The surface configurations of the low-index facets of a set of spinel oxides are investigated using DFT+U calculations to derive surface energies and predict equilibrium nanoparticle shapes via the Wulff construction. Two very different conditions are investigated, corresponding to application either in heterogeneous catalysis or in electrocatalysis. First, the bare stoichiometric surfaces of NiFe₂O₄, CoFe₂O₄, NiCo₂O₄, ZnCo₂O₄ spinels are studied to model their use as high-temperature oxidation catalysts. Second, focusing attention on the electrochemical oxygen evolution reaction (OER), and on the CoFe₂O₄ inverse spinel as the most promising OER catalyst, we generate surface configurations by adsorbing OER intermediates, and, in an innovative study, we recalculate surface energies taking into account adsorption and environmental conditions, i.e., applied electrode potential and O₂ pressure. We predict that, under OER operating conditions, (111) facets are dominant in CoFe₂O₄ nanoparticle shapes, in fair agreement with microscopy measurements. Importantly, in the OER case we predict a strong dependence of nanoparticle shape upon O₂ pressure. Increasing O₂ pressure increases the size of the higher-index (111) and (110) facets at the expense of the (001) more catalytically active facet, whereas the opposite occurs at low O₂ pressure. These predictions should be experimentally verifiable and help define the optimal OER operative conditions.

To achieve a micro-destructive and rapid measurement of the wood density of standing trees, this study investigated the feasibility of using the micro-drilling resistance method, formulated a mathematical model, explored the potential for a unified model across multiple tree species, and analyzed the influence of moisture content on measurement accuracy. First, 231 tree cores and drill resistance data were sampled from Pinus massoniana, Cunninghamia lanceolate, and Cryptomeria fortunei. The basic density and moisture content of each core were measured, and the average value of each resistance data record was calculated. Second, the average drill resistance, the natural logarithm of average drill resistance, and absolute moisture content were used as independent variables, while the wood basic density was used as the dependent variable. Third, the total model of the three tree species and sub-model for each tree species were established through a stepwise regression method. Finally, the accuracy of each model was compared and analyzed with that of using the average basic density of each tree species as an estimated density. The results revealed that the estimation accuracy of the sub-model for each tree species was 1.670 percentage points higher than the average value of each tree species used as the density estimation value for these tree species. Additionally, except for Cryptomeria fortunei, the natural logarithm of drill resistance significantly influenced the wood density model at a significance level of 0.05. Moreover, moisture content significantly affected the total model and sub-models of Pinus massoniana at a significance level of 0.05. The estimation accuracy of the total mathematical model was 2.125 percentage points lower than that achieved using the average basic density of each tree species to predict their density. The results indicated the feasibility of using the micro-drilling resistance method to measure the wood density of standing trees. Moreover, the relationship between wood density and drill resistance did not follow a linear pattern, and moisture content slightly influenced the drill needle resistance. Furthermore, the establishment of a mathematical model for each tree species was deemed essential. This study provides valuable guidance for measuring the wood density of standing trees through the micro-drilling resistance method.

Penrose’s singularity from 1965 predicted that in the center of the black hole space-time curvature is infinite and consequently gravity force there is infinite. In 2014 NASA measured universal space has Euclidean shape. This means that stellar objects cannot curve universal space and that the space-time singularity model has no physical existence. In the center of black holes energy density of superfluid space is so low that the electromagnetic properties of space are changed. This causes electromagnetic forces between the nucleus and orbiting electrons to become unstable. In the center of a black hole, atoms are falling apart into elementary particles. Black holes are rejuvenating systems of the universe, they transform old matter into fresh energy in the form of elementary particles. Astrophysical jets are the outcome of this process.

Milkfish (Chanos chanos) locally called Bangus in the Philippines, is a popular food fish in terms of production and consumption in the Philippines, Indonesia and Taiwan. This study characterized a typical grow-out milkfish farm in the Davao region in terms of socioeconomic profile, farming practices, and simple costs and returns. Three sites were chosen to conduct this study, mainly in Mati, Pantukan and Panabo in Davao region where N=43 farm workers provided information on their daily farming practices. Farms are commonly stocked with 16,000 fingerlings, harvesting occurs after every 6 months with six feeding times in a day. Moreover, workers were paid an average of Php 10,000 per month while the company had a gross income of Php 930,000 per cropping cycle. The feed cost shares 76% of the overall operational cost with a 27% return on investment for the first year of operation. Climate change impacts (e.g. higher sea surface temperature, unpredictable weather and flooding) and deteriorating water quality conditions were seen as bigger threats. Other results showed a positive relationship between stocking density and volume harvested (df=1, MS=0.0907, F=40.13, P=0.000) and income (df=1, MS=0.048, F=21.22, P=0.000). The study also showed the need for cheaper feed substitute and better benefits to farm workers.

Fuzzy Rule Interpolation (FRI) offers an innovative methodology for inferring outcomes from data points that match no established rules in a sparse fuzzy rule base. Generally, a traditional fuzzy rule-based system suffers from the inability to perform inference while facing an unmatched observation, given a sparse fuzzy rule base that is derived from insufficient data or inadequate human experience and that fails to cover parts of a specific problem domain. Fortunately, starting with a sparse rule base, Fuzzy Rule Interpolation (FRI) can help to formulate interpolated rules specifically in instances where observations fail to activate any existing rule. An interpolated rule gives a result called consequent, which is related to the unmatched observation so that the inference system will not fail to generate an outcome corresponding to the observation as the output. Conventionally, these interpolated rules will be discarded after obtaining outcomes. However, valuable information may be potentially embedded within those discarded rules addressing the limitation regarding the coverage of the original sparse knowledge space. Moreover, without exploiting the potential value of the interpolated rules, the fuzzy inference system based on a sparse rule base will never improve its efficiency and robustness in the long run. Therefore, this underscores the necessity for Dynamic Fuzzy Rule Interpolation (D-FRI), which aims to collate interpolated rules that cover particular knowledge spaces absent in the sparse rule base. Intuitively, those frequently appeared interpolated rules are considered valuable because future observations are more likely to hit the respective problem areas. Promoting selected interpolated rules to the sparse rule base can enhance the overall coverage of the knowledge space and increase the inference efficiency over time. This paper introduces a framework for Dynamic Fuzzy Rule Interpolation that integrates the widely used Transformation-based Fuzzy Rule Interpolation (T-FRI) with an effective form of clustering of interpolated results. Experimental findings validate the effectiveness of this approach.

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 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.

This paper focuses on the impact of defects density and carrier capture cross-section area in the electron transport material (ETM), hole transport material (HTM), and absorber layers on the performance of perovskite solar cells and quantum efficiency (QE). Furthermore, the impact of defects density at the interface between ETM/absorber and absorber/HTM is also studied. SCAPS-1D software is used in the current study in determining solar cell performance. The proposed perovskite solar cell structure is a planar FTO/TiO2/ CH3NH3PbI3/ Cu2O. The results indicated that increasing the defect density in the absorber layer significantly affects cell performance, while in ETM and HTM layers, the cell parameters remain unaffected. It is also found that the defect capture cross-section has a similar behavior to the defect density in the main layers (ETM, absorber, and HTM). In addition, it is observed that by increasing the defects density in the ETM/absorber and absorber/HTM interfaces layer, the cell parameters FF, Jsc, and PCE have been slightly decreased, with no effect on Voc. Moreover, it is also noted that the quantum efficiency QE is sharply reduced. Finally, this paper introduced the correlation between the defect density and the capture cross-section, which is the first attempt to find such a relationship in perovskite solar cells to the knowledge of the authors.

This work reports the first nanocrystalline SnON (7.6 % Nitrogen content) n-type nanosheet Field-Effect Transistor (nFET) with transistor’s effective mobility (µeff) as high as 357 and 325 cm2/V-s at electron density (Qe) of 5×1012 cm-2 and ultra-thin body thickness (Tbody) of 7 and 5 nm, respectively. At the same Tbody and Qe, these µeff values are significantly higher than single crystalline Si, InGaAs, thin-body Si-on-Insulator (SOI), two-dimensional (2D) MoS2 and WS2. New discovery of slower µeff decay rate at high Qe than SiO2/bulk-Si universal curve was found, owing to one order of magnitude lower effective field (Eeff) by more than 10 times higher dielectric constant () in channel material, which keeps the electron wave-function away from the gate-oxide/semiconductor interface and lowers the gate-oxide surface scattering. In addition, the high µeff is also due to the overlapped large radius s-orbitals, low 0.29 mo effective mass (me*) and low polar optical phonon scattering. SnON nFETs with record-breaking µeff and quasi-2D thickness enable potential monolithic three-dimensional (3D) integrated circuit (IC) and embedded memory for 3D biological brain-mimicking structures.

