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

Thyroid hormones have a catabolic effect on bone homeostasis. Hence, this study aimed to evaluate serum vitamin D, calcium, and phosphate and bone marker levels and bone mineral density (BMD) among patients with different thyroid diseases. This cross-sectional study included patients with underlying thyroid diseases (n=64, hyperthyroid; n=53 euthyroid; and n=18, hypothyroid) and healthy controls (n=64). BMD was assessed using z-score and left hip and lumbar bone density (g/cm2). Results showed that the mean serum vitamin D Levels of all groups was low (<50 nmol/L). Thyroid patients had higher serum vitamin D levels than healthy controls. All groups had normal serum calcium and phosphate levels. The bone marker levels were significantly high in the hyperthyroid group and low in the hypothyroid group. The z-score for hip and spine did not significantly differ between thyroid patients and control groups. The hip bone density was remarkably low in the hyperthyroid group. In all groups, the serum vitamin D levels were below the cutoff value. However, thyroid patients had a higher serum vitamin D level than healthy controls. The carboxy terminal collagen crosslink and procollagen type I N-terminal propeptide levels were high in hyperthyroid patients and low in hypothyroid patients. Further, hyperthyroid patients had a low hip BMD.

Rotary tillage is a main management tillage practices and widely applied in the North China Plain. However, the long term rotary tillage (depth of 20 cm) results in soil compaction and plow pan formation, which reduces water use efficiency and nutrient uptake, and then impedes the yield increase. In this study, a 3-year field experiment was conducted to investigate the influence of different depths of tillage on soil bulk density, field capacity, water use, photosynthetic rate, nutrients and maize yields in the North China Plain. Three depths of tillage (D20, depth of 20 cm; D25, depth of 25 cm; D30, depth of 30 cm) were assessed. D25 and D30 significantly reduced soil bulk density and improved field capacity in 10-20 and 20-30 cm soil layer, compared to D20. Soil water consumption for D25 was significantly higher 10.12% and 6.61% than that for D20 and D30, respectively. Photosynthetic rate for D25 significantly improved than that for D20 and D30. Total nitrogen in 0-20cm soil layer decreased with the depths of tillage. The maize yields for D25 significantly increased by 20.92% and 21.56% compared to that for D20 and D30, respectively. Structural equation models showed that the total effects of tillage, total nitrogen, photosynthesis and soil water consumption on yields were 0.019, -0.628, 0.121, and 0.895 (path coefficients λ), respectively. The results demonstrated that D25 could improve maize yields, water use efficiency, photosynthetic rate by improving soil water consumption. Depth of 25 cm is optimal tillage practice for the maize production in the North China Plain.

In this four-month-long study (from April 1, 2020 to August 1, 2020), we have collected, modeled, and analyzed COVID-19 data from the top five most infected counties per top six most infected states in the United States (30 counties total). More specifically, we collected data on each state’s total COVID-19 cases, deaths, tests conducted, and their counties’ population, density, percentage of seniors, number of hospitals, total COVID-19 cases, and total COVID-19 related deaths. In this study, we have models illustrating the growth of COVID-19 cases and deaths per county, growth of COVID-19 cases and deaths per state (which is really the sum of our chosen five counties), and growth of COVID-19 tests conducted per state. In addition, our study also contains models illustrating the statistics of several variables that might have affected a county’s COVID-19 data, which has been mentioned above: population, density, percentage of seniors, and number of hospitals. An interesting finding we have noticed upon modeling the 30 counties’ density and total COVID-19 cases as an xy scatter plot is that there is a considerably strong relationship between the two variables. Los Angeles County (which was an extreme outlier), in particular, supports the idea that a county’s most populous city can greatly affect its entire county’s COVID-19 cases; if the largest city is extremely dense, it appears that the entire county has a greater total COVID-19 case count.

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

The development of platinum group metal-free (PGM-free) electrocatalysts derived from cheap and environmentally friendly biomasses for oxygen reduction reaction (ORR) is a topic of relevant interest, particularly from the point of view of sustainability. Fe-nitrogen-doped carbon materials (Fe-N-C) have attracted particular interest as alternative to Pt-based materials, due to the high activity and selectivity of Fe-Nx active sites, the high availability and good tolerance to poisoning. Recently, many studies focused on developing synthetic strategies, which could transform N-containing biomasses into N-doped carbons. In this paper chitosan was employed as a suitable N-containing biomass for preparing Fe-N-C catalyst in virtue of its high N content (7.1%) and unique chemical structure. Moreover, the major application of chitosan is based on its ability to strongly coordinate metal ions, a precondition for the formation of Fe-Nx active sites. The synthesis of Fe-N-C consists in a double step thermochemical conversion of a dried chitosan hydrogel. In acidic aqueous solution, the preparation of physical cross-linked hydrogel allows to obtain sophisticated organization, which assure an optimal mesoporosity before and after the pyrolysis. After the second thermal treatment at 900 °C, a highly graphitized material was obtained, which has been fully characterized in term of textural, morphological and chemical properties. RRDE technique was used for understanding the activity and the selectivity of the material versus the ORR in 0.5 M H2SO4 electrolyte. Special attention was put in the determination of the active site density according to nitrite electrochemical reduction measurements. It was clearly established that the catalytic activity expressed as half wave potential linearly scales with the number of Fe-Nx sites. It was also established that the addition of the iron precursor after the first pyrolysis step leads to an increased activity because of both an increased number of active sites and of a hierarchical structure, which improves the access to active sites. At the same time, the increased graphitization degree, and a reduced density of pyrrolic nitrogen groups are helpful to increase the selectivity toward the 4e- ORR pathway.

We work with reference to a well-known semiclassical model, in which quantum degrees of freedom interact with classical ones. We show that, in the classical limit, it is possible to represent classical results (e.g., classical chaos) by means a pure-state density matrix.

The 32CA reactions of a series of pairs of bent three-atom-components (B-TACs) and linear TACs (L-TACs) towards electrophilic dicyanoethylene (DCE) have been studied within the Molecular Electron Density Theory in order to understand their different reactivity. ELF analysis indicates that while pseudodiradical B-TACs change their electronic structure to pseudoradical or carbenoid L-TACs upon dehydrogenation, zwitterionic B-TACs experience no remarkable change. Analysis of the CDFT indices indicates that five of the nine studied TACs have a strong nucleophilic character, thus participating in polar reactions towards electrophilic ethylenes. The activation energies of the 32CA reactions of the nine TACs towards electrophilic DCE range from 0.6 to 22.0 kcal·mol-1, which are by between 2.0 and 10.1 kcal·mol-1 lower than those involved in the non-polar 32CA reactions with ethylene. In general, B-TACs are more reactive than their L-TAC counterparts. A change of the regioselectivity is found in these polar 32CA reactions; in general, while B-TACs are meta regioselective, L-TACs are ortho regioselective. Analysis of the geometrical parameters indicates that at all TSs, the formation of the single bond involving the most electrophilic C4 carbon of DCE is more advanced than that involving the C5 one. A change of the asynchronicity in the reactions involving B-TACs and L-TACs is also found.

Accurate and efficient determination of excited-state polarizabilities (α) is an open problem both experimentally and computationally. Following our previous work, [Phys. Chem. Chem. Phys. 2023, 25, 2131−2141], where one can employ simple ground-state density-based functions from the information-theoretic approach (ITA) to accurately and efficiently predict the macromolecular polarizabilities, we aim to predict the lowest excited-state polarizabilities in this work. The philosophy is to use density-based functions to depict the excited-state polarizabilities. As a proof-of-principle application, employing 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as model systems, we have verified that either with the ground-state (S0) or excited-state (S1) densities as input, ITA quantities can be strongly correlated with the excited-state polarizabilities. When the transition densities are considered, both S0 and S1 polarizabilities are in good relationships with some ITA quantities. Furthermore, excitation and emission energies can be predicted based on multivariant linear regression equations of ITA quantities.

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

High-level quantum-chemical computations (G4MP2) are carried out in the study of complexes featuring tetrel bonding between the carbon atom in the carbenoid CB11H11 - obtained by hydride removal in the C-H bond of the known closo-monocarbadodecaborate anion CB11H12() and acting as Lewis acid (LA) - and Lewis bases (LB) of different type; the electron donor groups in the tetrel bond feature carbon, nitrogen, oxygen, fluorine, silicon, phosphorus, sulphur and chlorine atomic centers in neutral molecules as well as anions H(-), OH(-) and F(-). The empty radial 2pr vacant orbital on the carbon center in CB11H11 , which corresponds to the LUMO, acts as a Lewis acid or electron attractor, as shown by the molecular electrostatic potential (MEP) and electron localization funcion (ELF). The thermochemistry and topological analysis of the complexes {CB11H11:LB} are comprehensively analyzed, and classified according to sharing or closed-shell interactions. ELF analysis shows that the tetrel C···X bond ranges from very polarised bonds, as in H11B11C:F() to very weak interactions as in H11B11C···FH and H11B11C···O=C=O.

The Sulfur Dioxide (SO2) compound is a primary environmental pollutant worldwide, whereas elemental Sulfur (S) is a global commodity possessing a variety of industrial as well as commercial functions. The chemical relationship between poisonous SO2 and commercially viable elemental S has motivated this investigation using Density Functional Theory calculation of the relative transition state barriers for the 2-step Dehydro-sulfurization oxidation-reduction reaction. Additionally, doubly-charged nanoscale platelet Molybdenum Disulfide (MoS2), Armchair (6,6) Carbon Nanotube, 28-atom Graphene nanoflake (GR-28), and Fullerene C-60 are utilized as catalysts. The optimal heterogeneous and homogeneous catalysis pathways of the 2-step oxidation-reduction from SO2 to elemental S are further inspired by the biomimicry of the honeybee species multi-step bio-catalysis of pollen conversion to organic honey. Potential applications include environmental depollution, the mining of elemental sulfur, and the functionalization of novel technologies such as the recently patented aerial and amphibious Lynchpin TM drones.

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

The electrochemical CO2 reduction reaction can lead to high value-added molecules production while helping decrease anthropogenic CO2 emissions. Copper can reduce CO2 to more than thirty different hydrocarbons and oxygenates, but it lacks the required selectivity. We present a computational investigation of the role of nano-structuring and alloying in Cu-based catalysts on the activity and selectivity of CO2 reduction to one-carbon products: carbon monoxide, formic acid, formaldehyde, methanol, and methane. The adsorption, activation, and conversion of CO2 were computed on monometallic and bimetallic (decorated and core-shell) 55-atom Cu-based clusters. The dopant metals considered were Ag, Cd, Pd, Pt, and Zn, located at different coordination sites. The relative binding strength of the intermediates at different applied potentials were used to identify the optimal catalyst for the selective CO2 conversion to one carbon products. It was discovered that single atom doping with Cd and Zn is optimal for the CO2 to carbon monoxide conversion. The core-shell models with Ag, Pd, and Pt provided higher selectivity for formic acid and formaldehyde. The Cu-Pt and Cu-Pd showed lowest overpotential for methane formation.

The endothelium plays a key role in blood vessel health. At the interface of the blood, it releases several mediators that regulate local processes and that protect against the development of cardiovascular disease. In this interplay, there is increasing evidence for a role of extracellular nucleotides and endothelial purinergic P2Y receptors (P2Y-R) in vascular protection. Recent advances have revealed that endothelial P2Y1-R and P2Y2-R mediate nitric oxide-dependent vasorelaxation as well as endothelial cell proliferation and migration, which are processes involved in the regeneration of damaged endothelium. However, endothelial P2Y2-R, and possibly P2Y1-R, have also been reported to promote vascular inflammation and atheroma development in mouse models, with endothelial P2Y2-R also being described as promoting vascular remodeling and neointimal hyperplasia. Interestingly, at the interface with lipid metabolism, P2Y12-R has been found to trigger HDL transcytosis through endothelial cells, a process known to be protective against lipid deposition in the vascular wall. Better characterization of the role of purinergic P2Y-R and downstream signaling pathways in determination of the endothelial cell phenotype in healthy and pathological environments has clinical potential for the prevention and treatment of cardiovascular diseases.

The history of agricultural terraces dates back to agricultural society; and throughout history, they have enabled agricultural activities to be carried out on lands with irregular relief. They have also served as an essential element of rural landscapes due to their architectural features, building materials, and techniques, as well as the landscapes they create. Furthermore, terraces also contribute to soil conservation by preventing erosion, adding organic matter to the soil, and harvesting rainwater. The significance of agricultural terraces in the cultural landscape has triggered the need to define and classify them. In this regard, agricultural terraces across many different locations have found their place on the List of Globally Important Agricultural Heritage Sites (GIAHS) and UNESCO cultural heritage lists. In the present study, the agricultural terraces of the Erikli neighborhood of the Uzundere district were mapped through surveys, drone shots, and orthophotos, and analyzed based on the size and density indices previously used in the classification of Alpine terraces. The study is important in terms of demonstrating the use of drone technology in mapping agricultural terraces. The results of the study revealed that 51.6% of the agricultural terraces in the study area had very steep slopes and 22195 meters of total stone wall length, the average density index was 523.29 m/ha, and 76.4% of the terraces were meso and macro in character. Moreover the study shows that the terraces in the region are more susceptible to deterioration.

