as “nearer” or “bigger” in the image plane. Paired configurations are embedded in a larger, structurally ambivalent pictorial context inspired by some of Vasarely’s creations. The figure-ground effects these configurations produce reveal a significant correlation between perceptual solutions for “nearer” and “bigger” when no other monocular depth cues are given in the image. In consistency with previous findings on similar, albeit simpler visual displays, a specific color may compete with luminance contrast in resolving the planar ambiguity of a complex pattern context. Vasarely intuitively understood, and successfully exploited, this kind of subtle context effect in his art, well before empirical investigations had set out to study and explain their genesis in terms of information processing by the visual brain.

Polyurethanes are materials with a strong structure-property relationship. The goal of this research was to study the effect of a polyol blend composition of polyurethanes on its properties using a mixture design and setting mathematic models for each property. Water absorption, hydrolytic degradation, contact angle, tensile stretch, hardness and modulus were studied. Additionally, Thermal stability was studied by thermogravimetric analysis. Area under the curve was used to evaluate the effect of polyol blend composition on thermal stability and kinetics of water absorption and hydrolytic degradation. Least squares were used to calculate the regression coefficients. Models for the properties were significant, and lack of fit was not (P<0.05). Fit statistics suggest both good fitting and prediction. Water absorption, hydrolytic degradation and contact angle were mediated by the hydrophilic nature of the polyols. Tensile strength, modulus and hardness could be regulated by the molecular weight and hydroxyl index of the polyols. Regression of DTG curves from thermal analysis showed improvement of thermal stability with the increase of PCL and PE. An ANOVA test of the model terms demonstrated that three component effects on bulk properties like water absorption, hydrolytic degradation, hardness, tensile strength and modulus, and the PEG*PCL interaction with the contact angle, which is a surface property. Mixture design application allowed for an understanding of the structure-property relationship through mathematic models.

A new method is proposed to increase rejection in microfiltration by applying membrane oscillation using a new type of microfiltration membranes with slotted pores. The oscillations applied to the membrane surface result in reducing membrane fouling and increasing separation efficiency. An exact mathematical solution of the flow in the surrounding solution outside the oscillating membrane is developed. The oscillation results in appearance of the lift velocity, which moves oil particles away from the membrane. The latter results in both reducing membrane fouling and increasing oil droplets rejection. This developed model was supported by the experimental results for oil water separation in produced water treatment. It was proven that oil droplet concentration reduced notably in the permeate due to the membrane oscillation and that applied shear rate caused by the membrane oscillation is also reduce pore blockage. New generation of microfiltration membranes with slotted pores was used in the experiments.

The preservation of the authenticity of a building artefact is a responsible practice. On the other side, the need to save the building artefact from the natural and anthropic degradation, to ensure the structural reliability to the different actions, to define an efficient maintenance program are big challenges, that involves the cooperation of several professionals, responsible use of innovative techniques and materials that are nowadays available. This paper focuses on a specific design approach for the rehabilitation works of ancient constructions in archaeological sites. The proposed conceptual design approach implies different steps that allow the optimization of the design at an increasing level of knowledge on the existing structures and their materials. The design procedure on historical constructions generally includes the following steps: the collection of data, the structural identification, hazard, and vulnerability analysis, damage and risk analysis, a cost-benefit analysis, so only at the end of the process, the final design is achieved. In the archaeological area, some important design aspects cannot be defined before the execution work phase, since some elements could be revealed and identified during work execution, as a consequence, the final design has been often optimized after all this information has been acquired. A studied case in the archaeological site of Pompeii is herein presented to prove the efficiency of the proposed approach.

A novel cytoplasmic dye decolorizing peroxidase from Dictyostelium discoideum was investigated that oxidizes anthraquinone dyes, lignin model compounds and general peroxidase substrates like ABTS efficiently. Unlike related enzymes, an aspartate residue replaces the first glycine of the conserved GXXDG motif in Dictyostelium DyPA. In solution, Dictyostelium DyPA exists as a stable dimer with the side chain of Asp146 contributing to the stabilization of the dimer interface by extending the hydrogen bond network connecting two monomers. To gain mechanistic insights, we solved the Dictyostelium DyPA structures in the absence of substrate as well as in the presence of potassium cyanide and veratryl alcohol to 1.7, 1.85, and 1.6 Å resolution, respectively. The active site of Dictyostelium DyPA has a hexa-coordinated heme iron with a histidine residue at the proximal axial position and either an activated oxygen or CN^- molecule at the distal axial position. Asp149 is in an optimal conformation to accept a proton from H₂O₂ during the formation of compound I. Two potential distal solvent channels and a conserved shallow pocket leading to the heme molecule were found in Dictyostelium DyPA. Further, we identified two substrate-binding pockets per monomer in Dictyostelium DyPA at the dimer interface. Long-range electron transfer pathways associated with a hydrogen-bonding network that connects the substrate-binding sites with the heme moiety are described.

The one-to-one structural correspondence between any conjugated hydrocarbon CnHm and the borane BnHm+n is extended here, with the B3LYP/cc-pVDZ model, to pure conjugated carbon systems with the example of buckminsterfullerene C60 with the corresponding icosahedral isoelectronic system closo-borane B60H60, and the fluorine substituted systems B60F30H30 and B60F60 , all with icosahedral Ih symmetry. All systems correspond to energy minima in the potential energy hypersurface, except for B60(F30)in(H30)out . Selected electronic structure methods are used to characterize all systems: molecular electrostatic potentials (MEP), atomic charges, bond orders, and topological properties of the electron density within quantum theory of atoms-in-molecules (QTAIM) and electron-localization function (ELF) theory. In the particular case of B60H60 we use the recently developed Hückeloid model to characterize this system. The stability of the energy minimum icosahedral structure B60F60 could have an origin in F···F attractive interactions of the inner fluorine atoms of the cage.

This paper is the first of a series of papers which aims to address Islamist violent radicalization from different angles: the nature of violent radicalization in the context of Spain, a comparison between European, North American and Indian violent radicalization, the need to refine territorial radicalization indexes within the context of preventing violent radicalization and the relation between Islamist violent radicalization and other forms of violent radicalization in Europe. This set of articles builds upon the general theoretical framework set by the author on two previous works (García, 2018; 2019). These works are framed under the known conception of three layers of micro, meso and macro factors contributing to violent radicalization processes (McCauley, Moskalenko, 2017). The paper starts by defining Islamist violent radicalization, then it explores different theoretical explanations and finally proposes an explanatory hypothesis that is tested against, on the one hand, data proceeding from different institutional sources in Spain and, on the other, some initial conversations which will become life stories and a in depth interviews to Spanish security officials and people who whether radicalized and regretted or lived very close to others that did it.