A significant portion of the harvested land base in western Canada is becoming old enough or entering a phase where thinning is a legitimate option. A comprehensive review of the existing knowledge of commercial thinning (CT) treatments applied to pine and spruce-dominated stands in Alberta was conducted, with particular regard to the intensity, the timing of interventions, method and impacts on crop tree growth responses. Although the geographical focus of this review is Alberta, information on this topic is more complete in other areas of North America, and Europe, where there is a long history of density management. In areas of eastern North America, our review revealed that CT from below, with tree removal levels from 27 to 43% of the basal area could increase the merchantable wood volume from 11 to 60 m3 ha-1, depending on stand age and intensity of thinning. For Alberta conditions, and considering the risks, we conclude that commercial thinning basal area removal should be in the range of 25 to 40%, depending on a variety of factors such as species, wind firmness and insect or disease incidence and risk. Thinning too aggressively and/or too late will increase the blowdown risk but the literature is fairly consistent in suggesting that live crown ratios should be >40% to maximize the chance of growth response and minimize the blowdown risk. In cases where stands are also threatened by stressors such as drought, wind, and insect or disease outbreaks, CT treatments likely offer the potential at limiting the overall risk, but localized knowledge and experience are critical. It is intended that the information presented may support ongoing and future research trials and growth and yield (G&Y) model development with regard to potential CT treatments to apply and the likely results of practical application to commercial forestry.

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.

Low-dimensional carbon-based (LDC) materials have attracted extensive research attentions in electrocatalysis because of their unique advantages such as structural diversity, low cost, and chemical tolerance. They have been widely used in a broad range of electrochemical reactions to relief environmental pollution and energy crisis. Typical examples include hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), carbon dioxide reduction reaction (CO₂RR), and nitrogen reduction reaction (NRR). Traditional “trial and error” strategies seriously slowed down the rational design of electrocatalysts for these important applications. Recent studies show that the combination of density functional theory (DFT) calculations and experimental research is capable of accurately predicting the structures of electrocatalysts, thus could reveal the catalytic mechanisms. Herein, current well-recognized collaboration methods of theory and practice are reviewed. The history of modern DFT, commonly used calculation methods, and basic functionals are briefly summarized. Special attention is paid to descriptors that are widely accepted as a bridge links the structure and activity, and the breakthroughs for high-volume accurate prediction of electrocatalysts. Importantly, correlating multiple descriptors are used to systematically describe the complicated interfacial electrocatalytic processes of LDC catalysts. In addition, machine learning and high-throughput simulations are crucial in assisting the discovery of new multiple descriptors and reaction mechanisms. This review will guide the further development of LDC electrocatalysts for extended applications from the aspect of DFT computations.

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.

Global malaria epidemiology has changed in the last decade with a substantial increase in cases and death being recorded. Over 90% of global cases and deaths occur in Sub-Saharan Africa (SSA). Tanzania accounts for about 4% of all cases and deaths reported in recent years. It is believed that several factors contribute to the resurgence of malaria, parasite resistance to antimalarials and mosquito resistance to insecticides being at the top of the list. The presence of sub-microscopic infections poses a significant challenge to malaria rapid diagnostic tests (mRDT), particularly in low-endemic areas. Our cross-sectional surveys in Handeni and Moshi, Tanzania assessed the effect of low parasite density on mRDT. A significant difference (P˂0.001) in malaria prevalence by mRDT, light microscopy (LM) and nested polymerase chain reaction (PCR) was found among age groups. In comparison to all other groups, school-age children (5-15 years) had the highest prevalence of malaria. Based on the results of this study, mRDT may miss up to 6% of cases of malaria mainly due to low-density parasitaemia. Routinely used mRDT will likely miss the sub-microscopic parasitemia which will ultimately contribute to the continued spread of malaria and hinder efforts to control and eliminate it.

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 selectivity of electrochemical sensors to ascorbic acid (AA), dopamine (DA), and uric acid (UA) remains an open challenge in the field of biosensing. In this study, the selective mechanisms for detecting AA, DA, and UA molecules on the graphene and graphene oxide substrates were illustrated through the charge population analysis from the DFT calculation results. Our substrate models contained the 1:10 oxygen per carbon ratio of reduced graphene oxide, and the functionalized configurations were selected according to the formation energy. Geometry optimizations were performed for the adsorption of AA, DA, and UA on the pristine graphene, epoxy-functionalized graphene, and hydroxyl-functionalized graphene at the DFT level with vdW-DF2 corrections. From the calculations, AA was bound to both epoxy and hydroxyl-functionalized GO with relatively low adsorption energy, while DA was adsorbed stronger to the electronegative epoxy groups. The strongest adsorption of UA to both types of functional groups corresponded to the largest amount of electron transfer through the pi orbitals of UA. Local electron loss created local electric fields that opposed the electron transfer during an oxidation reaction. Our analysis agreed with the results from previous experimental studies and provide insight into other electrode modifications for electrochemical sensing.

One-dimensional chain of core-shell pairs connected by ideal springs enables design of the metamaterial demonstrating the negative effective density and negative specific thermal capacity. We assume that the molar thermal capacity of the reported metamaterial is governed by the Dulong-Petit law in its high temperature limit. The specific thermal capacity depends of the density of the metamaterial; thus, it is expected to be negative, when the effective density of the chain is negative. The range of the frequencies enabling the effect of the negative thermal capacity is established. Dependence of the effective thermal capacity on the exciting frequency for various core/shell mass ratios is elucidated. The effective thermal capacity becomes negative in the vicinity of the local resonance frequency ω0 in the situation when the frequency ω approaches ω0 from above. The effect of the negative effective thermal capacity is expected in metals in the vicinity of the plasma frequency.

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.

The main goal of this article is to demonstrate the impact of environmental data on the spreading of Covid-19. In this research, data has been collected from 70 cities/provinces that are affected by Covid-19. Here, environmental data refers to temperatures, humidity and population density in each of these cities/provinces. This data has been analyzed using statistical models such as Poisson, Quasi-Poisson and negative Binomial. It is found that a negative Binomial regression model is the best fit for our data. Our results reveal that average high temperature is the vital factor to slow down the spread of Covid-19. In addition, higher population density found to be an important factor for the quick spreading of Covid-19 where it is quite impossible to maintain the social distance and the virus can spread easily.

To realize high response and selectivity gas sensor in detecting dissolved gases in transformer oil, in this study, the adsorption of four kinds of gases (H2, CO, C2H2 and CH4) on Pd-graphyne as well as the gas sensing properties evaluation were investigated. The energetically favorable structure of Pd doped γ-Graphyne was first studied, including the comparison of different adsorption sites and discussion of electronic properties. Then, the adsorption of these four molecules on Pd-graphyne was explored. The adsorption structure, adsorption energy, electron transfer and electron distribution, the band structure and density of states were calculated and analyzed. The results show that the Pd atom prefers to be adsorbed on the middle of three C≡C bonds and the band gap is smaller. The CO adsorption exhibits the largest adsorption energy and electron transfer and brings obvious change to the structure and electron properties to Pd-graphyne. Because of the conductance decrease after adsorption CO and acceptable recovery time at high temperature, the Pd-graphyne can be promising gas sensing materials to detect CO with high selectivity. This work offers theoretical support for the design of nanomaterials based gas sensor using novel structure for industrial application.

One ambitious objective of Integrated Computational Materials Engineering (ICME) is to shorten the materials development cycle by using computational materials simulation techniques at different length scales. In this regard, the most important aspects are the prediction of the microstructural evolution during material processing and the understanding of the contributions of microstructural features to the mechanical response of the materials. One possible solution to such a challenge is to apply the Phase Field (PF) method because it can predict the microstructural evolution under the influence of different internal or external stimuli, including deformation. To accomplish this, it is necessary to take into account plasticity or, specifically, non-homogeneous plastic deformation, which is particularly important for investigating the size effects in materials emerging at the micron length scale. In this work, we present quasi-2D simulations of plastic deformation in a face centred cubic system in a finite strain formulation. Our model consists of dislocation-based strain gradient crystal plasticity implemented into a PF code. We apply this model to study the influence of grain size on the mechanical behavior of polycrystals, which includes dislocation storage and annihilation. Furthermore, the initial state of the material before deformation is also considered. The results show that a dislocation-based strain gradient crystal plasticity model can capture the Hall-Petch effect in many aspects. The model reproduced the correct functional dependence of the flow stress of the polycrystal on grain size without assigning any special properties to the grain boundaries. However, the predicted Hall-Petch coefficients are significantly smaller than those found typically in experiments. In any case, we found a good qualitative agreement between our findings and experimental results.