Active galactic nuclei (AGNs) are throwing in the interstellar space huge jets of energy in the form of elementary particles. The calculation of the energy density of space in the centre of the black hole with the mass of the Sun shows that in the space-time singularity of such a black hole energy density of space there is so low that atoms become unstable and fall apart into elementary particles. In this sense, AGN is a rejuvenating system of the universe. It transforms its own old matter into fresh energy in the form of jets.

Although many policosanols from different sources, such as sugar cane, rice bran, and insects, have been marketed worldwide, there has been no comparative study of the in vivo efficacy using a hyperlipidemic animal model. This study compared the efficacy of treating dyslipidemia with four different policosanols, including one sugar cane wax alcohol from Cuba (Raydel®) and three policosanols from China (Xi’an Natural sugar cane, Xi’an Realin sugar cane, and Shaanxi rice bran) in hyperlipidemic zebrafish. After 12 weeks of consumption of each policosanol (final 0.1% in diet, wt/wt) and high cholesterol diet (HCD, final 4%, wt/wt) in a tetrabit, the Raydel policosanol group and Xi’an Natural policosanol group showed the highest survivability of approximately 81%, whereas the Xi’an Realin policosanol group and Shaanxi policosanol group showed 57% and 67% survivability, respectively. Among five HCD groups, the Raydel policosanol group showed the lowest serum total cholesterol (TC, p<0.001 versus HCD control) and triglyceride (TG, p<0.001 versus HCD control) with the highest percentage of high-density lipoproteins (HDL)-C in TC. The Raydel policosanol group also showed the lowest serum aspartate aminotransferase (AST) and alanine aminotransferase (ALT) levels with the least infiltration of inflammatory cells and interleukin-6 production in hepatocytes. In the ovary, the Raydel policosanol group also showed the highest contents of mature vitellogenic oocytes with the lowest production of reactive oxygen species and cellular apoptosis in ovarian cells. In the testis, the Raydel policosanol group also showed the healthiest morphology for spermatogenesis with the least interstitial area and reactive oxygen species (ROS) production in testicular cells. In conclusion, 12 weeks of Raydel policosanol consumption resulted in remarkable improvement of the blood lipid profile, amelioration of inflammation in the liver, and enhancement of the cell morphology in the ovary and testis with the highest survivability under the HCD.

Sediment plumes, released to the Bering Sea from the delta front of the Yukon River, Alaska, are initiated mainly by glacier-melt sediment runoffs in the glacierized regions of the Yukon River drainage basin. The surface sediment plumes are extended around the fan-shaped Yukon River delta, which is followed by the northwestward dispersion. During continuous measure-ments of the Yukon River discharge and sediment load, behaviors of the sediment plumes were explored by shipboard observations in the Bering Sea offshore from the Yukon delta. At the high river sediment load of ca. 3000 kg/s, the plume partially plunged into the sea bottom layer. The plunging probably originated in the nepheloid-layer formation from the flocculation of river-suspended sediment, of which more than 90 %wt. is silt and clay (grain size d < 0.063 mm). In order to numerically obtain the area of the surface sediment plumes, a satellite image analy-sis was performed by using three near-infrared bands in MODIS/Aqua or MODIS/Terra. The plume area was significantly correlated (R2=0.735, p<0.01) to the sediment load averaged for the two days with time lags of 20 days and 21 days to the date of a certain satellite image. Hence, the dispersion of plume-suspended sediment appears to be controlled by the sediment runoff events in the Yukon River rather than the northward “Alaskan Coastal Water”.

The topic of this paper is the airborne evaluation of ICESat-2 Advanced Topographic Laser Altimeter System (ATLAS) measurement capabilities and surface-height-determination over crevassed glacial terrain, with a focus on the geodetical accuracy of geophysical data collected from a helicopter. To obtain surface heights over crevassed and otherwise complex ice surface, ICESat-2 data are analyzed using the density-dimension algorithm for ice surfaces (DDA-ice), which yields surface heights at the nominal 0.7~m along-track spacing of ATLAS data. As the result of an ongoing surge, Negribreen, Svalbard, provided an ideal situation for the validation objectives in 2018 and 2019, because many different crevasse types and morphologically complex ice surfaces existed in close proximity. Airborne geophysical data, including laser altimeter data (profilometer data at 905~nm frequency), differential Global Positioning System (GPS), Inertial Measurement Unit (IMU) data, on-board-time-lapse imagery and photographs, were collected during two campaigns in summers of 2018 and 2019. Airborne experiment setup, geodetical correction and data processing steps are described here. To date, there is relatively little knowledge of the geodetical accuracy that can be obtained from kinematic data collection from a helicopter. Our study finds that (1)~Kinematic GPS data collection with correction in post-processing yields higher accuracies than Real-Time-Kinematic (RTK) data collection. (2)~Processing of only the rover data using the Natural Resources Canada Spatial Reference System Precise Point Positioning (CSRS-PPP) software is sufficiently accurate for the sub-satellite validation purpose. (3)~Distances between ICESat-2 ground tracks and airborne ground tracks were generally better than 25~m, while distance between predicted and actual ICESat-2 ground track was on the order of 9~m, which allows direct comparison of ice-surface heights and spatial statistical characteristics of crevasses from the satellite and airborne measurements. (4)~The Lasertech Universal Laser System (ULS), operated at up to 300~m above ground level, yields full return frequency (400~Hz) and 0.06-0.08~m on-ice along-track spacing of height measurements. (5)~Cross-over differences of airborne laser altimeter data are 0.1918 $\pm$ 2.385~m along straight paths over generally crevassed terrain, which implies a precision of approximately 2.4~m for ICESat-2 validation experiments. (6)~In summary, the comparatively light-weight experiment setup of a suite of small survey equipment mounted on a Eurocopter (Helicopter AS-350) and kinematic GPS data analyzed in post-processing using CSRS-PPP leads to high accuracy repeats of the ICESat-2 tracks. The technical results (1)-(6) indicate that direct comparison of ice-surface heights and crevasse depths from the ICESat-2 and airborne laser altimeter data is warranted. The final result of the validation is that ICESat-2 ATLAS data, analyzed with the DDA-ice, facilitate surface-height determination over crevassed terrain, in good agreement with airborne data, including spatial characteristics, such as surface roughness, crevasse spacing and depth, which are key informants on the deformation and dynamics of a glacier during surge.

We construct a novel family of summation-integral type hybrid operators in terms of shape parameter $\alpha\in \lbrack 0,1]$ in this paper. Basic estimates, rate of convergence, and order of approximation are also studied using the Korovkin theorem and the modulus of smoothness. We investigate the local approximation findings for these sequences of positive linear operators utilising Peetre's K-functional, Lipschitz class, and second-order modulus of smoothness.

Titanium dioxide nanoparticles have risen concerns about their possible toxicity and the European Food Safety Authority recently banned the use of TiO2 nano-additive in food products. Following the intent of relating nanomaterials atomic structure with their toxicity without having to conduct large scale experiments on living organisms, we investigate the aggregation of titanium dioxide nanoparticles using a multi-scale technique: starting from ab initio Density Functional Theory to get an accurate determination of the energetics and electronic structure, we switch to classical Molecular Dynamics simulations to calculate the Potential of Mean Force for the connection of two identical nanoparticles in water; the fitting of the latter by a set of mathematical equations is the key for the upscale. Lastly, we perform Brownian Dynamics simulations where each nanoparticle is a spherical bead. This coarsening strategy allows studying the aggregation of a few thousand nanoparticles. Applying this novel procedure, we find three new molecular descriptors, namely, the aggregation free energy and two numerical parameters used to correct the observed deviation from the aggregation kinetic described by the Smoluchowski theory. Molecular descriptors can be fed into QSAR models to predict the toxicity of a material knowing its physicochemical properties, without having to conduct large scale experiments on living organisms.

In the context of carbon emissions peak, environmental issues highlight the importance of the green economy, how does economic agglomeration release growth potential and enable the coordinated development of the economy and environment? There are few works of literature to analyze it within the framework of spatial economy. This paper constructs a theoretical model to clarify the influence mechanism of economic agglomeration on green total factor productivity (GTFP), and then uses a dynamic SDM model to test the theoretical hypothesis. This contribution has three main findings. First, there is a "U-shaped" curve relationship between economic agglomeration and GTFP, and the formation mechanism is that economic agglomeration has a threshold effect on the agglomeration externalities such as infrastructure sharing, knowledge spillover, and labor market upgrading. Second, the mismatch of industrial structure is an important reason that the economic agglomeration in this region has not produced an obvious spatial spillover effect on other regions; Relaxing restrictions on the concentration of economic activity to regional centers would contribute to the improvement of GTFP. Third, GTFP has the classic "snowball effect" in the time dimension, but has the obvious "warning effect" in the space and time dimension. Based on this, this paper believes that at the present stage, it is necessary to adapt to the layout of economic geography, promote the rational allocation of human resources in the territorial space, promote the coordination between economic agglomeration and the development goal of green economy, and at the same time, it is necessary to cultivate the cooperative linkage mechanism of green economy development and transformation among cities.

The main aim of this paper is to analyse the performance of different intelligent compaction measurement values (ICMVs) and compare them with spot test measurements for asphalt pavement. To accomplish this, a two-layer asphalt testbed was constructed using an instrumented double-drum roller. All ICMVs [compaction meter value ( ), compaction control value ( ), roller-integrated stiffness ( ), and vibratory modulus ( )] were calculated using the same accelerometer data collected during the construction of the asphalt testbed. A novel method using the cross-correlation technique was developed to estimate the phase lag between the excitation force of the roller drum and the ground reaction, which is required for and calculations. The analysis of ICMV data showed a strong correlation between and , while and demonstrated a strong correlation only when double jump of the roller drum did not occur. Further, none of the ICMVs recorded during the last roller pass of asphalt compaction showed an acceptable correlation with asphalt densities [measured using a non-nuclear density gauge (NNDG)], mainly due to the influences of the underlying support and asphalt temperature on ICMVs. A correction method to decouple the influence of underlying support on was developed and validated using existing data from the literature. The applicability of this method for different field scenarios was demonstrated using numerical modelling.

A better understanding of the expected future cyclonic activity, especially in the Mediterranean Basin in winter, is essential for developing scientifically based adaptation and mitigation methods to extreme precipitation and wind anomalies. The aim of this study is to analyze the change of winter cyclonic activity in the Mediterranean-Black Sea region, within the Atlantic–European region, at the beginning (as the recent historical period), middle and end of the 21st century. The projections are based on an ensemble of seven CMIP6 models, which showed the best consistency with NCEP/NCAR and ERA5 reanalysis, under the intermediate SSP2-4.5 and highest-emission SSP5-8.5 scenarios. The results show a consistent increase of the frequency of cyclones over Central Europe and the British Isles associated with the shift of cyclone tracks: norward from the Western Mediterranean region and southward from the Iceland Low. The latter leads to a decrease of the frequency in the north of the Atlantic–European region. At the same time, there is a reduction of the frequency of cyclones over the east of the Mediterranean Sea consistent with the decrease of cyclogenesis events. Area-averaged cyclone numbers in the Western and Eastern Mediterranean and the Black Sea subregions reduce to the end of the century under the highest-emission scenario, but not constantly and with a raise in the middle of the 21st century under both scenarios, which may be linked to the long-term multidecadal variability or regional features. In general, our study shows that the future winter cyclonic activity in the Mediterranean-Black Sea region responds unevenly to global climate changes, because regional and monthly features are important, as well as accounting for the long-term quasiperiodic variability.

The present review article concludes with three different types of materials recently used to enhance the efficiency of supercapacitors. The first type involves carbon-based materials for storage and supercapacitor applications. The carbon materials could be obtained naturally and synthesized manually based on the needs. The second type discusses the recent advances in metal oxide materials for high-performance supercapacitors. The metal oxide materials involve in different types of attachment through the bi-tri metallic bonding, which enhances the specific capacitance. The third type involves recently advanced materials for high energy and power density application. The power and energy density of the materials is enhanced by the surface modification of the materials. In recent days, the MXene and Nano-composite materials seems to be an appropriate material to increase the power and energy density of the device.

The false codling moth (FCM), Thaumatotibia leucotreta (Meyrick), is believed to have originated from Ethiopia and sub-Saharan Africa. Currently, this pest has extensively spread and is found in most parts of Africa, with records in approximately 40 countries in over 100 host plant species. Despite Thaumatotibia leucotreta being the leading cause of interceptions of Capsicum and cut flowers exported by Kenya to the European Union, information on abundance and damage levels inflicted on capsicum is limited. The objective of the study was to assess the abundance and damage levels of T. leucotreta on capsicum in the selected counties in Lower Eastern Kenya (Kitui, Machakos, and Makueni counties). Higher T.leucotreta larval density per farm was recorded in Kitui County compared to other counties. In farms with capsicum only (not intercropped with other crops), the mean number of FCM larvae was relatively higher in Kitui. Farming practices such as the use of uncertified seeds and seedlings and the excessive use of pesticides may be the major contributors to high larval incidence in Kitui County.