Bianchi type III string cosmological models (massive and geometric) in presence of magnetic field with vacuum energy density following the techniques used by Letelier (1979) and Stachel (1980) are obtained. We find that the energy conditions (dominant as well as weak) given by Hawking and Ellis (1974) are satisfied for the models. Also the solutions obtained satisfy conservation equation for massive string with magnetic field and vacuum energy density. The models in general, represent anisotropic phase of space-time due to the presence of string. However, the models isotropize at late time and in special case. It has also been shown that the magnetic field is directly linked with the matter. For string dust model, the state finder parameters {r,s} are in excellent agreement with Planck results (Sahni et al. (2003)). The physical and geometrical aspects of the models with special cases are also discussed.

Many dioecious plants have sex chromosomes that are cytologically heteromorphic, but about half of species lack cytological differences between males and females and are thus homomorphic. Very little is known about the size and content of the non-recombining sex-determining region (SDR) in these species. Here, we assess the size and content of the SDR of the diploid dioecious herb Mercurialis annua, which has homomorphic sex chromosomes and shows signatures of mild Y-chromosome degeneration. We used RNAseq to identify new Y-linked markers for M. annua. Twelve of 24 transcripts with male-specific and male-biased expression could only be PCR-amplified from males and are thus Y-linked. We found a further six Y-linked sequences that were present in males but not females using genome capture data from multiple populations. We used the Y-linked sequences to identify and sequence 17 sex-linked bacterial artificial chromosomes (BACs), which form 11 groups of non-overlapping sequence, covering a total sequence length of about 1.5 Mb. Content analysis of this region suggests it is enriched for repeats, has a low gene density and contains few candidate sex-determining genes. The BACs map to a subset of the sex-linked region of the genetic map, which is estimated to be at least 14.5 Mb. This is substantially larger than estimates for other dioecious plants with homomorphic sex chromosomes, especially given the small genome size of M. annua. Our data provide a rare, high-resolution view of the homomorphic Y chromosome of a dioecious plant.

The improvement of mechanical properties of cantala fiber and its composites. Treatments including alkali, silane, and the combination of both were carried out to modify the fiber surface. The influence of chemical treatments on fiber properties such as the degree of crystallinity and tensile strength was investigated. A variety of short cantala fiber reinforced rHDPE composites were produced by hot press, and the effect of fiber treatment on the flexural strength of composites was observed. SEM observations also carried out to highlight these changes. The result shows that alkali treatment improves tensile strength and tensile modulus of alkali treated fiber (NF12) which was predicted as a result of the enhancement of the cellulose crystallinity. In contrast, the tensile strength and tensile modulus of silane (SF05) and alkali-silane treated fiber (NSF05) decreased compared to untreated fiber (UF) which is caused by the addition of amorphous material. The tensile strength of alkali-silane treated fiber (NSF05) was lower than alkali treated fiber (NF12), but the composites prepared with NSF05 showed the highest increment of flexural strength of 25.9%. This may be due the combination of alkali and silane treatment helped in the better formation of fiber-matrix interface adhesion.

This work is the first in literature to tackle the difficult open problem of determining the upper bound and threshold theorem for the TDCDP (time-dependent controller parameter) of the (Fokker Planck Kolmogorov) probability density function. This revolutionary exposition will put control theory and other related inter-disciplinary fields to a higher level towards contemporary control theory. Notably, based on the influential role of control theory in both engineering and industry, this paper will be of great value to all engineering and industry professionals who seek to know more about advanced trends within control theory settings. On the other remit of the spectrum, Fokker Planck Kolmogorov(FPK) equations are of high importance to physicists as well as mathematicians, based on their multiple applicability to information theory, graph theory, data science, finance, economics, and beyond. So, this by default adds more taste and credibility to this study. This leads by nature to introducing a different flavor to this ground-breaking research by highlighting the impact of Fokker Planck Kolmogorov(FPK) to revolutionize crypocurrency,which have received its name because it uses encryption to verify transactions, a new debatable digital payment system that doesn't rely on banks to verify transactions. It’s a peer-to-peer system that can enable anyone anywhere to send and receive payments. The paper ends with closing remarks combined with some challenging open problems and the next phase of research.

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).

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.

Data collected at the Cascais tide gauge, located on the west coast of Portugal Mainland, have been analyzed and sea level rise rates have been updated. Based on a bootstrapping linear regression model and on polynomial adjustments, time series are used to calculate different empirical projections for the 21^st century sea level rise, by estimating the initial velocity and its corresponding acceleration. The results are consistent to an accelerated sea level rise, showing evidence of a faster rise than previous century estimates. Based on different numerical methods of second order polynomial fitting, it is possible to build a set of projection models of relative sea level rise. Appling the same methods to regional sea level anomaly from satellite altimetry, additional projections are also built with good consistency. Both data sets, tide gauge and satellite altimetry data, enabled the development of an ensemble of projection models. The relative sea level rise projections are crucial for national coastal planning and management since extreme sea level scenarios can potentially cause erosion and flooding. Based on absolute vertical velocities obtained by integrating global sea level models, neo-tectonic studies and permanent Global Positioning System (GPS) station time series, it is possible to transform relative into absolute sea level rise scenarios, and vice-versa, allowing the generation of absolute sea level rise projection curves and its comparison with already established global projections. The sea level rise observed at the Cascais tide gauge has always shown a significant correlation with global sea level rise observations, evidencing relatively low rates of composed vertical land velocity from tectonic and post-glacial isostatic adjustment, and residual synoptic regional dynamic effects rather than a trend. An ensemble of sea level projection models for the 21st century is proposed with its corresponding probability density function, both for relative and absolute sea level rise for the west coast of Portugal Mainland.

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.

The study of the morphology, thermal, and chemical stability of the fluorinated compounds was performed using Becke’s three-parameter hybrid functional approach with the correlation provided by Lee, Yang, and Parr and the cc-pVTZ basis set aiming to design low sensitivity, toxicity, instability, and proneness to decomposition or degradation over a short time high-energy materials. The most stable conformers of the compounds under study were selected based on their total energy. Their thermal and chemical stability was evaluated based on the binding energy per atom, chemical hardness, and softness. The oxygen-fluorine balance is assessed to evaluate the sensitivity of these new materials. The density, detonation pressure, and velocity of the selected conformers were theoretically obtained to reveal the influence of -CF3, -OCF3, and cyclic -O(CF2)nO- fragments on the energetic properties of nitroaromatics as well as their stability and resistance to shock stimuli. The results allow us to predict new multipurpose energetic materials with a good balance between power and stability. Referring to the results obtained, we recommend CF3N2, OCF3N2, C2F6N2, 1CF2N2/O2CF2N2, and 2CF4N2/O2C2F4N2 for practical usage because these compounds possess greater stability compared to tetryl and better explosive properties than TNT.

This research builds on the previously established Peak Density Thickness (PDT) concept for midlatitudes at Millstone Hill by examining its applicability at equatorial latitudes using data from the Jicamarca Incoherent Scatter Radar (ISR) in Lima, Peru. An 18-hour dataset was meticulously analyzed to capture the F2 layer's PDT parameter with high spatial resolution. This study aims to confirm the presence of the PDT phenomenon at equatorial latitudes, utilizing Jicamarca ISR and the co-located Digisonde station. The results indicate that the PDT parameter reaches its peak value around solar noon, consistent with observations at Millstone Hill and high latitudes. Additionally, the Nsumei et al. Vary-Chap topside model was employed to reconstruct the topside ionospheric profile, validating its utility across different latitudes. These findings suggest that incorporating the Peak Density Thickness χ into ionospheric models can enhance the accuracy of topside specifications derived from ground-based ionosonde measurements. This research highlights the significance of the PDT parameter in understanding ionospheric plasma dynamics and improving predictive models of ionospheric behavior.

One of the most important agrotechnical factors that influence the growth conditions of crops is plant density. Alterations in habitat conditions result in the emergence of phytophagous organisms, whose development is closely associated with host plants. The objective of this study was to assess the abundance and species composition of thrips (Thysanoptera) collected in soybean plants of different varieties cultivated under different plant arrangements (row spacing, number of seeds sown differed). The research was conducted at two locations in southwestern Poland between 2015 and 2018. The herbivores that inhabit plants were caught using an entomological net. The experiments were carried out using the complete randomised block design, with four replications. Regardless of location and treatment, thrips were the most numerous group of pests. Thrips tabaci and T. fuscipes were the dominant species within the collected material. A total of 24 species of thrips were identified and their dietary specialisation was determined. The assemblages of studied insects were also analysed due to the density of the plants and the stage of development. The increase in the sowing density of soybean (90 seeds per m2) resulted in a greater total number of thrips compared to a lower sowing density (50 seeds per m2). The number of thrips significantly increased during the flowering period and shortly after the flowering time, which made them a significant threat to the plants. Therefore, it is crucial to develop innovative pest management strategies tailored to effectively grow soybean to mitigate potential pest-related challenges.

High entropy alloys have excellent wear resistance, so they have great application prospects in the fields of wear resistance and surface protection. In this study, the wear resistance of FeNiCrCoCu high entropy alloy coating was systematically analyzed by molecular dynamics method. FeNiCrCoCu high entropy alloy was used as a coating material to adhere to the surface of Cu matrix. The friction and nano indentation simulation of this coating material were carried out by controlling the ambient temperature. The influence of temperature on its friction properties was analyzed from five aspects: lattice structure, dislocation evolution, friction coefficient, hardness and elastic modulus. The results show that with the increase of temperature, the disorder of the lattice structure increases, which leads to the increase of the tangential force and the friction coefficient in the friction process. At 300K and 600K, the ordered lattice structure of the high entropy alloy coating material is basically the same, and thus their hardness is basically the same. However, the dislocation density at 600K is significantly reduced compared with that at 300K, resulting in the increase of the elastic modulus of the material from 173GPa to 219GPa. At the temperatures of 900K and 1200k, lattice disorder take place rapidly, and dislocation density also decreases significantly, resulting in a significant decrease in the hardness and elastic modulus of the material. When the temperature reaches 900K, the wear resistance of the FeNiCrCoCu high entropy alloy coating decreases sharply. This work is of great value to the analysis of wear resistance of high entropy alloy at high temperature.

Despite its growing importance as a dry beneficiation method, there is a lack of studies exploring the fundamentals aspects of dry jigging. In this sense, this study focuses on explore some essential aspects of density-based separation in dry jigs, like pulse profile, energy consumption and, especially, stratification over time, also exploring an innovative operational strategy here called “transient pulsation”. The tests were carried out using density tracers distributed across 11 density ranges (0.4-2.4 g/cm³) and employing a base bed (gravel) to analyze their segregation in a pilot-scale dry jig. Pressure drop and active power data were acquired to measure the pulse characteristics and energy consumption. The findings suggest that establishing the dry jigging cycle is more complex than in hydraulic jigs due to the compressibility of air. Stationary pulsation tests revealed an unstable behavior of stratification over time, contrasting with traditional hydraulic jigs, while transient pulsation tests unveiled varied trends in separation quality. Energy consumption analysis underscored the significant role of the blower drive. These insights have the potential to inform operational enhancements in dry jigging.

Abstract: Dispersal strategies of a species can affect its invasion success. Investigation into the dispersal strategies of invasive species in relation to different factors helps our understanding of the invasion mechanisms and provides knowledge for population management and invasion evaluation. Tetranychus ludeni Zacher (Acari: Tetranychidae) is an invasive species, which is native to Europe but now cosmopolitan. Here, we examined the effects of age and density on dispersal in mated females. Our results show that older females with more eggs were more likely to disperse and moved longer distances than younger ones with fewer eggs. Older females spread most of their eggs out of the natal habitats and over longer distances, which reduced competition and increased offspring fitness. Females significantly increased dispersal probability and distance with the increase of population density to avoid crowding. The synchronization of dispersal and reproduction, along with the positive density-dependent dispersal strategy, may facilitate habitat colonization and invasion speed of T. ludeni.

In this paper, four probability functions are compared with the purpose of establishing a methodology to improve the accuracy of the estimated wind energy in a desert city in northwestern Mexico. For the statistical modeling, 3 time series of wind speed data were used, corresponding to the years 2017, 2018, and 2019, recorded with a sonic anemometer at a sampling frequency of 10 Hz. From these, the analysis is performed with different stationarity periods (5, 30, 60, and 600 seconds). The estimation of the parameters characterizing the probability density functions was performed using different methods; the statistical models were evaluated by the coefficient of determination and the Nash-Sutcliffe efficiency coefficient, while their accuracy by the measured quadratic error, the mean square error, the mean absolute error, and the mean absolute percentage error. It was found that Weibull with the energy pattern factor method and Gamma using the method of moments were the probability density functions that best describe the statistical behavior of the wind speed and, therefore, better estimate the energy generated, so it is concluded that the proposed methodology will allow having greater confidence, both in the estimation of the wind speed and in the small wind energy available for its use.

Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre and post-oxygen defects (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25⸱8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g-1 at 0.1 A g-1, underscoring its promise for advanced energy storage solutions.

Density functional theory (DFT) and coupled cluster theory (CCSD(T)) calculations are performed to investigate the geometric, electronic structures and chemical bonding of a series of Cu-doped zinc oxide clusters, CunZn3O3 (n = 1-4). The structural evolution of CunZn3O3 (n = 1-4) clusters are elaborated in our work. The planar seven-membered ring of CuZn3O3 cluster plays an important role in the structural evolution, that is, the Cu atom, Cu dimer (Cu2) and Cu trimer (Cu3) anchor on the CuZn3O3 cluster. The aggregate behavior of Cu atoms on Zn3O3 may offer insight into the study of Cu/ZnO-based catalysts. Additionally, it is found that the CunZn3O3 clusters become more stable as the Cu content (n) increases. Bader charge analysis points out that as the Cu atoms doping, the reducibility of Cu aggregation (Cun-1) on the CuZn3O3 cluster increases. Combined with the d-band centers and the surface electrostatic potential (ESP), the reactivity and the possible reaction sites of CunZn3O3 (n = 1-4) clusters are also illustrated.

Magnesium, as one of the most abundant cation in the human body, plays an important role in both physiological and pathological processes. In this study, it was shown that a promising biomedical material Mg-substituted hydroxyapatite (Mg-HA) can be synthesized via fast mechanochemical method. For this method, the nature of magnesium-contained carriers was shown to be important. When using magnesium oxide as a source of magnesium, the partial insertion of magnesium cations into the apatite structure occurs. In contrast, when magnesium hydroxide or monomagnesium phosphate is used, a single-phase Mg-HA is formed. Both experimental and theoretical investigations showed that an increase in the Mg content leads to a decrease in the lattice parameters and unit cell volume of Mg-HA. Density functional theory calculations showed the high sensitivity of the lattice parameters towards the crystallographic position of the calcium site substituted by magnesium. It was shown experimentally that insertion of magnesium cations decreases the thermal stability of the hydroxyapatite. The thermal decomposition of Mg-HA leads to the formation of a mixture of stoichiometric HA, magnesium oxide and Mg-substituted tricalcium phosphate phases.

The purpose of this study is to identify the different effects exerted by planting density and nitrogen fertilization on high-salinity Reclaimed Paddy Fields(RPF) and General Paddy Fields(GPF), and to find the amount of fertilization and the planting density suitable for the growth of forage rice in each paddy field. In both experimental locations, there was no significant change in the soil due to N treatment, but in the case of RPF, electrical conductivity(EC) decreased significantly from more than 5dS/m to up to 2.87dS/m during the yellow ripe stage due to the influence of floods and concentrated precipitation on the fields. In all soils, as both the amount of N treatment and the planting density increased, there was a proportional relationship in which the number of tillers and the dry weight also increased, with the occurrence of lodging also being increased. The dry weight, as expected, was 1.5 times higher at a planting distance of 10 cm, rather than 16 cm. In addition, in both locations N treatment led to an increase in the dry weight, but when N treatment reached 400kg/ha (2.0), the dry weight decreased instead. Moreover, although there was no clear difference in feed value according to N treatment, in RPF, neutral detergent fiber(NDF) was higher than 60%, RFV was less than 98, and TDN was also low, confirming that the quality of rice was higher in GPF.

When describing the tribological behaviour of technical surfaces, the need for full length scale microtopographic characterization often arises. The self-affine of surfaces and the characterization of self-affine by a fractal dimension and its implantation into tribological models are commonly used. The goal of our present work was to determine the frequency range of fractal behaviour of surfaces by analysing the microtopographic measurements of a brake plunger. We also wanted to know if the bifractal and multifractal behaviour can be detected in real machine parts. As a result, we developed a new methodology for determining the fractal range boundaries to separate the nano- and micro-roughness. In order to reach our goals, we used atomic force microscope (AFM) and stylus instrument to provide measurements in wide frequency range (19 nm - 3 mm). As a result of the power spectral density (PSD) based fractal evaluation, it was found that the examined surface could not be characterized by a single fractal dimension and that we developed a methodology for stopping the margin of validity of each fractal dimension, and we also developed a methodology for determining the limits of validity of certain fractal dimensions.