Turbulence is a fluid dynamic problem refractory to mathematical treatment. Examining a theoretical model of liquid water flowing in a cylinder at different Raleigh numbers, we propose a novel approach to elucidate the first stages of turbulent flows. The weakly bonded molecular assemblies of liquid water form a fluctuating branched polymer in which every micro-cluster displays different density. Against the common view of liquid water as an incompressible and continuous fluid, we suggest that the occurrence of transient local aggregates could be able to generate the vortices and eddies that are the hallmarks of turbulence. We quantify the local changes in velocity, diameter and density required to engender “obstacles” to the average flow. Then, we show how these microstructures, equipped with different Raleigh numbers and characterized by high percolation index, could generate boundary layers that contribute to micro-vortices production. We conclude that the genesis of turbulence cannot be assessed in terms of collective phenomena, rather is sustained, among many other factors, by the underrated microscopic inhomogeneities of fluids like liquid water.

The reported study was devoted to the investigation of viscoelastic behavior for solid and porous ultra-high-molecular-weight polyethylene (UHMWPE) under compression. The obtained experimental stress curves were interpreted using a two-term Prony series to represent the superposition of two coexisting activation processes corresponding to long molecular (~160 s) and short structural (~20 s) time scales, respectively, leading to good statistical correlation with the observations. In the case of porous polymer, the internal strain redistribution during relaxation was quantified using Digital Image Correlation (DIC) analysis. The strongly inhomogeneous deformation of the porous polymer was found not to affect the relaxation times. In order to generalize the results to three dimensions, X-ray tomography was used to examine the porous structure at the macro- and micro-scale levels. DIC analysis revealed positive correlation between the applied force and relative density. The apparent stiffness variation for UHMWPE foams with mixed open and closed cells was described using a newly proposed three-term expression. Furthermore, the in situ tensile loading and X-ray scattering study was applied for isotropic solid UHMWPE specimens to investigate their parameters of internal structure during orientation and stress relaxation process at another mode.

Temperature influences the life of many organisms in various ways. A great number of them live under conditions, where their ability to adapt to changes in temperature can be vital and largely determine their fitness. Understanding the mechanisms and principles underlying this ability to adapt can be of great advantage, for example, to improve growth conditions for crops and increase their yield. In times of imminent, increasing climate change, this becomes even more important, in order to find strategies and help crops cope with these fundamental changes. There is intense research in the field of acclimation, that comprises fluctuations of various environmental conditions, but most acclimation research focuses on regulatory effects and the observation of gene expression changes within the examined organism. As thermodynamic effects are a direct consequence of temperature changes, these should necessarily be considered in this field of research, but are often neglected. Also, compensated effects might be missed, even though they are equally important for the organism, since they do not cause observable changes, but rather counteract them. In this work, using a systems biology approach, we demonstrate that even simple network motifs can exhibit temperature dependent functional features, resulting from the interplay of network structure and the distribution of activation energies over the involved reactions. The demonstrated functional features are (i) the reversal of fluxes within a linear pathway, (ii) a thermo-selective branched pathway with different flux modes and (iii) the increased flux towards carbohydrates in a minimal calvin cycle that was designed to demonstrate temperature compensation within reaction networks. By this, we expand the scope of thermodynamic modelling of biochemical processes by addressing further possibilities and effects, following established mathematical descriptions of biophysical properties.

This paper discusses about the quantum energy levels of muonic hydrogen considering only Coulomb interaction. The computational analysis in this paper will help the reader get a good understanding of how different a muonic hydrogen is from its electronic counterparts. Energy eigenvalues are calculated by numerical method and the probability density distribution of muon around the nucleus is plotted for different quantum states using special functions. The code is written in python. A comparative study of emission spectra between the muonic hydrogen and hydrogen has also been discussed.

While modeling data in reality, uncertainties in both data (aleatoric) and model (epistemic) are not necessarily Gaussian. The uncertainties could appear with multimodality or any other particular forms which need to be captured. Gaussian mixture models (GMMs) are powerful tools that allow us to capture those features from a unknown density with a peculiar shape. Inspired by Fourier expansion, we propose a GMM model structure to decompose arbitrary unknown densities and prove the property of convergence. A simple learning method is introduced to learn GMMs through sampled datasets. We applied GMMs as well as our learning method to two classic neural network applications. The first one is learning encoder output of autoencoder as GMMs for handwritten digits images generation. The another one is learning gram matrices as GMMs for style-transfer algorithm. Comparing with the classic Expectation maximization (EM) algorithm, our method does not involve complex formulations and is capable of achieving applicable accuracy.

This article reviews recent innovations in piezoelectric actuators, then indicates the future research targets. In the materials, the piezoelectric performances of relaxor-lead titanate (PZN-PT, PMN-PT) single crystals have been improved significantly by an AC electric poling technique. Also new loss characterization techniques facilitate developing high-power density piezoelectrics. The RMS vibration velocity reaches 0.6 m/s in the k₃₁ mode in lead zirconate titanate (PZT) nowadays, which corresponds to power density 30 W/cm³. Pb-free materials are urged due to the recent political regulation on toxic materials. In device designs, the original multilayer actuators (MLA) with Ag/Pd electrode have been switched to the ones with Cu or pure Ag, in order to suppress the heat generation, then to enhance the device power density. Piezoelectric micro-electro-mechanical-systems (MEMS’s) started to utilize the <1 0 0> oriented epitaxial films of rhombohedral PZT compositions, which exhibits enhanced piezoelectric properties. Also for higher-power applications, aero-sol deposition (AD) methods have been introduced to 10 -thick films. Regarding drive/control techniques in piezo-actuators, three developments are on-going, that is, “negative capacitance” power supplies for driving off-resonance (pseudo-DC) piezo-actuators, capacitive AC power supplies for efficiently driving resonance piezo-actuators, and DC/DC converters for harvesting electric energy from high-impedance piezoelectric devices under noise vibration. The applications of piezoelectric actuators in the 21^st century seem to be oriented toward “politico-engineering” with four keywords, “cooperation, protection, reduction, and continuation”. The sustainability technologies include the following piezoelectric items: (a) Pb-free piezoelectrics, (b) ultrasonic technology for decomposing hazardous materials, (c) reduction of contamination gas, (d) piezoelectric energy harvesting, and (e) device improvement with high energy-efficiency. On the other hand, the following crisis technologies have been developed with piezoelectrics: (a) detection and neutralization technologies of infectious/epidemic diseases such as anthrax, (b) autonomous unmanned underwater, aerial, and land vehicles with piezoelectric actuators, (c) pin-point target weapons, (d) high voltage supplies with piezoelectric transformers, and (e) compact energy sources for remote actuating/sensing systems.

Electronic structure calculations have been carried out to examine the effect of protonation and water molecules on the heme group of peroxidases in different redox (ferric, ferrous, compounds I and II) and spin states. Shared geometries, spectroscopic properties at Soret region, and thermodynamics of peroxidases are discussed. B3LYP and M06-2X density functionals with different basis sets were employed on a common molecular model of the active site (Fe-centred porphine and proximal imidazole). Computed Gibbs free energies indicate that the corresponding aquo complexes are not thermodynamically stable, supporting the five-coordinate Fe(III) centre in native ferric peroxidases, with a water molecule located at a non-bonding distance. Protonation of the ferryl oxygen of compound II is discussed in terms of thermodynamics, Fe–O bond distances, and redox properties. It is demonstrated that this protonation is necessary to account for the experimental data and computed Gibbs free energies that reveal pKa values of compound II about 8.5 – 9.0. Computation suggests that the origin of the general oxidative properties of peroxidase species, as well as their reactivity towards water and protons and Soret spectral properties, mostly resides on the iron porphyrin and its proximal ligand histidine.

Organic light-emitting diodes (OLEDs) are energy-efficient; however, the coordinating ligand can affect their stability. Sky-blue phosphorescent Pt(II) complexes with a C^N chelate, fluorinated-dbi (dbi = [1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole]), and acetylactonate (acac)(1)/picolinate (pic)(2) ancillary ligands were synthesized. The molecular structures were characterized using various spectroscopic methods. The Pt(II) coordination sphere in 2 exhibited a distorted square-planar geometry, with several intra- and inter-molecular interactions involving Cπ⋯H/Cπ⋯Cπ stacking. Complex 1 emitted bright sky-blue light (λmax = 485 nm) with a moderate photoluminescent quantum efficiency of 0.37 and short decay time (6.1 µs) compared to those of 2. Time-dependent density functional theory calculations suggested that the electronic transition of 1 arose from ligand(C^N)-centered π–π* transitions combined with metal-to-ligand charge transfer transitions (MLCT), whereas that of 2 arose from MLCT and ligand(C^N)-to-ligand(pic) charge transfer (LLCT), with minimal contribution from the C^N chelate to the lowest unoccupied molecular orbital. Multi-layered phosphorescent OLEDs using 1 as a dopant and a mixed host, 3,3-di(9H-carbazol-9-yl)-1,1-biphenyl:3-di(9H-carbazol-9-yl)-1,1-biphenyl (mCBP)/9-(3’-carbazol-9-yl-5-cyano-biphenyl-3-yl)-9H-carbazole-3-carbonitrile (CNmCBPCN) were successfully fabricated. At a 10% doping of 1, a current efficiency of 13.6 cd A−1 and external quantum efficiency of 8.4 % at 100 cd m−2 were achieved. These results show that the ancillary ligand in phosphorescent Pt(II) complexes must be considered.

The Mediterranean basin is a hot spot of climate change where the Posidonia oceanica (L.) Delile (PO) and other seagrass are under stress due to its effect on marine habitats and the rising influence of anthropogenic activities (tourism, fishery). The PO and seabed ecosystems, in the coastal environments of Pantelleria and Lampedusa, suffer additional growing impacts from tourism in synergy with specific stress factors due to increasing vessel traffic for supplying potable water, fossil fuels for electrical power generation. Earth Observation (EO) data, provided by high resolution (HR) multi/hyperspectral operative satellite sensors of the last generation (i.e. Sentinel 2 MSI and PRISMA) have been successfully tested, using innovative calibration and sea truth collecting methods, for monitoring and mapping of PO meadows under stress, in the coastal waters of these islands, located in the Sicily Channel, to better support the sustainable management of these vulnerable ecosystems. The area of interest in Pantelleria was where the first prototype of the Italian Inertial Sea Wave Energy Converter (ISWEC) for renewable energy production was installed in 2015, and sea truth campaigns on the PO meadows were conducted. The PO of Lampedusa coastal areas, impacted by ship traffic linked to the previous factors and tropicalization effects of Italy southernmost climate change transitional zone, was mapped through a multi/hyper spectral EO-based approach, using training/testing data provided by side scan sonar data, previously acquired. Some advanced machine learning algorithms (MLA) were successfully evaluated with different supervised regression/classification models to map seabed and PO meadow classes and related Leaf Area Index (LAI) distributions in the areas of interest, using multi/hyperspectral data atmospherically corrected via different advanced approaches.

The aerospace industry develops prognosis and health management algorithms to ensure better safety on board. Particularly for in-flight controls where jamming is dreaded. For that, vibration signals are monitored to predict future defect occurrences. However, time series are not labeled according to severity level, and the user can only assess the system health from the data mining procedure. To that extent, we developed a clustering algorithm using a deep neural network core. We encoded the time series into pictures to be feed into an artificially trained neural network: U-NET. From the segmented output, one-dimensional information on cluster frontiers is extracted and filtered without any parameter selection. Then, a kernel density estimation finally transforms the signal into an empirical density. Ultimately, a Gaussian mixture model extracts the latter independent components. The method empowered us to reveal different degrees of severity faults in the studied data, with their respective likelihood without prior knowledge. We compared it to state-of-the-art machine learning algorithms. However, internal clustering results evaluation for time series is an open question. As state-of-the-art indexes were not producing relevant results, we built a new indicator to fulfill this task. We applied the whole method to an actuator consisting of an induction machine linked to a ball screw. This study lays the groundwork for future training of diagnosis and prognosis structures in the health management framework.

The urban environment induces stress on trees and the impact can be identified by observing the condition of the crown. The aim of this study is to correlate the variables crown density (Cdn), crown transparency (Ctr) and dieback (Cdie) with the following vegetation indices: normalized difference vegetation index (NDVI), enhanced vegetation index (EVI2), blue normalized difference vegetation index (BNDVI), green normalized difference vegetation index (GNDVI), green-red vegetation Index (GRVI) and red-green-blue vegetation index (RGBVI) of the tree crown located in urban green areas, as well as chlorophyll fluorescence (Fv/Fm) as an indirect indicator of tree health condition. A total of 549 trees were evaluated, represented in 24 families, 36 genera and 53 species; the variables had average values of 67.96 % in Cdn, 35.19 % in Ctr and 1 % in Cdie. Correlations were found between Fv/Fm, NDVI and BNDVI. NDVI and BNDVI correlated with variables such as Cdn and Ctr, mainly in species such as Ligustrum lucidum, Jacaranda mimosifolia and Fraxinus uhdei. Therefore, it is possible to evaluate tree health condition of trees in urban green environments through the identification of unfavorable conditions at the crown level by using vegetation indices for some of the species studied.