Large epidemiological studies show U-shaped relationships between high-density lipoprotein cholesterol (HDL-C) levels and all-cause mortality in individuals without atherosclerotic cardiovascular diseases (ASCVD). Association in those with ASCVD by sex is unclear. We examined the association between HDL-C levels and 10-year all-cause mortality in subjects (≥40 years of age) with ASCVD using the 2010 National Health Insurance Service and the National Death Registry of Korea. We categorized HDL-C levels into three groups (low: <40 mg/dL for males, <50 mg/dL for females; high: 40-90 mg/dL for males, 50-90 mg/dL for females; extremely high: >90 mg/dL) and 10 mg/dL intervals. We conducted a sex-stratified and adjusted Cox proportional hazards analysis. Out of 1,711,548 individuals (54% female, mean age 61.4 years), 10-year mortality was observed in 218,252 (12.8%). Males had a higher mortality rate than females (16.2% vs 9.8%; P<0.001). When adjusting for age, body mass index, LDL-cholesterol, triglycerides, hypertension, diabetes, smoking, and alcohol consumption, the low and extremely high HDL-C groups had significantly higher hazard ratios for 10-year mortality compared to the high HDL-C group in males [1.183 (1.166-1.199), 1.359 (1.288-1.434)] and in females [1.153 (1.138-1.169), 1.095 (1.029-1.167)]. The frequency distribution bars for the 10-year mortality rate showed sex-specific nadirs of 50-59 mg/dL in males and 70-79 mg/dL in females. In this ASCVD cohort, the extremely high HDL-C (>90 mg/dL) group had 35.9% and 9.5% higher 10-year mortality risk than the high HDL-C group for males and females, respectively. There was a slightly U-shaped relationship between baseline HDL-C levels and 10-year mortality rate, with earlier inflection in males than in females.

Early spaceborne laser altimetry mission development starts in pre-phase A design, where diverse ideas are evaluated against mission science requirements. A key challenge is predicting realistic instrument performance through forward modeling at arbitrary spatial scale. Analytical evaluations compromise accuracy for speed, while radiative transfer modeling is not applicable at global scale due to computational expense. Instead of predicting arbitrary properties of a lidar measurement, we develop a baseline theory to predict only the distribution of uncertainty specifically for the terrain elevation retrieval based on terrain slope and fractional canopy cover features through a deep neural network gaussian mixture model, also known as a mixture density network (MDN). Training data was created from differencing geocorrected GEDI L2B elevation measurements with 32 independent reference lidar datasets in the contiguous U.S. from the National Ecological Observatory Network. We trained the MDN and selected hyperparameters based on regional distribution predictive capability. On average, the relative error of equivalent standard deviation of predicted regional distributions was 15.9%, with some anomalies in accuracy due to generalization and insufficient feature diversity and correlation. As an application, we predict the percent of elevation residuals of a GEDI-like lidar within a given mission threshold from 60°S to 78.25°N, which correlate to qualitative understanding of prediction accuracy and instrument performance.

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.

A method for studying properties of the earth's surface tremor, measured by means of GPS, is proposed. Four characteristics of tremor are considered: the entropy of the distribution of wavelet coefficients, the Donoho-Johnston wavelet index, and two estimates of the spectral slope. The anomalous areas of tremor are determined by estimating the probability densities of extreme values of the studied properties. The criteria for abnormal tremor behavior are based on the proximity to, or the difference between, tremor properties and white noise. The greatest deviation from the properties of white noise is characterized by entropy minima and spectral slope and DJ index maxima. This behavior of the tremor is called "active". The "passive" tremor behavior is characterized by the maximum proximity to the properties of white noise. The principal components approach provides weighted averaged density maps of these 2 variants of extreme distributions of parameters in a sliding time window of 3 years are considered. Singular points are the points of maximum average densities. The method is applied to the analysis of daily time series from a GPS network in the West USA in 2009-2022. It turned out that singular points of tremor form well-defined clusters.

A method for studying properties of the earth's surface tremor, measured by means of GPS, is proposed. Four characteristics of tremor are considered: the entropy of the distribution of wavelet coefficients, the Donoho-Johnston wavelet index, and two estimates of the spectral slope. The anomalous areas of tremor are determined by estimating the probability densities of extreme values of the studied properties. The criteria for abnormal tremor behavior are based on the proximity to, or the difference between, tremor properties and white noise. The greatest deviation from the properties of white noise is characterized by entropy minima and spectral slope and DJ index maxima. This behavior of the tremor is called "active". The "passive" tremor behavior is characterized by the maximum proximity to the properties of white noise. The principal components approach provides weighted averaged density maps of these 2 variants of extreme distributions of parameters in a sliding time window of 3 years are considered. Singular points are the points of maximum average densities. The method is applied to the analysis of daily time series from a GPS network in the West USA in 2009-2022. It turned out that singular points of tremor form well-defined clusters.

Ozonated sunflower oil (OSO) is an established therapeutic agent and nutraceutical harboring various therapeutic values, including antiallergic, derma-protective, and broad-spectrum antimicrobial activity. Conversely, the medicinal aspects of OSO for wound healing, tissue regeneration, and treatment of inflammation in dyslipidemia have yet to be fully elucidated. Herein, a comparative effect of OSO and sunflower oil (SO) was investigated to heal cutaneous wound and tissue regeneration of zebrafish impediment by carboxymethyllysine (CML) toxicity, following impact on hepatic inflammation and blood lipid profile. After OSO (final 2%, 1 μL) and SO's (final 2%, 1 μL) treatment, substantial healing was elicited by OSO in the cutaneous wound of zebrafish impaired by CML (final 25 mg). As an important event of wound healing, OSO scavenges the reactive oxygen species (ROS), rescues the wound from oxidative injury, and triggers the essential molecular events for the wound closer. Furthermore, the intraperitoneal injection of OSO was noted to counter the CML-induced adversity and prompt tissue regeneration in the amputated tail fin of zebrafish. Additionally, OSO counters the CML-induced neurotoxicity and rescues the zebrafish from acute mortality and paralysis, along with meticulous recovery of hepatic inflammation, fatty liver changes, and diminished ROS and proinflammatory interleukin (IL)-6 production. Besides, OSO efficiently ameliorated CML-induced dyslipidemia by alleviating the total blood cholesterol (TC), triglyceride (TG) and increasing high-density lipoproteins cholesterol (HDL-C). The outcome of multivariate assessment employing principal component analysis and hierarchical cluster analysis supports a superior therapeutic potential of OSO over SO against the clinical manifestation of CML. Conclusively, OSO owing to its antioxidant and anti-inflammatory potential, counters CML-induced toxicity and promotes wound healing, tissue regeneration, hepatoprotection, improved blood lipid profile, and survivability of zebrafish.

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.

We have detected a large Nernst effect in the CDW state of the multiband organic metal α−(BEDT−TT)2KHg(SCN)4. We find that there exists a significant gradient of charge relaxation processes that can generate a sizeable contribution adding especially to the transverse thermoelectric signal. Apart from the phonon drag, the energy relaxation processes governing the electron-phonon interactions and the momentum relaxation processes governing the charge mobility of the q1D group of carriers have a significant role in observing the large Nernst signal in the CDW state. The emphasised momentum relaxation dynamics in the low field CDW state is a clear indicator of a significant carrier mobility that can lead to the largest Nernst signal in this state. The momentum relaxation is reduced with increasing angle and magnetic field, i.e., in the high field CDW state which is reflected in the smaller Nernst effect amplitude. In this case only the phonon drag and electron-phonon interactions are contributing to the transverse thermoelectric signal. Our findings advance and change the previous observations on the complex properties of this organic metal.

The gravitational constant is equivalent to natural units in its six unit dimensions. Evaluating the classical formulas in each unit dimension shows how inputs of mass and radius are transformed into the correct unit dimensions and magnitude of gravitational potential. Mass and radial distance are equivalent proportions of the Planck scale as the potentials they produce. Gravitational potentials of velocity, acceleration, energy, and force are proportional to a radial density limit of one Planck mass per Planck length of radial distance.

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.

Celiac disease (CD) is an autoimmune disorder triggered by gluten ingestion in genetically predisposed individuals. In addition to the typical gastrointestinal symptoms such as diarrhea, bloating, or chronic abdominal pain, CD may also present a wide spectrum of manifestations, including low bone mineral density (BMD) and osteoporosis. This review aims to describe the role of CD in the development of skeletal alterations, underlying important clinical aspects and therapeutic implications. The etiopathology of bone lesions in CD is multifactorial and their management is challenging. Here, we provide gastroenterologists and orthopedics with an up-to-date overview on the link between CD and osteoporosis to improve the management of the CD condition.