Antarctica and its surrounding environment are considered untouched and thought that it is free from microplastics (MPs) pollution. However, recent studies and science projects have reported MPs in both water and sediment in the South Polar Regions. The reports state that the MP’s pollution occurs in this region due to fishing, tourism, and research activities by the nearby countries and nature's circulation is also part of it. The Antarctic Treaty System (ATS) has received attention on MP’s pollution and initiated research on it. MPs are tiny plastic particles with a size of less than 5 mm. It has two types, 1. Primary MPs have been manufactured directly for various applications like cosmetics and scrubbing etc 2. The secondary MPs are generated by photochemical degradation of large plastics.Although several studies have been done there is a quite gap in our understanding of the concentration, characteristics, and impact of plastics on the ecosystem of the Antarctic Region. The impact of MP’s pollution in this region may be very high. The presence of MP is a serious issue that is affecting not only the aquatic environment but also humans. It is an alarming situation that causes environmental damage. The main objective of this paper is to review MP's introduction, occurrence, sources, harmful effects, and detection methods. This review highlighted the various methodologies and analyses like density separation, microscope observation of MP’s properties Fourier-transform infrared spectroscopy (FTIR), and Raman spectrometer respectively, and urged for more research in the future and gave several recommendations to maintain the pristine region near Antarctica.

In the present study, we studied the effect of apolipoprotein A-1 (APOA1) on the spatial and molecular characteristics of bone marrow adipocytes, using well-characterized ApoA1 knockout mice. APOA1 is a central regulator of high-density lipoprotein cholesterol (HDL-C) metabolism, and thus HDL; our recent work showed that deficiency of APOA1 increases bone marrow adiposity in mice. We found that ApoA1 deficient mice have greatly elevated adipocytes within their bone marrow compared to wild type counterparts. Morphologically, the increased adipocytes were similar to white adipocytes, and displayed proximal tibial-end localization. Marrow adipocytes from wild type mice were significantly fewer and did not display bone-end distribution pattern. The mRNA levels of the brown/beige adipocyte-specific markers Ucp1, Dio2, Pat2, Pgc1a, and the expression of leptin were greatly reduced in the ApoA1 knock-out in comparison to the wild-type mice. In the knock-out mice adiponectin was remarkably elevated. In keeping with the close ties of hematopoietic stem cells and marrow adipocytes, we found that the elevated adiposity in the ApoA1 knock out mice is associated with a significant reduction of the hematopoietic stem cells and common myeloid, but not common lymphoid, progenitors. Moreover, the “beiging”-related marker osteopontin and the angiogenic factor VEGF were also reduced in the ApoA1 knock-out mice, further supporting the notion that APOA1, and most probably HDL-C, regulate bone marrow microenvironment, favouring beige/brown adipocyte characteristics.

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

We present large eddy simulations of a mid-latitude open ocean front using a modified state of the art computational fluid dynamics code. We investigate the energy and information fluxes at the submesoscale/small-scale range in the absence of any atmospheric forcing. We find submesoscale conditions (Ro∼1, Ri∼1) near surface, within baroclinic structures related with partially imbalanced frontogenetic activity. Near surface, the simulations show a significant scale coupling on scales larger than ∼103(m). This is manifested as a strong direct energy cascade and intense mutual communication between scales, where the latter was evaluated using an estimator based on Mutual Information Theory. At scales smaller than ∼103(m) the results show near-zero energy flux, however, at this scale range, the estimator of mutual communication still shows values corresponding with a significant level of communication between them. This fact motivates to investigate the nature of the self-organized turbulent motion at this scale range with weak energetic coupling but where communication between scales is still significant and to inquire into the existence of synchronization or functional relationships between scales with emphasis on eventual underlying non-local processes.

By using the Sala-i-Martin version of extreme bounds analysis, which is based on the cumulative density function, cross-sectional evidence is presented on the robust determinants of the infection and case mortality rates of Covid-19. The results show that, for most part, different factors determine the infection and mortality rates in developed and developing countries. However, common factors are also apparent, including the risk environment, the number of tests per million and the percentage of population over 65. Notwithstanding the possibility that the official data represent a partial reflection of the truth, it is concluded that the results presented in this study provide useful information that may aid decision-making in the fight against the pandemic.

The outbreak of the COVID-19 pandemic has raised concerns about potential environmental factors that could influence the spread and severity of the SARS-CoV-2 virus. Atmospheric pollution, particularly particulate matter (PM), has been suggested as a contributing factor to viral infections and respiratory complications. This two-year observational study aimed to investigate the relation between air pollution and the spread of COVID-19, focusing on PM2.5. Unlike previous studies limited to specific cities or countries, inevitable to use temporal data. Our research analyzed data from various states across the United States, considering both spatial and temporal correlation. The analysis considered the number and geographic distribution of COVID-19 cases along with daily PM2.5 exposure levels, accounting for monthly average PM2.5 exposure, from March 2020 to December 2021. The observed conflicting results of the temporal and spatial correlation present challenges for researchers in understanding the true nature of the relationship between PM2.5 air pollution and COVID-19 cases. The correlation between various factors, such as population density, PM2.5, temperature, and wind speed, and COVID-19 refers to an association or statistical relationship, not causation. Moreover, the intricate interplay of these variables makes it difficult to establish a clear cause-and-effect relationship.

In the study of materials and macromolecules by first-principle methods, the bond order is a useful tool to represent molecules, bulk materials and interfaces in terms of simple chemical concepts. Despite the availability of several methods to compute the bond order, most applications have been limited to small systems because a high spatial resolution of the wave function and an all-electron representation of the electron density are typically required. Both limitations are critical for large-scale atomistic calculations, even within approximate density-functional theory (DFT) approaches. In this work we describe our methodology to quickly compute delocalization indices for all atomic pairs, while keeping the same representation of the wave function used in most compute-intensive DFT calculations on high-performance computing equipments. We describe our implementation into a post-processing tool, designed to work with Quantum ESPRESSO, a popular open-source DFT package. In this way we recover a description in terms of covalent bonds from a representation of wave function containing no explicit information about atomic types and positions.

The optical response of bulk germanium sulfide (GeS) is investigated systematically using different polarization-resolved experimental techniques, such as photoluminescence (PL), reflectance contrast (RC), and Raman scattering (RS). It is shown that while the low-temperature (T=5 K) optical band-gap absorption is governed by a single resonance related to the neutral exciton, the corresponding emission is dominated by the disorder/impurity- and/or phonon-assisted recombination processes. Both the RC and PL spectra are found to be linearly polarized along the armchair direction. The low and room (T=300 K) temperature RS spectra consist of six Raman peaks identified with the help of Density Fuctional Theory (DFT) calculations: Ag1, Ag2, Ag3, Ag4, B1g1, and B1g2, which polarization properties are studied under four different excitation energies. We found that the polarization orientations of the Ag2 and Ag4 modes under specific excitation energy can be useful tools to determine the GeS crystallographic directions: armchair and zigzag.

A detection system, modeled in a graph, uses "detectors" on a subset of vertices to uniquely identify an "intruder" at any vertex. We consider two types of detection systems: open-locating-dominating (OLD) sets and identifying codes (ICs). An OLD set gives each vertex a unique, non-empty open neighborhood of detectors, while an IC provides a unique, non-empty closed neighborhood of detectors. We explore their fault-tolerant variants: redundant OLD (RED:OLD) sets and redundant ICs (RED:ICs), which ensure that removing/disabling at most one detector guarantees the properties of OLD sets and ICs, respectively. This paper focuses on constructing optimal RED:OLD sets and RED:ICs on the infinite king's grid, and presents the proof for the bounds on their minimum densities; [3/10, 1/3] for RED:OLD sets and [3/11, 1/3] for RED:ICs.

A low calcium intake is associated with an increased fracture risk. We assessed the dietary calcium intake in a cohort of Italian individuals evaluated for low bone mineral density (BMD). A 7-day food-frequency questionnaire was administered to 1793 individuals consecutively referred at a Centre of the Italian Society for Osteoporosis, Mineral Metabolism and Skeletal Diseases for low BMD. In 30.3% (544/1793) and 20.9% (374/1793) of subjects the calcium intake was inadequate ( <700 mg/day) and adequate (>1200 mg/day), respectively. Patients with calcium intake <700 mg/day showed a higher prevalence of diabetes mellitus, idiopathic hypercalciuria and food allergy/intolerance (8.1%, 5.1%, 7.2%, respectively) than patients with calcium intake >700 mg/day (5.3%, 3.0%, 4.1%, respectively, p<0.04 for all comparisons), also after adjusting for age, gender and BMI. In 30.3% of fractured subjects the calcium intake was <700 mg/day. In Italy, a low calcium intake is highly prevalent in individuals at risk for low BMD. Importantly, an inadequate calcium intake is highly prevalent even in patients with history of fragility fractures. Only about a fifth of patients at risk for low BMD reported an adequate calcium intake

Microarray patches (MAPs) have the potential to be a safer, more acceptable, easier to use, and more cost-effective means for the administration of vaccines than injection by needle and syringe. Here, we report findings from a randomized, partially double-blind, placebo-controlled Phase I trial using the Vaxxas high-density MAP (HD-MAP) to deliver a measles rubella (MR) vaccine. Healthy adults (N = 63, age 18–50 years) were randomly assigned 1:1:1:1 to four groups: uncoated (placebo) HD-MAPs, low-dose MR HD-MAPs (~3,100 median cell-culture infectious dose [CCID50] measles, ~4,300 CCID50 rubella); high dose MR-HD-MAPs (~9,300 CCID50 measles, ~12,900 CCID50 rubella); or a sub-cutaneous (SC) injection of an approved MR vaccine, MR-Vac (≥1,000 CCID50 per virus). The MR vaccines were stable and remained viable on HD-MAPs when stored at 2–8°C for at least 24 months. When MR HD-MAPs stored at 2–8°C for 24 months were transferred to 40°C for 3 days in a controlled temperature excursion, loss of potency was minimal, and MR HD-MAPs still met World Health Organisation (WHO) specifications. MR HD-MAP vaccination was safe and well-tolerated; any systemic or local adverse events (AEs) were mild or moderate. Similar levels of binding and neutralizing antibodies to measles and rubella were induced by low-dose and high-dose MR HD-MAPs and MR-Vac. The neutralizing antibody seroconversion rates at day 28 after vaccination for the low-dose HD-MAP, high-dose HD-MAP and MR-Vac groups were 37.5%, 18.8% and 35.7% respectively for measles and 37.5%, 25.0% and 35.7% respectively for rubella. Most participants were seropositive for measles and rubella antibodies at baseline, which appeared to negatively impact the number of participants that seroconverted to vaccines delivered by either route. The data reported here suggest HD-MAPs could be a valuable means for delivering MR-vaccine to hard-to-reach populations and support further development. Clinical trial registry number: ACTRN12621000820808.

The Sulfur Dioxide (SO2) compound is a primary environmental pollutant worldwide, whereas elemental Sulfur (S) is a global commodity possessing a variety of industrial as well as commercial functions. The chemical relationship between poisonous SO2 and commercially viable elemental S has motivated this investigation using Density Functional Theory calculation of the relative transition state barriers for the 2-step Dehydro-sulfurization oxidation-reduction reaction. Additionally, doubly-charged nanoscale platelet Molybdenum Disulfide (MoS2), Armchair (6,6) Carbon Nanotube, 28-atom Graphene nanoflake (GR-28), and Fullerene C-60 are utilized as catalysts. The optimal heterogeneous and homogeneous catalysis pathways of the 2-step oxidation-reduction from SO2 to elemental S are further inspired by the biomimicry of the honeybee species multi-step bio-catalysis of pollen conversion to organic honey. Potential applications include environmental depollution, the mining of elemental sulfur, and the functionalization of novel technologies such as the recently patented aerial and amphibious Lynchpin TM drones.

Voids in face-centered cubic (fcc) metals are commonly assumed to form by the aggregation of vacancies; however, the mechanisms of vacancy clustering and diffusion are not fully understood. In this study, we use computational modeling to provide a detailed insight into the structures and formation energies of primary vacancy clusters, mechanisms and barriers for their migration in bulk copper, and how these properties are affected at simple grain boundaries. The calculations were carried out using Embedded Atom Method (EAM) potentials and Density Functional Theory (DFT) and employed the Site-Occupation Disorder code (SOD), the Activation Relaxation Technique nouveau (ARTn) and the Knowledge Led Master Code (KLMC). We investigate stable structures and migration paths and barriers for clusters of up to six vacancies. Migration of vacancy clusters occurs via hops of individual constituent vacancies with di-vacancies having a significantly smaller migration barrier than mono-vacancies and other clusters. This barrier is further reduced when di-vacancies interact with grain boundaries. This interaction leads to the formation of self-interstitial atoms and introduces significant changes into the boundary structure. Tetra-, penta-, and hexa-vacancy clusters exhibit increasingly complex migration paths and higher barriers than smaller clusters. Finally, the direct comparison with the DFT results shows that EAM can accurately describe the vacancy-induced relaxation effects in the Cu bulk and in grain boundaries. Significant discrepancies between the two methods were found in structures with a higher number of low-coordinated atoms, such as penta-vacancies and di-vacancy absortion by grain boundary. These results will be useful for modeling the mechanisms of diffusion of complex defect structures and provide further insights into the structural evolution of metal films under thermal and mechanical stress.

In this paper, we propose a quantitative definition of emergence from the density matrix framework as a state of knowledge of the system and its generalized probability formulation, in order to detect emergent properties. We propose the use of a descriptor based on the difference of von Neumann entropy, to calculate if subsystems of systems have inner correlations by defining emergent systems in terms of emergent information.

The X-ray emission from a supernova remnant (SNR) is a powerful diagnostic of the state of the shocked plasma, and, given a model, can be used to determine the energy of the explosion, the age of the SNR and the density of the surrounding medium. Observed properties are shock radius, electron temperature (kTe) and emission measure (EM) of the shocked-gas. The standard and XSPEC definitions have an important difference. The XSPEC definition is superior for SNRs, which have components with low hydrogen abundance. SNR model calculations are based on hydrodynamic solutions for fluid variables of density, pressure and velocity. The relations between fluid variables and kTe or EM depend on composition, ionization state and electron-ion temperature ratio (Te/TI). Here the effects of composition, ionization and Te/TI on standard and on XSPEC versions of kTe and EM are investigated.

Nowadays, bioeconomy and nanotechnology trends push food packaging sector in the re-placement of food additives by biobased antioxidant/antibacterial compounds and their inclusion in nanocarriers to control their release. Herein by following this trend, a rich in thymol-(TO) activated carbon (AC) nanostructure (TO@AC) was prepared and physiochemically characterized with various technics. This TO@AC nanostructure as well as pure AC were extruded with low density polyethylene (LDPE) to develop novel active packaging LDPE/TO@AC and LDPE/AC films. X-ray diffractometry, Fourier Transform Infrared Spectroscopy and Scanning Electron Microscopy measuraments shown high dispersity and capability of both AC and TO@AC in LDPE matrix which was resulted in enhanced tensile and water/oxygen barrier properties of obtained LDPE/AC and LDPE/TO@AC films. LDPE/TO@AC films shown higher elongation at break values and water/oxygen barrier than LDPE/AC films and significant antioxidant activity. TO release kinetics studies shown that by increasing TO@AC content the total TO amount released increased and the constant release rate decreased. Pork fillets wrapped with the optimum active film containing 15 wt.% TO@AC and succeed to prevent lipid oxidation and heme iron loss during storage. Estimation of microbial population of pork fillets shown that this active film could ex-tend the microbiological shelf-life of pork fillets by 2 days

This paper presented a two-dimensional, well-balanced hydrodynamic and sediment transport model based on the solutions of variable density shallow water equations (VDSWEs) for sediment-laden flows, and the Exner equation for bed changes. Those equations are solved in a coupled way by the first-order Godunov-type finite volume method. The Harten-Lax-van Leer-Contact (HLLC) Riemann solver is extended to find the local Riemann fluxes in order to maintain the exact balance between the momentum term and the bed slope term. The advantage of a well-balanced scheme over an unbalanced scheme is demonstrated by the synthetic standing contact-discontinuity test case. Then, the model is employed to simulate two laboratory experiments. At last, a field case, the 1996 Lake Ha! Ha! flood event (Canada), is simulated. Results of cross sectional geometries and profiles of longitudinal thalweg agree well with measurements. The accuracy and simplicity of the numerical model, together with the robust implementation, make the model a good candidate for practical engineering applications.

Carbazole is one of the typical heterocyclic aromatic compounds (NSO-HETs) observed in pol-luted urban atmosphere, which has become a serious environmental concern. The most im-portant atmospheric loss process of carbazole is the reaction with OH radical. The present work investigated the mechanism of OH-initiated atmospheric oxidation degradation of carbazole by using density functional theory (DFT) calculations at the M06-2X/6-311++G(3df,2p)//M06-2X/6-311+G(d,p) level. The rate constants were determined by the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The lifetime of carbazole determined by OH was compared with other typical NSO-HETs. The theoretical results show that the degradation of carbazole initiated by OH radical includes four types of reactions: OH additions to “bend” C atoms, OH additions to “benzene ring” C atoms, H abstractions from C-H bonds and the H ab-straction from N-H bond. The OH addition to C1 atom and the H abstraction from N-H bond are energetically favorable. The main oxidation products are hydroxycarbazole, dialdehyde, carba-zolequinone, carbazole-ol, hydroxy-carbazole-one and hydroperoxyl-carbazole-one. The calcu-lated overall rate constant of carbazole oxidation by OH radical is 6.52 × 10−12 cm3 molecule−1 s−1 and the atmospheric lifetime is 43.92 h under the condition of 298 K and 1 atm. The lifetime of carbazole determined by OH radical is similar with that of dibenzothiophene oxidation but longer than those of pyrrole, indole, dibenzofuran and fluorene. This work provides a better understanding of the reactivity of carbazole in the atmospheric environment, the formation of secondary organic aerosols, and the chemical degradation and removal of carbazole in the at-mospheric environment.

The elegance of mathematical models in quantum mechanics has often been seen with awe, and especially frustration. Nonetheless, the mathematical physics of quantum mechanics is fascinating beyond measure. And fortunately, there are quite baffling things about quantum mechanics that showed us what we never thought could be seen, making it simpler to figure out the behavior of physical systems without having to delve into the subtleties of the subject. In this paper, we present a review on the density of quantum states in an intuitive fashion that is easily comprehensible to undergraduate students with an elementary background in physics.

Plastics are highly beneficial for the day-to-day activities of human beings; however, their decomposition is limited due to their strong covalent bonding. The concept of degradation of these big molecules into smaller ones or monomers was attempted by several researchers in the preceding decades with limited success. Pyrolysis is one of the ideas used to convert plastics into fuel, rather than small molecules, compared to the crowded structure of polymers. Among these plastics, low-density polyethylene (LDPE) is largely used as carry bags throughout the world, and, herein, the results of catalytic pyrolysis of the conversion of LDPE into fuel are reported. Different dosages of zinc oxide (ZnO) were used as a catalyst to do the pyrolysis at a specific temperature in a batch reactor specially designed at our laboratory. 0.6 g of ZnO was found to be the optimal dosage for a 50 g waste LDPE batch to get the maximum oil yield. The yielded oil was analyzed chemically through Fourier transform infrared spectroscopy (FTIR) and Reformulyzer M4 Hydrocarbon Group Type Analyzer. Evaluation of physical and chemical exergy along with exergetic efficiency of the process was done.

This research investigates the effect of pre-soaking treatment on plant-based aggregate using a wet grout binder to formulate a high-strength lightweight concrete (HSLWC). The surface modification utilising a novel grout soaking technique with various water-to-cement (w/c) ratios indicated a new method of approach for the recent development of lightweight plant-based aggregate (LWPA). In this experiment, the fresh and hardened properties of modified LWPA lightweight concrete were assessed by verifying their workability, densities, compressive and split tensile strengths towards the modulus of elasticity. The results showed that pre-soaking plant-based lightweight aggregate (w/c: 0.6, 0.8, 1.0, and 1.2) slightly increased the density of the samples compared to untreated LWPA. The oven-dry density of treated and untreated LWPA is controlled in the range of HSLWC. The outcomes indicated that the workability of the surface- modified LWPA has significant improvement up to 40% in 6 min for (TDS)/0.6 sample compared to the original LWPA. The mechanical properties of the LWPA concrete with surface modification method exhibit substantial increment of compressive strength, split tensile strength, and modulus of elasticity were recorded at 22%, 26%, and 34%, respectively. Significantly, the findings from this scientific method revealed that the pre-soaking treatment method on LWPA has shown to be a highly recommended technique in improving interfacial bonding while performing as one of the most promising solutions to improve the properties of lightweight concrete.

Our study assessed the impact of using ovitraps with pyriproxyfen on mosquito populations and the feasibility of using human saliva samples to test for seroconversion to dengue virus (DENV). We used a quasi-experimental research design by forming the intervention (n=220) and the control (n=223) groups in neighboring Taguig City, Philippines, over four months. Socio-demographic data, entomological indices, and IgG antibodies against DENV were measured. Associations between the implementation of ovitraps dosed with pyriproxyfen and mosquito densities (percentage positive ovitraps and container indices) and DENV seroconversion were calculated post-intervention in Months 2, 3, and 4. Among participants recruited at baseline, 17 and 13 were seropositive for dengue (DENV) in the intervention and control groups, respectively. Both entomological indices were lower in the treated area than the control site at months two, three, and four post-interventions but not earlier. Dengue seroconversions rates did decrease in the treated population but not significantly so. In conclusion, the use of PPF-treated ovitraps impacted the mosquito population but not the seroconversion rates. Compliance to provide saliva samples and the ability to detect IgG antibodies within these samples were encouraging and suggested that further studies on a larger population and longer duration are warranted.

Low-lying coastal communities are often threatened by compound flooding (CF), which can be determined through the joint occurrence of storm surges, rainfall and river discharge either successively or in close succession. The trivariate distribution can demonstrate the risk of the compound phenomenon more realistically rather than considering each contributing factor independently or in a pairwise dependency. Recently vine copula has been recognized as the highly flexible approach to constructing a higher dimensional joint density framework. In such construction, parametric class copula with parametric univariate marginal distributions is often involved. Such incorporation can lack flexibility due to parametric functions with prior distribution assumptions about their univariate marginal and/or copula joint density. This study introduces the vine copula approach in a nonparametric setting by introducing Bernstein and Beta kernel copula density in establishing trivariate flood dependence. The proposed model is applied to 46 years of flood characteristics collected on the west coast of Canada. The univariate flood marginal distribution is modelled using nonparametric kernel density estimation (KDE). The 2-D Bernstein estimator and Beta kernel copulas estimator are tested independently in capturing pairwise dependencies to establish D-vine structure in a stage-wise nesting approach in three alternative ways, each by permutating the location of the conditioning variable. The best-fitted vine structure is selected using goodness-of-fit (GOF) test statistics. The performance of the nonparametric vine approach is also compared with the vine constructed in the parametric and semiparametric fitting procedure. Investigation reveals that the D-vine constructed using Bernstein copula with normal KDE marginals nonparametrically performed well in capturing dependence of the compound events. Finally, the derived nonparametric model is used in the estimation of trivariate OR- and AND-joint return periods, further employed in estimating failure probability (FP) statistics. The trivariate return periods for the AND-joint case are higher than for the OR-joint case for the same flood combination. Also, the trivariate flood hazard results in a high-value FP than bivariate and univariate events. Ignoring the trivariate dependence could result in the underestimation of FP

Estrogens play a protective role during early life stages. However, endogenous 17β-estradiol (E2) can accelerate atherosclerosis progression in low-grade inflammatory conditions like established atherosclerosis. Our single-center cohort study assessed sex-specific associations of gonadal hormones with oxidative stress, inflammation, and myocardial injury markers in 111 patients (37% women) diagnosed with acute myocardial infarction (MI) between July 2011 and December 2013. Blood samples were collected within 48 hours of symptom onset, and we measured sex steroids (E2, total testosterone [T]), oxidized low-density lipoproteins, high-sensitive C-reactive protein (CRP), white blood cell counts (WBC), and cardiac enzymes (creatine kinase [CK], the CK Muscle-Brain fraction [CK-MB], and high-sensitive troponin T [hsTnT]). The SYNTAX score gauged coronary disease severity from coronary angiography results. In men with acute MI, peak cardiac enzyme levels were predicted by post-percutaneous coronary intervention (PCI) E2 plasma levels (OR 1.011, p=0.047 - CK; OR 1.018, p=0.013 - CK- MB; OR 1.019, p=0.005 - TnT), peak WBC count (OR 1.487, p=0.015 - CK ; OR 1,709, p=0,005 - CK- MB; OR 1.391, p=0.012 - TnT), and peak CRP plasma levels (OR 1.040, p=0.033 - CK; OR 1.024, p=0.029 - CK-MB; OR 1.063, p=0.006 - TnT). T levels and E2/T ratio were associated with post-PCI CRP in these men (OR 0.980, p = 0.024 - T, OR 1.010, p = 0.076 - CRP). For women, peak WBC was a marker of highest testosterone (OR 1.348, p = 0.062), and only WBC was a significant indicator of myocardial injury extent (OR 1.426, p=0.039 - CK; OR 1.384, p=0.036 - CK-MB; OR 1.299, p=0.048 - TnT). During acute MI, elevated endogenous estradiol levels correlate with myocardial necrosis severity in men, while in women, increased leukocyte levels indicate acute myocardial damage. Elevated plasma T is associated with increased WBC in women. In men, post-PCI plasma CRP specifically indicates endogenous T levels and E2/T ratio during the acute phase.

PTB7-Th is an important donor copolymer used in construction of many organic devices and other industrial applications. In this work, we investigate the structure and energetics of PTB7-Th. We employ density functional theory (DFT) (B3LYP), dispersion corrected DFT (B3LYP-D3) and long-range corrected DFT (CAM-B3LYP, LC-BLYP, and ωB97xD) to analyze the conformational structures and their corresponding energies to determine the lowest energy state of PTB7-Th. The role of the alkane side chains is carefully investigated. Our findings indicate that, when branched ethylhexyl side chains are present, the lowest energy structure of PTB7-Th has fluorine in the same plane and the same side as the double bonded oxygen in the TT-CF part of the monomer and S-C-C-S dihedral angles along the chain backbone are cis-like having values in the range of 20-30 degrees in most cases. Without these side chains the polymer, not unexpectedly, has many near conformational degeneracies.