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.

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.

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.

Potato (Solanumtuberosum L.) is the world's largest non-cereal crop, occupying a position critical for global food security, the fourth largest crop food in China. Due to its location and weather conditions, Yunnan province is the fourth largest potato producer in China with twice yearly production system. However, compared to high number of consumers, potato yield is still low to satisfy the population need. In this study, we have analyzed impacts of three cultivation factors: (1) three cultivation models (T1, T2, and T3), (2) planting density (T1, T2, and T3), (3) soil covering (T1, T2, T3, T4) on plant growth, and yield production. The soil moisture content, temperature, roots growth, stems development, leaf area index, and number-weight of tubers per plant and per plot (g) have significantly increased with commercial yield average of 3tones/mu. This suggests that the combination of these three factors would be a great potato extension model in winter climate zones similar to Yunnan Province. This will contributes in satisfaction of the world population potato consumption need.

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”.

Complex biological systems consist of large numbers of interconnected units, characterized by emergent properties such as collective computation. In spite of all the progress in the last decade, we still lack a deep understanding of how these properties arise from the coupling between the structure and dynamics. Here, we introduce the multiscale emergent functional state, which can be represented as a network where links encode the flow exchange between the nodes, calculated using diffusion processes on top of the network. We analyze the emergent functional state to study the distribution of the flow among components of 92 fungal networks, identifying their functional modules at different scales and, more importantly, demonstrating the importance of functional modules for information content of networks, quantified in terms of network spectral entropy. Our results suggest that the topological complexity of fungal networks guarantees the existence of functional modules at different scales keeping the information entropy, and functional diversity, high.

This work has the purpose to demonstrate that if an adequate melt treatment is applied, it is pos-sible to obtain recycled aluminium alloy AlSi10MnMg(Fe) with as good metal cleanliness than primary AlSi10MnMg alloy. The melt quality is assessed by the thermal analysis, density index, macro- and micro-inclusions tests, of one primary and two secondary alloys, before and after the melt treatment. The melt treatment is based on deoxidation, degassing and skimming with de-tailed procedure described in this article. The different analysis are: Thermal analysis to compare the variables of the solidification cooling curve (Al primary temperature and its undercooling; Al-Si eutectic temperature and its recalescence); Density index is used to evaluate the hydrogen gas content in the melt; Macroinclusions level is analysed after solidifying the melt under vacuum of 5 mbar, favouring inclusion floatation to the sample surface; Microinclusion level is evaluate with porous disc filtration apparatus (similar to PoDFA).

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.

Denosumab is a human monoclonal antibody that neutralizes RANKL, a cytokine able to interact with the RANK receptor on preosteoclasts and osteoclasts, decreasing their recruitment and differentiation, leading to a decreased bone resorption. The aim of this observational real-life study was to analyze adherence to denosumab therapy, its effectiveness in increasing bone mineral density (BMD) and in modulating biochemical skeletal markers upon previous treatments with bisphosphonates in a group of post-menopausal women affected by osteoporosis. Women were recruited in the specialized center from March 2012 to September 2019. Biochemical markers were recorded at baseline and every six months prior to subsequent drug injection. Dual X-ray Absorptiometry was requested at baseline and after 18/24 months. Comparing BMD at baseline and after denosumab therapy in naive patients and in those previously treated with bisphosphonates, a positive therapeutic effect was observed in both groups. The results of our real-life study demonstrate, as expected, that BMD values significantly increased upon denosumab treatment. Interestingly, denosumab showed an increased effectiveness in patients previously treated with bisphosphonates. Moreover, biochemical markers data indicate that osteoporotic patients, without other concomitant unstable health conditions, could be evaluated once a year, decreasing the number of specialistic center access.

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.

This article is devoted to Feller's diffusion equation which arises naturally in probabilities and physics (e.g. wave turbulence theory). If discretized naively, this equation may represent serious numerical difficulties since the diffusion coefficient is practically unbounded and most of its solutions are weakly divergent at the origin. In order to overcome these difficulties we reformulate this equation using some ideas from the Lagrangian fluid mechanics. This allows us to obtain a numerical scheme with a rather generous stability condition. Finally, the algorithm admits an elegant implementation and the corresponding Matlab code is provided with this article under an open source license.

Synthesis and characterization of anhydrous LiZn(IO₃)₃ powders prepared from an aqueous solution are reported. Morphological and compositional analyses were carried out by scanning electron microscopy and energy dispersive X-ray measurements. The synthesized powders exhibit a needle-like morphology after annealing at 400°C. A crystal structure for the synthesized compound has been proposed from powder X-ray diffraction and density-functional theory calculations. Rietveld refinements led to a monoclinic structure, which can be described with space group P21, number 4, and unit-cell parameters a = 21.874(9) Å, b = 5.171(2) Å, c = 5.433(2) Å, and beta = 120.93(4)º. Density-functional theory calculations supported the same crystal structure. Infrared spectra were also collected and the vibrations associated to the different modes discussed. The non-centrosymmetric space group determined for this new polymorph of LiZn(IO₃)₃, the characteristics of its infrared absorption spectrum, and the observed second harmonic generation suggest a promising infrared non-linear optical material.

This paper considers estimating the ratio of two distributions with different parameters and common supports. We consider a Bayesian approach based on the Log--Huber loss function which is resistant to outliers and useful to find robust M-estimators. We propose two different types of Bayesian density ratio estimators and compare their performance in terms of Bayesian risk function with themselves as well as the usual plug-in density ratio estimators. Some applications such as classification and divergence function estimation are addressed.

The energy efficiency of grinding depends on the appropriate selection of cutting conditions, grinding wheel and workpiece material. Additionally, the estimation of specific energy consumption is a good indicator to control the energy consumed during the grinding process. Consequently, this study develops a model of material removal rate to estimate the specific energy consumption based on the measurement of active power consumed in a plane surface grinding of C45K with different thermal treatments and AISI 304. This model identifies and evaluates the power dissipated by sliding, ploughing and chip formation in a industrial-scale grinding process. Furthermore, the instantaneous positions of the abrasive grains during cutting are described to study the material removal rate. The estimation of specific chip formation energy is similar to that described by other authors in laboratory scale, which allows to validate the model and experiments. Finally, the results show that the energy consumed by sliding is the main phenomenon of energy dissipation in industrial-scale grinding process, where it is denoted that sliding energy by volume unity decreases as the depth of cut and speed of workpiece increase.

In the lowland forests of south-western Poland, the effect of the fencing of forest regeneration stages, aged up to 20 years, upon the level of damage inflicted by red deer (Cervus elaphus), fallow deer (Dama dama), and roe deer (Capreolus capreolus) in non-fenced patches of this age class of forest was studied. In the studied forest districts (n=4), there was the highest proportion of the mixed coniferous‑deciduous forest types, where the main forest‑forming tree species were pine (Pinus sylvertris), birch (Betula sp.), oak (Quercus sp.), beech (Fagus sylvatica), and spruce (Picea abies). At the forest district level, the percentage of fenced areas in young forest plantations (1‑10‑year old) ranged, on average, from 9.1-30.9%, and that in tickets (11-20‑year old) ranged from 0.0%-10.2%. The percentage of areas of severely damaged young plantations fluctuated between 5.7 and 14.2%, and that of tickets fluctuated between 0.3-12.9%. For young plantations, a statistically significant correlation (“r” ranged from 0.51-0.75) was obtained between percentage of area in fenced plots and the level of damage caused by deer. For thickets, this correlation was obtained solely in Pieńsk Forest District (r = 0.646). In the studied forest districts, the fencing of young plantations and thickets resulted in the reduction of average potential food base for cervids, from 2.9 to 10.0 %. An attempt was made to interpret the level of deer damage on the basis of an index, taking into account the standing crop of deciduous browse and forbs, and the population density of cervids.

The physical and economic sustainability of using Built Environment Wind Turbine (BEWT) systems depends on the wind resource potential of the candidate site. Therefore, it is crucial to carry out a wind resource assessment prior to deployment of the BEWT. The assessment results can be used as a referral tool for predicting the performance and lifespan of the BEWT in the given built environment. To date, there is limited research output on BEWTs in South Africa with available literature showing a bias towards utility-scale or conventional ground based wind energy systems. This study aimed to assess wind power generation potential of BEWT systems in Fort Beaufort using the Weibull distribution function. The results show that Fort Beaufort wind patterns can be classified as fairly good and that BEWTs can best be deployed at 15m for a fairer power output as roof height wind speeds require BEWT of very low cut-in speed of at most1.2ms⁻¹.

Plants are an important feature of urban ecosystems which provide numerous environmental and ecosystem benefits such as defenses against noise and air pollution and conservation of biodiversity. The aim of this study was to investigate the structure and composition of urban vegetation in different urban habitats like roadsides, parks, gardens and playgrounds in Dhaka South City area. Stratified random sampling method was used in this study. A total of 221 plant species belonging to 63 families were identified and recorded. Among all plant species Swietenia macrophylla, Polyalthia longifolia, Cocos nucifera, Samanea saman, and Artocarpus heterophyllus are recorded as the most dominant. Most of the tree and shrub population were found between 6-9 m and 1-3m height classes whereas most of tree and shrub population were found in between 10-15cm dbh classes. Highest IVI was found for Swietenia macrophylla (193.22%) followed by Polyalthia longifolia (184.59%), Samanea saman (138.37%), Cocos nucifera (79.9%) and Delonix regia (68.27%) respectively. Average frequency, density, dbh and basal area were found 46.82%, 138.28 tree ha^-1, 458.59 cm ha^-1 and 12.33 m² ha^-1 respectively. Findings of this study reveals that structural attributes of plant represent quite young and still developing vegetation. This research will help to plan for future green infrastructure which will maintain ecosystem function, therefore, providing longer term benefits for the city dwellers.

Face routing has been adopted in wireless sensor networks (WSNs) where topological changes occur frequently or maintaining full network information is difficult. For message forwarding in networks, a planar graph is used to prevent looping, and because long edges are removed by planarization and the resulting planar graph is composed of short edges, messages are forwarded along multiple nodes connected by them even though they can be forwarded directly. To solve this, face routing using information on all nodes within 2-hop range was adopted to forward messages directly to the farthest node within radio range. However, as the density of the nodes increases, network performance plunges because message transfer nodes receive and process increased node information. To deal with this problem, we propose a new face routing using the planar graphs of neighboring nodes to improve transfer efficiency. It forwards a message directly to the farthest neighbor and reduces loads and processing time by distributing network graph construction and planarization to the neighbors. It also decreases the amount of location information to be transmitted by sending information on the planar graph nodes rather than on all neighboring nodes. Simulation results show that it significantly improves transfer efficiency.

Long-term safety of a nutraceutical combination based on agnus castus and magnolia extracts combined with soy isoflavones (SI) and lactobacilli, and effectiveness on vasomotor symptoms and sleep disorders in postmenopausal women, were assessed. A controlled study was carried-out in menopausal women comparing this nutraceutical combination (ESP group) with formulation containing isoflavones alone (C group), at the dosage recommended. Kuppermann index, PSQI, and SF-36 were determined at baseline, 3, 6 and 12 months. Endometrial thickness, mammary density and liver function were evaluated at baseline and after 12 months. 180 women (100 in ESP group and 80 in C group, mean age 55.5 years, in menopause for about 36 months) were enrolled in the study. At the treatment end, mammary density, endometrial thickness, and hepatic function did not show substantial differences between groups. Kuppermann index, and particularly hot flushes, were progressively and significantly decreased in frequency and severity during ESP versus C treatment. No adverse events were observed. Agnus castus and magnolia, combined with SI + lactobacilli, can effectively and safely be used in symptomatic postmenopausal women, mainly when quality of sleep is the most disturbing complaint. Endometrium, mammary glands and liver function, were unaffected after 12 months treatment.

Having in view the sustainable management of forests, the intensity of silvotechnical interventions is analyzed and documented for young mixed beech stands regenerated naturally by taking into account the allometric relationships between some representative dendrometric elements, respectively, between the height of the trees and the corresponding diameter of their crowns. For this purpose, a functional dependence is established between the height and diameter of the tree crown from young beech stands within which silvotechnical interventions were or were not applied. A mathematical model based on cubic spline regression was developed, also taking into account the determination of the average diameter of the crown for each stand. This average diameter can be used to determine the optimal number of trees per surface unit (ha) at a given time. The research was carried out in three young beech stands, through statistical-mathematical inventories, on sample plots of 300 square meters with a tolerance of 10% and a coverage probability of 90%. The optimal diameter of the crown was obtained by applying the spline regression model, and the most appropriate functional dependence was established, resulting in a linear regression law with a positive slope.

We propose a model for gravity based on the gravitational polarization of space. With this model, we can relate the density parameters within the Friedmann model, and show that dark matter is bound mass formed from massive dipoles set up within the vacuum surrounding ordinary matter. Aggregate matter induces a gravitational field within the surrounding space, which reinforces the original field. Dark energy, on the other hand, is the energy density associated with gravitational fields both for ordinary matter, and bound, or induced dipole matter. At high CBR temperatures, the cosmic susceptibility, induced by ordinary matter vanishes, as it is a smeared or average value for the cosmos as a whole. Even though gravitational dipoles do exist, no large scale alignment or ordering is possible. Our model assumes that space, i.e., the vacuum, is filled with a vast assembly (sea) of positive and negative mass particles having Planck mass, called planckions, which is based on extensive work by Winterberg. These original particles form a very stiff two component superfluid, where positive and negative mass species neutralize one another already at the submicroscopic level, leading to zero net mass, zero net gravitational pressure, and zero net entropy, for the undisturbed medium. It is theorized that the gravitational dipoles form from such material positive and negative particles, and moreover, this causes an intrinsic polarization of the vacuum for the universe as a whole. We calculate that in the present epoch, the smeared or average susceptibility of the cosmos equals, , and the overall resulting polarization equals, . Moreover, due to all the ordinary mass in the universe, made up of quarks and leptons, we calculate a net gravitational field having magnitude, . This smeared or average value permeates all of space, and can be deduced by any observer, irrespective of location within the universe. This net gravitational field is forced upon us by Gauss’s law, and although technically a surface gravitational field, it is argued that this surface, smeared value holds point for point in the observable universe. A complete theory of gravitational polarization is presented. In contrast to electrostatics, gravistatics leads to anti-screening of the original source field, increasing the original value, , to, , where is the induced or polarized field. In the present epoch, this leads to a bound mass, , where is the sum of all ordinary source matter in the universe, and equals the relative permittivity. A new radius, and new mass, for the observable universe is dictated by the density parameters in Friedmann's equation, and Gauss’s law. These lead to the very precise values, , and, , respectively, somewhat larger than current less accurate estimates.

In 1969, Jean-Marie Souriau introduced a “Lie Groups Thermodynamics” in Statistical Mechanics in the framework of Geometric Mechanics. This Souriau’s model considers the statistical mechanics of dynamic systems in their "space of evolution" associated to a homogeneous symplectic manifold by a Lagrange 2-form, and defines in case of non null cohomology (non equivariance of the coadjoint action on the moment map with appearance of an additional cocyle) a Gibbs density (of maximum entropy) that is covariant under the action of dynamic groups of physics (eg, Galileo's group in classical physics). Souriau Lie Group Thermodynamics was also addressed 30 years after Souriau by R. F. Streater in the framework of Quantum Physics by Information Geometry for some Lie algebras, but only in the case of null cohomology. Souriau method could then be applied on Lie Groups to define a covariant maximum entropy density by Kirillov representation theory. We will illustrate this method for homogeneous Siegel domains and more especially for Poincaré unit disk by considering SU(1,1) group coadjoint orbit and by using its Souriau’s moment map. For this case, the coadjoint action on moment map is equivariant. For non-null cohomology, we give the case of Lie group SE(2). Finally, we will propose a new geometric definition of Entropy that could be built as a generalized Casimir invariant function in coadjoint representation, and Massieu characteristic function, dual of Entropy by Legendre transform, as a generalized Casimir invariant function in adjoint representation, where Souriau cocycle is a measure of the lack of equivariance of the moment mapping.

Addressing global environmental problem, water splitting to produce hydrogen fuel by solar energy is getting so much attention. In the water splitting, the essential problem to solve is the development of efficient　catalysts for oxygen production. In this paper, having the prospect for a practical application of photocatalysts to artificial photosynthesis, molecular mechanisms in the current literature are briefly reviewed. At first, recent progress in the function of Mn cluster at the natural photosystem II is briefly described. The kinds of devices in which oxygen evolution reaction (OER) catalysts are used were designated; water electrolyzers, photoelectrodes, and photocatalysts. Some methods for analyzing molecular mechanism in OER catalysis, emphasized by FTIR method, are shown briefly. After describing common OER mechanisms, the molecular mechanisms are discussed for TiO2 and BiVO4 photoelectrodes with our novel data, followed by presenting of co-catalysts IrO2, RuO2, NiO2, and other metal oxides for OER catalysts. Recent reports describing OER catalysts of perovskites, layered double hydroxides (LDH), metal-organic frameworks (MOF), single atom catalysts, as well as metal complexes are reviewed. Finally, by comparing with natural photosystem, the requiring factors to improve the activity of the catalysts for artificial photosynthesis will be discussed.