Osteoporosis is a common problem in orthopedic medicine, and it has become an important medical issue in orthopedics as Taiwan is gradually becoming an aging society. In the diagnosis of osteoporosis, the bone mineral density (BMD) derived from dual-energy X-ray absorptiometry (DXA) is the main criterion for orthopedic diagnosis of osteoporosis, but due to the high cost of this equipment and the lower penetration rate of the equipment compared to the X-ray images, the problem of osteoporosis has not been effectively solved for many people who suffer from osteoporosis, however, at present, in clinical diagnosis, doctors are not yet able to accurately interpret X-ray images for osteoporosis manually, and must rely on the data obtained from DXA. In recent years, with the continuous development of artificial intelligence, especially in machine learning and deep learning, significant progress has been made in image recognition. Therefore, it is worthwhile to revisit whether it is possible to use a convolutional neural network model to read a hip X-ray image and then predict the patient's BMD. In this study, we proposed a hip X-ray image segmentation model and a hip X-ray image recognition classification model. First, we used the U-Net model as a framework to segment the femoral neck, greater trochanter, wards triangle, and the total hip in the hip X-ray images. We then performed image matting and data augmentation. Finally, we constructed a predictive model for osteoporosis using deep learning algorithms. In the segmentation experiments, we used intersection over union (IoU) as the evaluation metric for image segmentation, and both the U-Net and U-Net++ models achieved segmentation results greater than or equal to 0.5. In the classification experiments, using the T-score as the classification basis, the total hip using the DenseNet121 model has the highest accuracy of 74%.

To map Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV 2) spreading and evaluate immune responses variations against this virus, it was essential to locally set up efficient serological tests. The SARS-CoV2 immunogenic proteins were very expensive and not affordable mainly for Low and Middle Income Countries (LMICs). For this purpose, the commonly used antigen, Re-ceptor-Binding Domain (RBD) of Spike S1 protein (S1RBD), was produced using the the Baculovirus Expression Vector System (BEVS) . During the current study, the expression of S1RBD was monitored using western blot under different culture conditions. Different parameters were studied: Multiplicity Of Infection (MOI), cell density at infection and harvest time. Hence, optimal conditions for efficient S1RBD production were identified: MOI 3; cell density at infection 2-3x 106 cells/mL and time post-infection (tpi or harvest time) of 72h and 72-96 h successively for expression in shake-flasks and 7L-bioreactor. A high production yield of S1RBD varying between 4mg and 70 mg per liter of crude cell culture supernatant was achieved, respectively, in shake-flasks and in 7L-bioreactor. Moreover, the produced S1RBD showed an excellent antigenicity potential against COVID-19 patient sera evaluated by western blot. Thus, additional serological assays, such as ELISA, were developed using the purified S1RDB (published by other research groups).

Iterative Stochastic decoding is an alternative to standard fixed-point decoding of Low-density parity check codes (LDPC) to reduce inter-node routing. In this paper, we propose a Flexible Field-Programmable Gate Array (FPGA)-Based Stochastic decoding (SD) hardware architecture for LDPC codes in the Fifth-Generation (5G) New Radio (NR) Standard that supports decoding of set of various code rates. This decoder’s runtime flexibility is desirable to switch a better performing code rate automatically based on the channel conditions without the extra time needed for reprogramming of FPGA. An offline design method is implemented to generate the hardware description language (HDL) code description of the decoder for the required code-rate set, which is further synthesized and integrated into the Xilinx Kintex-7 series FPGA board to determine the hardware resource utilisation and processing throughput. The Synopsys design tools were employed during both the simulation and synthesis stages, in combination with TSMC 65-nm CMOS standard cell technology, to facilitate comparative analysis. Compared with state-of-the-art designs, the proposed architecture reduces hardware utilization by up to 26% and achieved energy efficiency by 52%.

The fractional diffusion equations with integrals play a significant role in describing anomalous diffusion phenomena. We first construct an appropriate resolvent family, and use the convolution theorem of Laplace transform, the probability density function, Cauchy integral formula and Fubini theorem to study its related equicontinuity, strongly continuity, compactness, etc. Then, a reasonable mild solution is defined. Finally, by combining some fixed point theorems, we obtain some conclusions on the existence and uniqueness of mild solutions.

Optical properties of the cornea are responsible for correct vision, ultrastructure allows optical transparency and biomechanical properties governs the shape, elasticity or stiffness of the cor-nea affecting ocular integrity and intraocular pressure. Therefore, optical aberrations, corneal transparency, structure and biomechanics play a fundamental role in the optical quality of hu-man vision, ocular health and refractive surgery outcomes. However, the convergence of those properties is not yet reported at macroscopic scale within the hierarchical structure of the cornea. This work explores the relationships between biomechanics, structure and optical properties (corneal aberrations and optical density) at macrostructural level of the cornea through dual Placido-Scheimpflug imaging and air-puff tonometry systems in a healthy young adult popula-tion. Results showed convergence between optical transparency, corneal macrostructure and biomechanics.

Phytoseiidae inhabit a wide range of herbs, shrubs and trees. Aesculus hippocastanum is an important ornamental tree in Europe and is likely reservoir of these mites. We therefore assessed the species composition and the spatial and seasonal variability in the abundance of Phytoseiidae in city parks in South Bohemia, Czech Republic. Leaf samples were randomly collected from horse chestnut tree branches at eight sites, five times during the vegetation season in 2013. The mites were collected by washing technique and mounted on slides for identification. In total, 13,903 specimens of phytoseiid mites were found, and eight species were identified: Amblyseius andersoni, Euseius finlandicus, Kampimodromus aberrans, Neoseiulella tiliarum, Phytoseilus macropilis, Paraseiulus talbii, Paraseiulus triporus and Typhlodromus (Typhlodromus) pyri. Paraseiulus talbii and P. macropilis were recorded on the leaves of horse chestnut trees for the first time in the Czech Republic in this study. The predominant species was E. finlandicus (96.25%). The number of mites per compound leaf was, on average, 2.53, 10.40, 23.54, 11.59 and 9.27 on the sampling dates in each month between May and September, respectively. The mite density was significantly affected by the sampling site and date.

The study of photonic crystals has emerged as an attractive area of research in nanoscience in the last years. In this work we study the properties of a two-dimensional photonic crystal composed of dielectric rods. The unit cell of the system is composed of six rods organized on the sites of a C6 triangular lattice. We induce a topological phase by introducing an angular perturbation ϕ in the pristine system. The topology of the system is then determined by using the so-called k.p perturbed model. Our results show that the system presents a topological and a trivial phases, depending on the sign of the angular perturbation ϕ. The topological character of the system is probed by evaluating the electromagnetic energy density and analyzing its distribution in the real space, in particular on the maximal Wyckoff points. We also find two edge modes at the interface between the trivial and topological photonic crystals, which present a pseudospin topological behavior. By applying the Bulk-Edge correspondence, we study the pseudospin edge modes and conclude that they are robust against defects, disorder and reflection. Moreover, the localization of the edge modes leads to the confinement of light and the interface behaves as a waveguide for the propagation of electromagnetic waves. Finally, we show that the two edge modes present energy flux propagating in opposite directions, which is the photonic analogue of the quantum spin Hall effect.

To improve the measurement accuracy of wood density and study the linear correlation between the drill feed resistance and wood density, a new micro drill instrument that can can simultaneously measure the rotation resistance and feed resistance of the drill needle was designed. The test wood samples included hardwood, softwood and conifer. The absolute dry density of each wood sample was measured. The drill resistance data was tested by using self-developed micro drill instrument and Resistogaph 650-SC. 4 linear models between drill resistance and the absolute dry density of wood . The results showed that: the statistical indicators of each model of the self-made micro drill resistance in-strument were better than the corresponding indicators of Resistogaph 650-SC; the coefficient of determination of the linear regression model between the feed resistance of the self-made micro drill resistance instrument and the absolute dry density of wood was 0.946; the statistical indicators of model including rotation resistance and feed resistance, were better than those of the model only including rotation resistance. Therefor, the design proposed in the article is reasonable, and increasing the feed resistance can improve the measurement accuracy of the micro drill resistance instrument for measuring wood density.

Nickel-base superalloys like VDM 780 may possess a high content of Cr and Co. This influences solution energies of phase-forming elements like Al and Ta (γ′-phase), Nb (γ′′- and δ-phase), and Ti (η-phase). We perform density functional theory studies of a nickel matrix at 0 K with high concentrations of either Co and Cr and calculate the influence of these elements on solution energies. In the case of Co, the solution energy can be predicted well by the nearest-neighbor interaction in the Co-rich matrix. For Cr, the effect is more complicated because Cr has a larger ionic radius and changes the magnetic state of the material. The effect of a Cr-rich matrix on the energy of Co is dominated by magnetic effects, interactions with the other elements by elastic deformation of the lattice.

There is a continuous interest in cannabinoids like Δ9-tetrahydro cannabinol (Δ9-THC) and cannabidiol (CBD). A patent of Webster et al., described the conversion of CBD to either D8-THC or D9-THC, depending on the acid catalyst applied. The use of para-toluene sulfonic acid (pTSA) led to the formation of D8-THC, while boron trifluoride etherate (BF3·Et2O) yielded mainly D9-THC. The enormous difference in product selectivity between these two catalysts was investigated with Molecular Modeling. It was found that pTSA leads to fast isomerization of Δ9-CBD to Δ8-CBD and subsequent ring closure to Δ8-THC. BF3·Et2O catalysis leads to the formation of tertiary carbenium ions in the Transition States which yield D9-THC and some iso D8-THC. Under dry conditions in refluxing toluene, it was found that pTSA is predominantly present as a dimer, and only a small fraction is available as monomeric catalyst. Applying the computationally derived activation barriers in Transition State theory yielded reaction rates predicting amounts of cannabinoids that are in close agreement with the experimental findings.

The sensitivity of exercise ECG is marginally sufficient for detection of mild reduction of coronary blood flow in patients with early coronary atherosclerosis. Here we describe the application of new technique of ECG registration/analysis – ultrahigh resolution ECG (UHR ECG) – for early detection of myocardial ischemia (MIS). The utility of UHR ECG vs. conventional ECG (C ECG) was tested in anesthetized rats and pigs. Transmural MIS was induced in rats by the ligation of the left coronary artery (CA). In pigs, subendocardial ischemia of variable extent was produced by stepwise inflation of balloon within the right CA causing 25-100% reduction of its lumen. In rats, a reduction in power spectral density (PSD) in high-frequency (HF) channel of UHR ECG was registered at 60 s after ischemia (power 0.81±0.14 vs. 1.25±0.12 mW at baseline, p<0.01). This was not accompanied by any ST segment elevation on C ECG. In pigs, PSD in HF channel of UHR ECG was significantly decreased at 25% reduction of CA lumen, while ST segment on C ECG remained unchanged. In conclusion, UHR ECG enabled earlier detection of transmural MIS compared to C ECG. PSD in HF-channel of UHR ECG demonstrated greater sensitivity in the settings of subendocardial ischemia.

Hydrogen-bond (H-bond) energies in 310-helices of short alanine peptides were systematically examined by precise DFT calculations with the negative fragmentation approach (NFA), a modified method based on the molecular tailoring approach. The contribution of each H-bond was evaluated in detail from the 310-helical conformation of total energies (whole helical model; WH3-10 model), and the results were compared with the property of H-bond in a-helix from our previous study. The H-bond energies of the WH3-10 model exhibited tendencies different from those exhibited by the -helix, in that they depended on the helical position of the relevant H-bond pair. H-bond pairs adjacent to the terminal H-bond pairs were observed to be strongly destabilized. The analysis of electronic structures indicated that structural characteristics cause the destabilization of the H-bond in 310-helices. We also found that the longer the helix length, the more stable the H-bond in the terminal pairs of the WH3-10 model, suggesting the action of H-bond cooperativity.

We aimed to develop a non-linear regression model that could predict the fat fraction of the liver (USFF), similar to magnetic resonance imaging proton density fat fraction (MRI-PDFF), based on quantitative ultrasound (QUS) parameters. We measured and retrospectively collected the ultrasound attenuation coefficient (AC), backscatter-distribution coefficient (BSC-D), and liver stiffness (LS) using shear wave elastography (SWE) in 90 patients with clinically suspected non-alcoholic fatty liver disease (NAFLD) and 51 patients with clinically suspected metabolic-associated fatty liver disease (MAFLD). The MRI-PDFF was also measured in all patients within a month of the ultrasound scan. In the linear regression analysis, only AC and BSC-D showed a significant association with MRI-PDFF. Therefore, we developed prediction models using non-linear least-squares analysis to estimate MRI-PDFF based on the AC and BSC-D parameters. We fitted the models on the NAFLD dataset and evaluated their performance in 3-fold cross-validation repeated five times. We decided to use the model based on both parameters to estimate the ultrasound fat fraction (USFF). The correlation between USFF and MRI-PDFF was strong in NAFLD and very strong in MAFLD. According to a receiver operating characteristics (ROC) analysis, USFF could differentiate between <5% vs. ≥ 5% and < 10% vs. ≥ 10% MRI-PDFF steatosis with excellent, 0.97 and 0.91 area under the curve (AUC) accuracy in the NAFLD and with AUCs of 0.99 and 0.96 in the MAFLD groups. In conclusion, USFF calculated from QUS parameters is an accurate method to quantify liver fat fraction and to diagnose ≥ 5% and ≥ 10% steatosis in both NAFLD and MAFLD. Therefore, USFF can be an ideal non-invasive screening tool for patients with NAFLD and MAFLD risk factors.

Consumption of prunes has been shown to slow bone loss after menopause in American women but there is no data on its effects in Asian women. 135 postmenopausal Korean women with osteopenia were randomized to 100g/day of prunes or no prunes with 600U vitamin D and 800mg of calcium for 12 months. Bone density was measured at baseline and 12 months in the lumbar spine, both hips and the L forearm. Serum levels of CTX and P1NP and vitamin D calcium and phosphate were measured at baseline, 6 and 12 months. PTH was measured at baseline if vitamin D was low Four women dropped out of each group over the 12 months. There was no difference between groups in blood measures or bone density in any region over the 12 month trial., In conclusion 100g/day of prunes has no effect in Korean woman on bone density or bone markers.

The copolyester of 3-hydroxybutyrate (3HB) and 3-hydoxyhexanoate (3HHx), PHBHHx, is a bi-odegradable plastic that has a high flexibility, softness, wide process window and marine bio-degradability. PHBHHx is usually produced from structurally related carbon sources such as vegetable oils or fatty acids but not from inexpensive carbon sources like sugars. In the previous studies, we demonstrated that engineered strains of hydrogen-oxidizing bacterium, Cupriavidus necator synthesized PHBHHx with high cellular content from not only sugars but also from CO2 as the sole carbon source in the flask culture. In this study, highly efficient production of PHBHHx from CO2 was investigated by pH-stat jar cultivation of the recombinant C. necator strains with feeding the substrate gas mixture (H2/O2/CO2=8:1:1) to complete mineral medium in recycled-gas closed-circuit culture system. As the result with the strain MF01/pBPP-ccrMeJAc-emd, the dry cell mass and PHBHHx concentration reached up to 59.62 ± 3.18 g･L-1 and 49.31 ± 3.14 g･L-1, respectively after 212 h of jar cultivation with limited addition of ammonia and phosphate solutions. The 3HHx composition was close to 10 mol% which is suitable for practical applica-tions. It is expected that autotrophic cultivation of the recombinant C. necator can be a feasible process for mass production of PHBHHx from CO2.

A 4×2 factorial experiment was conducted to evaluate the potential of feeding dietary gamma-oryzanol and vitamin E tocotrienols in hens reared in 840 (low cage density; LCD) or 420 cm2/hen (high cage density; HCD). A total of 120 hens were allocated into eight groups with five replicates. Diets were a control (CON) or the control diet supplemented with 200 ppm gamma-oryzanol (GO-200), 200 ppm vitamin E tocotrienols (VE-200) or 200 ppm gamma-oryzanol + 200 ppm vitamin E tocotrienols (GE-400). Results showed that HCD-housed hens decreased (P &lt; 0.01) egg performance and quality. Average egg weight (AEW), egg mass and FCR improved in all supplemented treatments. Results on the AEW, FCR, and eggshell qualities of birds kept at the HCD revealed the best responses in the GE-400 group (P &lt; 0.01). Among hens kept on an HCD, there was a noticeable decrease in HMGCR mRNA abundance in the VE-200 group, while the highest IFN-γ mRNA abundance was found in hens fed the GO-200 diet (P &lt; 0.05). Thus, this study suggested that dietary GO or VE at 200 ppm either individually or in combination could improve performance and egg quality as well as regulate the abundance of immune- and stress-related genes.

Two pre-pulses focused at different positions and at different time moments were used to enhance THz emission generated by the main pulse. The emission of THz radiation from air breakdown regions of focused ultrashort fs-laser pulses (800 nm/35 fs) at shockwave front prepared by pre-pulses was investigated, and a 3D spatio-temporal control was established for the most intense emission. The laser pulse-induced air breakdown forms a ~120 micrometers-long focal volume and generates a shockwave that delivers denser air into the focal region of the main pulse for enhanced generation of THz radiation at 0.1-2.5 THz spectral window. The intensity of pre- and main-pulses was at the tunneling ionisation intensities (1-3)x10¹⁶ W/cm² and corresponded to sub-critical (transparent) plasma in air. Polarisation analysis revealed that the orientation of the air density gradients generated by pre-pulses and their time-space placement defined the ellipticity of the generated THz electrical field. The rotational electric current is the origin of THz radiation. The current is created by non-parallel gradients of electron density and temperature. Scaling dependencies of THz emission control are established.

The petroleum industry produces thousands of barrels of oilfield waters from the initial stage driven by primary production mechanisms to the tertiary stage. These produced waters contain measurable amounts of oil in water emulsions, the exact amounts being determined by the chemistry of the crude oil. To meet strict environmental regulations governing the disposal of such produced waters, demulsification to regulatory permissible levels is required. Within the electric double layer theory, coupled with the analytical solutions to the Poisson Boltzmann Equation, continuum electrostatics approaches can be used to describe the static and electrokinetic properties of such emulsion systems. Therefore, theoretical understanding of the stability of oil in water emulsions within such fundamental concepts provides reliable approaches to demulsification. In this paper, we have used theoretical approaches, based on zeta potential and surface charge density models to determine the stability of oil in water emulsions for different crude oil samples. Accordingly, we have used literature based data on the chemistry of the crude oils, and have ranked the order of emulsion stability based on criterial established by zeta potential plots for the oil. Our theoretical calculations show that where the isoelectric points of crude oil samples are closer to each other, the degree of ionization plots versus pH indicate close tends for salinities at varying pH of oilfield waters. Based on the chemistry of crude oil samples, the most efficient and cost-effective means of demulsification is by reducing produced water pH to values closer to the average point of zero charge pH values

The morphology of virgin reactor powder (RP) of high-density polyethylene HDPE with MW = 160,000 g/mol was investigated with the help of DSC, SEM, SAXS and WAXS methods. The morphological SEM analysis showed, that the main morphological units of RP are macro- and micro-shish kebab structures with significantly different geometric dimensions, as well as individual lamellae of folded chain crystals. Quantitative analysis of an asymmetric SAXS reflection made it possible to reveal the presence of several periodic morphoses in the RP with long periods from 20 nm to 60 nm and to correlate them with the observed powder morphology. According to the DSC crystallinity data, the thickness of the lamellae in each long period was estimated. Their surface energy was calculated in the framework of the Gibbs-Thompson theory. The presence of regular and irregular folds on the surface of the different shish-kebab lamellae is discussed. The percentage of identified morphoses in the RP was calculated. It has been suggested that the specific structure of HDPE RP is due to the peculiarity of polymer crystallization during suspension synthesis in a quasi-stationary regime, in which local overheating and inhomogeneous distribution of shear stresses in a chemical reactor are possible.

Articular cartilage lacks intrinsic regenerative capabilities, and the current treatments fail to regenerate damaged tissue and lead only to temporary pain relief. These limitations have prompted the development of tissue engineering approaches, including 3D culture systems. Thanks to their regenerative properties and capacity to recapitulate embryonic processes, spheroids obtained from mesenchymal stromal cells are increasingly studied as building blocks to obtain functional tissues. The aim of this study was to investigate the capacity of adipose stromal cells to assemble in spheroids and differentiate toward chondrogenic lineage from the perspective of cartilage repair. Spheroids were generated by two different methods (3D chips vs Ultra-Low Attachment plates), differentiated toward chondrogenic lineage, and their properties were investigated by: molecular biology analyses, biophysical measurement of mass density, weight, and size of spheroids, and confocal imaging. Overall, spheroids showed the ability to differentiate by expressing specific cartilaginous markers that correlate with their mass density, defining a critical point at which they start to mature. Considering the spheroid generation method, this pilot study suggested that spheroids obtained with chips are a promising tool for the generation of cartilage organoids that could be used for preclinical/clinical approaches, including the realization of personalized therapy.

Optimum design and accurate control of the internal structure of the laser target materials remain an important goal for various laser physics experiments, especially for generating high flux photon and neutron beams. The low-density material is considered to be one of the most difficult for X-ray study due to its high transparency and imperceptible contrast. To produce clear visualization of foam containing sparse structures we used a high-quality monochromatic X-ray beam of synchrotron radiation source PETRA-III at DESY. The X-ray beam parameters allow tomographic scanning with application of phase contrast retrieval algorithms. A series of 3D images of foam-suspended glass microsphere inside the plastic cylinder were obtained with the quality high enough to observe the internal structure and to visualize uniformity, displacement and surface roughness on both sides of the microsphere. The main object under investigation was a CH-plastic capillary including 10 mg/cc CHO-foam with the centered glass microsphere. The results of this work demonstrate that tomographic visualization based on a high quality X-ray radiation and phase contrast analysis is an effective and useful technique for development of new laser targets containing structured low density materials.

Pavement friction plays a crucial role in ensuring the safety of road networks. Accurately assessing friction levels is vital for effective pavement maintenance and management strategies employed by state highway agencies. Traditionally, friction evaluations have been conducted on a case-by-case basis, focusing on specific road sections. However, this approach fails to provide a comprehensive assessment of friction conditions across the entire road network. This paper introduces a hybrid clustering algorithm, namely the combination of density-based spatial clustering of applications with noise (DBSCAN) and Gaussian mixture model (GMM), to perform pavement friction performance rating across a statewide road network. A large, safety-oriented dataset is first generated by integrating network friction and vehicle crash data based on the attributes contributing possibly to friction related crashes. One-, two-, and multi-dimensional clustering analyses, respectively, are then performed to rate pavement friction. The Chi-square test is further employed to validate and identify the practical ratings. It is shown that by effectively capturing the hidden, intricate patterns within the integrated, complex dataset and prioritizing friction-related safety attributes, the hybrid clustering algorithm can produce pavement friction ratings that align effectively with the current practices of the Indiana Department of Transportation (INDOT) in friction management.

A series of novel substituted isoxazolidine derivatives was synthesized through 1,3-dipolar cycloaddition reactions of α-aryl-N-methyl nitrones with various ethylene moieties, resulting in the formation of isoxazolidine derivatives. The structures of the synthesized compounds were characterized using spectroscopic methods. The [3+2] cycloaddition (32CA) reactions of α-aryl-N-methyl nitrones with diverse ethylene substituents were computed employing Density Functional Theory (DFT) at the B3LYP/6–31G(d) level, upgrading bond parameters. An investigation of the electron localization function (ELF) unveiled the zwitterionic nature of α-aryl-N-methyl nitrones, devoid of pseudoradical or carbenoid centers. Utilization of CDFT indices enabled the prediction of global electronic flux from the strongly nucleophilic α-aryl-N-methyl nitrones to the varied electrophilic ethylene functionalities. Molecular docking and molecular dynamics simulations were conducted on the isoxazolidine derivatives against the EGFR receptor (PDB: 4ZAU). In silico assessment of the synthesized isoxazolidines involved molecular docking, wherein the compound with the highest docking score was subjected to molecular dynamics simulations. Compound 11a, out of the thirty isoxazolidine derivatives, displayed the most substantial binding energy, yielding a g score of -6.57 kcal/mol. These observations highlighted the functional role of amide NH2 and NO2 in the binding process with the target protein, influencing its activity. Furthermore, prediction of ADME drug-likeness properties was performed to identify a suitable candidate.

This study aims to assess the interface shear adhesion behaviour between compacted clay and a metallic surface. A new testing approach was developed in this study for this purpose. The proposed method is simple and requires neither advanced equipment nor special test procedures, and thus represents an improvement on existing practice in this field. The experimental program involves determining the interface shear adhesion strength of reconstituted Kaolin clay/metallic surface where the Kaolin clay testing specimens were compacted dynamically at different energy levels and moisture contents. In general, the results show that the interface shear adhesion strength increases as the dry density of the clay increases, whereas it decreases as the moisture content increases. Furthermore, the results in this study reveal a unique multistage interfacial shear adhesion strength behaviour as the moisture content changes that could be related to the compaction curve of the clay. The observed behaviour, in this study, could be interpreted in terms of the effect of clay dry density and moisture content on the contact area and moisture-induced capillary adhesion at clay particles-continuum interface surface.

Control of autonomous robot motion in radial mass density field is presented. In that sense the robot motion is described as the function of the radial mass density parameters. The radial mass density field is between the maximal radial mass density and the minimal radial mass density. Between these two limited values one can use n points (n = 1, 2, . . . nmax) and calculate the related radial mass density for each point. The radial mass density is maximal at the minimal gravitational radius and minimal at the maximal gravitational radius. This conclusion is valid for Planck scale, but also for the scales that are less or higher of that one. Using the ratio of the Planck mass and Planck radius it is generated energy conservation constant with value κ = 0.99993392118. Further, in this theory it is possible to connect Planck’s and gravitational parameters as functions of the maximal (or minimal) radial mass density. In that sense the autonomous robot motion in radial mass density field is important for the control of the robot motion at micro and nano scales.

This paper presents a comprehensive evaluation of metal foam employment within polymer electrolyte fuel cells (PEFCs) and compares it with conventional serpentine channels from both experiment viewpoints and computational fluid dynamics simulation. The experiments are designed to study the effects of material, area density, compression ratio, and final thickness of metal foam. Additionally, the influence of housing plate material and relative humidity (RH) is also tested for the first time. The results reveal that at RH=75-100%, the best distributor design is nickel foam with a compression ratio of 70%, a final thickness of 0.5mm, and SS-304 housing plate, which delivers 3110 mA cm^-2 as limiting current density that is scarce in the literature. The PEFC with this foam distributor shows a 10% improvement in maximum power density and 45% in limiting current density compared to the serpentine channel case. While at RH=30%, the same foam flow field with a final thickness of 1mm is a superior option. The experiments also indicate that maximum power density increases by 23% as the compression ratio rises from 0 to 70%, while reducing final thickness from 1 to 0.5 mm causes a 19% enhancement in cell performance. Simulation results reveal that metal foam is more successful in evenly reactant distribution so that the average oxygen mass fraction at the cathode catalyst layer is increased by 38% in the metal foam case compared to the serpentine channel.

The common dolphin is the second most bycaught species in Korean waters. To provide key information about their habitat boundaries and hotspots for spatial conservation and management, the spatial use of this species was examined using data obtained from sighting and bycatch surveys of cetacean during the past 20 years. The 95% minimum convex polygon and 95% density contour of fixed kernel suggested that the boundary of home range of common dolphins is limited to the coastal region (Busan-Sokcho) of the East Sea/Sea of Japan. From 50% density contours dawn by kernel density estimation, it was suggested that their hotspots are around the cost of Ulsan-Pohang, Doghae, and Sokcho within the home range. Common dolphins are not at all distributed in the Yellow Sea. Hence, shallow waters, such as the coastal region of the Yellow Sea, are not suitable habitats for common dolphins.

Two-dimensional (2D) bismuth oxyhalides (BiOX) have attracted much attention as potential optoelectronic materials. Expecting for their application diversity, we herewith systematically investigate the tunable properties of 2D BiOX by using first principles calculations. Their electronic and optical properties can be modulated by changing the number of monolayers, applying strain, and/or varying the halogen composition. The bandgap shrinks monotonically and approaches the bulk value, the optical absorption coefficient increases, and the absorption spectrum redshifts, as the layer number of 2D BiOX increases. Carrier transport property can be improved by applying tensile strain, and the ability of photocatalytic hydrogen evolution can be obtained by applying compressive strain. General strain engineering will be effective in linearly tune the bandgap of BiOX in a wide strain range. Strain together with halogen composition variation can tune the optical absorption spectrum to be on demand in the range from visible to ultraviolet. It suggests that that 2D BiOX materials have potential serving as tunable novel photodetectors, can be used to improve clean energy techniques, and are prospective in the field of flexible optoelectronics.

The selection equation (replicator equation) has been independently discovered not only in various fields of biology (population genetics, ecology, prebiotic evolution, and sociobiology), but also in laser theory, where it accounts for the emergence of coherent light. Selection theory (replicator dynamics) is an ensemble theory, i. e., it describes the entire system rather than individual events, neglecting details in favor of a statistical view. However, the underlying processes at the individual level are well known in biology. For light quanta, this is not the case, because quantum theory says nothing about individual events. In the Copenhagen interpretation even the existence of causality on "quantum level" is denied. A large number of recent publications, however, makes this interpretation seem questionable.In the present paper, therefore, an attempt is made to describe the basic interactions between light and matter, as far as they are relevant for the emergence of coherent light in the laser (a photon pair interaction mediated by matter is postulated), and to apply replicator dynamics on this basis. Starting point are papers of A. Einstein about the interaction of light and matter as well as the photoelectric effect. Both theories are slightly modified. Furthermore, the double-slit experiment is investigated and finally the emergence of coherent light by density-dependent selection of photons of different phase in a laser-like model. The relationship between “mean fitness”, information content of the photon ensemble and the amplitude of the light is also analyzed.

(1) Background : Low dietary intake of calcium, vitamin D, vitamin C and magnesium has been associated with increased risk of osteoposrosis. The purpose was to evaluate changes in biomarkers of bone metabolism, and cardiometabolic health in postmenopausal women, with high risk of osteoporosis, followed by a nutritional intervention program. (2) Method: It was a prospective randomized controlled trial. A sample of 115 apparently healthy postmenopausal women(45 -75 years of age) randomized into four groups: (I) nutritional intervention group(n=40) received daily 1000mg vitamin C, 500mg vitamin D3, 500mg calcium(Ca) and 300mg magnesium (Mg); (II) control group(n=42) received daily 500mg vitamin D3, 500mg Ca and 300mg Mg; (III) nutritional intervention group (n=18) received daily 150mg bisphosphonates, 500mg vitamin D3, 500mg Ca and 300mg Mg; and (IV) nutritional intervention group (n=15) received daily about 364 mg polyphenols via an innovative functional food (50g olive paste enriched with mountain tea extract) along with 500mg vitamin D3, 500mg Ca and 300mg Mg. Groups I -III received supplementation for a year whereas group IV for 5 months. Changes in calciregulatory hormone parathormone (PTH) were evaluated at the beginning of the study as well as at 5 and 12 months intervals. Blood levels of vitamin D, vitamin C, Ca, Mg and the lipid profile were assessed at the beginning and at the end of the study. Anthropometric indices (weight, body fat(Kg), Body Mass Index(BMI) and bone mineral density(BMD) were evaluated at the beginning and at the end of the study. Statistical analysis was performed with IBM-SPSS Statistics-21. The level of statistical significance was set at p<0.05. (3) Results: 25(OH)D3 levels were improved, in groups II, III and IV (+3,71% and +1.45% and +5.62% respectively). PTH levels were increased at the end of the intervention period, for groups I and IV. Significant positive changes recorded, in total BMD, in all four study groups. Significant beneficial changes for total cholesterol was observed in group IV (-2.07%, P<0.05) and positive changes in group I for HDL biomarker (+61.62%, P<0.05) (4) Conclusions:. Additional larger-scale clinical trials and intervention studies are considered essential, in order to fully investigate and elucidate associations between dietary components and biochemical indices of bone metabolism.

Cryptocurrencies have obtained a crucial position in the international financial landscape. The cryptocurrency market has been perceived as a highly volatile market since the inception of Bitcoin. This study investigates the relevant performance of extreme value models (EVM) in estimating the Value-at-Risk (VaR) of Bitcoin and Ethereum returns. The extreme value mixture models, GPD-Normal-GPD (GNG) and GPD-KDE-GPD models are fitted to the returns of Bitcoin and Ethereum and the Kupiec likelihood backtesting procedure is performed on the VaR estimates to assess the fits. Both models’ results showed that the fits were a much more decent representation of the observed data when compared to the Normal distribution. The backtesting results showed that the GPD-KDE-GPD model’s fit was superior to that of the GPD-Normal-GPD for both sets of returns at all VaR risk levels except at the 99% level. The results of this study may assist with understanding the dynamics and risks associated with cryptocurrencies and can serve as a beneficial tool for decision-making and risk management to investors, traders, financial institutions and many other participants in the cryptocurrency ecosystem.

The catastrophic failure of two dams in Libya in the night of 10th and 11th September 2023, resulted in a significant amount of water and debris destroying a large part of the city of Derna, which is located downstream of the two dams. The flood caused more than 6000 fatalities and the dis-placement of thousands of people from the city. The dams failed due to heavy rainfall caused by the Medicane Daniel, resulting in intense precipitation and the dams overspilling after reaching full capacity. This paper analyses the consequences of the dam breach by modelling the flow discharge and the flooding of the city of Derna. The analysis compares the computed quantities with the findings of the post-event satellite image analysis from UNOSAT and Copernicus, the field reports, and information gathered from the social media through AI detection. The results allows to better understand the dynamics of the dam breach, its initial parameters and an assessment of the accu-racy of the results.

Rice canopy height and density are directly usable crop phenotypic traits for the direct estimation of crop biomass. Therefore, it is crucial to rapidly and accurately estimate rice canopy phenotypic parameters. To achieve non-destructive detection and estimation of essential phenotypic parameters in rice, a platform based on LiDAR point cloud data for rice phenotypic parameter detection was established. Data collection of rice canopy layers was performed across multiple plots. The LiDAR-detected canopy top point clouds were selected using a method based on the highest percentile, and the rice canopy surface model was calculated. Canopy height estimation was the difference between ground elevation and percentile value. To determine the optimal percentile defining the rice canopy top, testing was conducted incrementally from 0.8 to 1 with an increment of 0.005. The optimal percentile value was found to be 0.975. The root mean square error (RMSE) between LiDAR-detected canopy height and manually measured canopy height was calculated. The prediction model based on canopy height (R2=0.941, RMSE=0.019) exhibited a strong correlation with actual canopy height. Linear regression analysis was conducted between gap fraction of different plots and manually detected average Leaf Area Index (LAI) of rice canopy. Prediction models for canopy LAI based on ground return counts (R2=0.24, RMSE=0.1) and ground return intensity (R2=0.28, RMSE=0.09) showed strong correlations but had lower correlation with rice canopy LAI. Regression analysis was performed between LiDAR-detected canopy height and manually measured rice canopy LAI. The results indicated that the prediction model based on canopy height (R2=0.77, RMSE=0.03) was more accurate.

Background: Glycogen storage diseases (GSDs), known as glycogenoses, belong to inborn metabolic defects in the glycogen metabolism pathway. Several types of GSDs are distinguished, including Ia, Ib, III, VI, and IX. GSDs manifest as excessive glycogen deposition in the liver and muscles, resulting in the dysfunction of these organs. Therefore, the treatment of choice is multitherapy that, due to dietary restrictions, may lead to nutritional deficiencies and organ complications. This study aims to assess anthropometric, body composition, skeletal status, results of selected laboratory tests, dietary, lifestyle and physical capacity analyses in patients with glycogenoses and compare the results between GSD I and GSD III-VI-IX groups. Results: The results indicate that GSD patients were overweight or obese (44% of patients had BMI +1SD or +2SD) with high percentage of fat tissue (50% of patients had above 30% of body fat) and inadequate bone mineralisation (total body less head: median z-score -0.9, L2-L4 segment: median z-score -1.65). GSD I patients had the highest risk of developing obesity (67% of them had above 30% of body fat) and osteoporosis (total body less head: median z-score -1.0, L2-L4 segment: median -1.7). Conclusions: Special attention should be paid to appropriate diet and supplementation in patients with glycogenoses.

Nonparametric density estimation for nonnegative data is considered in a situation where a random sample is not directly available but the data are instead observed from the length-biased sampling. Due to the boundary bias problem of the location-scale kernel, the approach in this paper is an application of asymmetric kernel. Two nonparametric density estimators are proposed. The mean integrated squared error, strong consistency, and asymptotic normality of the estimators are investigated. Some simulations illustrate the finite sample performance of the estimators.

A series of derivatives, involving two dithienylethene (DTE), groups, connected by several molecular linkers (bis(ethylene-1,2-dithiolato)Ni- (NiBDT), naphthalene, quasilinear oligothiophene chains) are investigated with the aid of computational quantum chemistry methods. This involves the computation of the second- and third-order nonlinear optical properties, i.e. molecular hyperpolarizabilities of the designed/selected derivatives. These properties can be efficiently controlled by DTE switches, in connection with light of appropriate frequency. We found that NiBDT, as a linker, is associated with a greater contrast, in comparison to naphthalene, between the first and second hyperpolarizabilities of the “open-open” and the “closed-closed” isomers. This is explained by invoking the low lying excited states of NiBDT. It has been found that the second hyperpolarizability can be used as an index, which follows the structural changes induced by photochromism. The two-photon absorption, which is related to the imaginary part of second hyperpolarizability, has also been investigated for the S0S1 transition. Furthermore, the intramolecular excited-state energy transfer (EET) is studied as well as the overlap between the absorption and emission spectra of the donor and acceptor groups of the molecules. The electronic coupling, VDA, between the donor and acceptor fragments, as well as the emission spectrum of the donor and the absorption spectrum of the acceptor have been computed, assuming a Förster type transfer mechanism. EET is a critical factor governing the photochromism. Two methods were used to compute VDA, one based on linear response and one based on the distributed multipole analysis (DMA); both techniques give very similar results for the dominating Coulomb contribution. For NiBDT as the linker a low VDA value has been computed. We found that VDA is affected by the molecular geometry. Our results clearly show that the linker strongly influences the communication between the open-closed DTE groups and thus, photochromism. The present computations show that full photochromism is attained in derivatives where two DTE groups are linked by a tetrathiophene chain, in agreement with experiment. The sensitivity of molecular linear and nonlinear optical properties upon photochromism can assist with the identification of the molecular isomers.

Fatigue-related subchondral bone injury of the third metacarpal/ metatarsal (McIII/ MtIII) bone is a common cause of wastage and welfare concern in racehorses. Better understanding of bone health and strength would improve animal welfare and be of benefit for the racing industry. Porosity index (PI) of bone is an indirect measure of osseous pore size and number and is therefore an interesting indicator of bone strength. MRI of compact bone using traditional methods even with short echo times fails to generate enough signal to assess bone architecture as the water protons are tightly bound. Ultrashort echo time (UTE) sequences aim to increase the amount of signal detected in the equine McIII/MtIII condyle. Cadaver specimens were imaged using a novel dual-echo UTE MRI technique and PI was calculated and validated against quantitative CT-derived bone mineral density (BMD). BMD and PI are inversely correlated in the equine distal Mc/ MtIII with a mean r value of -0.29. The r value is significantly different between fore- and hindlimbs. Further work is needed to assess how correlation patterns behave in different areas of the bone and to evaluate PI in horses with and without clinically relevant stress injury.