Thermoplastic fiberglass has been compression molded in the shape of thick panels with the nominal thickness of 10 mm and the size of 300x300 mm2. A simplified procedure has been adopted to speed up the lamination procedure, and making it adapt to the aim of recycling waste glass fiber fabrics and thermoplastics films. Low density polyethylene has been used as matrix to simplify the laboratory activities, but the same procedure can be extended to any other thermoplastic film, such as polyamide. The final thermoplastic composite shows unique properties in terms of repairability and improves its performances by increasing the number of repairing steps. For this aim, a repairability test has been designed in the bending configuration, and 3 consecutive cycles of bending/repairing/bending have been carried out. Static mechanical properties were, instead, low in comparison with traditional fiberglass, because of the choice of a polyethylene matrix. Bending tests have shown that the maximum strength is lower than 10 MPa and the elastic modulus less than 1 GPa. Nevertheless, the toughness of the thermoplastic composite was very high, and the samples continued to deform under bending for any displacement.

The study of supermassive black holes has significantly advanced our understanding of galaxy structures, yet fundamental questions remain, particularly concerning the structure and dynamics of massive black holes. This article addresses the core structure of massive black holes, defined as those originating from supernova events. Integrating the concept of "Dachus density," a state of maximum matter density, I propose that the core of all massive black holes exists at this density. The research investigates the size of these cores and their event horizons, using Cygnus X-1 and Sagittarius A* as examples. Calculations reveal that the core size is exceedingly small compared to the overall black hole, with the core's volume being up to ~155 orders of magnitude smaller than the event horizon volume in the case of Sagittarius A*. The article briefly explores the implications of a rotating Dachus core on the black hole's structure, including the "mantle" region between the core and the event horizon. The discussion extends to absolute zero temperature, asserting that for a non-spinning, static Massive black hole, the temperature of its core reaches 0[K] as in this state, particles do not move in relation to each other and do not have any kinetic and in particular rotational Energy.

Some evidence supports the influence of the implant macro-design and primary stability. Additionally, tactile perception can be used to assess implant stability when placing the implant. This research aimed to quantify the primary and secondary stability of three implant systems with two different macro geometries (cylindrical and conical) determined through the insertion torque and the implant stability quotient (ISQ) at the moment of implant placement as a function of implant-related factors (length, width, dental arch, and implant location in the arch), intraoperative factors (bone density determined subjectively by the clinician's tactile perception), and patient-related factors (age, gender and bone density determined objectively in the cone beam computed tomography (CBCT). Methods: 102 implants of three implant systems with two different macro geometries (conical and cylindrical) were placed in 53 patients. The insertion torque, the ISQ at the implant placement (ISQ0), and bone quality according to the clinician's tactile sensation were recorded on the day of the surgery. After a three-month healing period, the ISQ was re-evaluated (ISQ3). Results: Cylindrical implants exhibited significantly higher insertion torque and ISQ at the moment of the surgery and after three months than conical implants. Cylindrical implants also showed significantly lower indices of tactile evaluation of bone quality during the implant placement surgery. However, no differences were demonstrated in the bone density measured objectively in the CBCT. (4) Conclusions: The cylindrical implants achieved the highest values for primary stability (Ncm and ISQ) and secondary stability (ISQ after three months). Insertion torque was the variable that most influenced ISQ on the day of the surgery. Implant location (incisors-canines, bicuspids-molars) and the implant macro geometry were the variables that most influenced the secondary stability (ISQ at three months).

We primarily investigate the existence of solutions for fractional neutral integro-differential equations subjected to Neumann-type boundary conditions, which is crucial for understanding natural phenomena. Taking into account factors such as neutral type, fractional-order integrals, and fractional-order derivatives, we employ probability density functions, Laplace transforms, and resolvent operators to formulate a well-defined concept of a mild solution for the specified equation. Following this, by integrating fixed point theorems, we establish the existence of mild solutions under more relaxed conditions.

Osteoporosis is considered a serious public health problem, particularly affecting the postmenopausal period. In 2018, in the Republic of Kazakhstan the total and primary incidence was 10 and 3.7 cases per 100,000 adults, respectively. The objective is to study osteoporosis prevalence and indicate main factors affecting low bone mineral density by screening adult population of Abay region, Kazakhstan. The target group were 641 respondents aged between 18 and 65 years old, Kazakh population living in Abay region since birth. All participants filled out questionnaire and had a bone mineral density measurement by dual energy X-ray absorptiometry (DXA) between July 15, 2023 and February 29, 2024. Logistic regression analysis was conducted to assess the association between low bone mineral density and key demographic characteristics, aforementioned lifestyle factors and nutrition habits. We identified the prevalence of low bone density and osteoporosis at the level of 34.1% with the highest prevalence in the older population group (50+ years) - 48.3%. Regression analysis revealed a number of indicators associated with the likelihood of bone sparing. However, only 4 of these showed significance in the final multivariate model (R2=22.4%). These included age (AOR 1.05), body mass index (AOR 0.92), fracture history (AOR 1.64), consumption of nuts and dried fruits were associated with lower prevalence of osteoporosis (AOR 0.48). Our study was the first in Kazakhstan that investigates the association of key demographic, behavior and anamnestic factors with low mineral density.

The influence of aluminosilicate pozzolanic waste, specifically spent fluid catalytic cracking catalyst (FCCW) and metakaolin waste (MK) from expanded glass industry, on the properties of hardened Portland cement paste were analysed. The study involved replacing part of cement with FCCW and MK and observing their impact on hydration, microstructure, density and compressive strength of hardened cement paste. Various analysis methods were employed, including X-ray diffraction (XRD), thermogravimetric analysis (TG), and scanning electron microscopy (SEM), to understand the changes in the structure of hardened cement paste during hydration. The findings revealed that FCCW tends to accelerate cement hydration process due to its high surface area and pozzolanic activity. Notably, the formation of portlandite crystals was observed on FCCW particle surfaces in a specific direction. These crystals appeared smaller and developed in different directions in compositions containing a composite binder with mixture of FCCW and MK in a ratio 1:1. This could be influenced by pozzolanic reactions activated by fine particles of MK and the formation of calcium silicate hydrates (CSH) and calcium alumino silicate hydrates (CASH) in the presence of portlandite. XRD and TG results indicated that the specimens containing a composite binder exhibited the least amount of portlandite. The compressive strength of these specimens increased compared to control specimens, although the amount of cement was 9% lower.

Coral reefs are one of the most productive yet vulnerable ecosystems on Earth. An important step in understanding the functioning of coral communities is studying the environmental impact on the state of reefs. The present study aimed to assess the impacts of the water temperature, precipitation, wave action and population density on the seasonal bleaching, partial and complete mortality of shallow-water branching corals of Pocillopora verrucosa species complex. The present study was conducted at the Dam Bay research station (Nha Trang Bay) from 26 April 2020 to 2 April 2021. Throughout the study the percentage of bleached coral colonies varied from 1 to 41.5% with two peaks, in autumn (October) and spring (April). Rates of the development of partial mortality varied from 0 to 10%, with a pronounced peak in December. At the end of the experiment, the percentage of coral colonies suffering from partial mortality reached 47%. Only 4,5% of experimental colonies died by the end of the study. Analysis revealed that water temperature and partial mortality are the drivers of bleaching, while wave action, temperature and bleaching are the factors with a significant impact on partial mortality. In the present study, the main cause of coral death was the development of algal fouling at the sites of colony lesions, which gradually spread over the entire surface of the colony. We showed also that the impact of individual stress on mortality prevailed over the impact of seasonal bleaching and partial mortality events.

Transportation is the primary consumer of oil, accounting for a significant portion of global energy consumption (34%) and CO2 emissions (40%). Electrifying road transportation is crucial to mitigate the effects of global warming. The abundant potential of renewable energy sources like solar and wind is hindered by their intermittent nature and incongruity with peak energy demands. This calls for the development of sophisticated energy storage solutions. Metal-air batteries (MABs), emerging as viable alternatives to lithium-ion batteries (LIBs), have attracted considerable attention due to their promising applications in the transportation sector. Despite substantial progress in MAB development over the past two decades, overcoming critical challenges such as electrolyte decomposition, carbon cathode degradation, anodic dendrite growth, and air impurities remains essential for their commercial viability. This mini-review provides a comprehensive overview of MAB fundamentals and the challenges associated with their development. The insights presented in this review serve to illuminate the current landscape and future prospects of MABs in the transportation sector.

The initiation of micro-cracks in concrete is primarily due to its brittleness, which causes severe impacts on the overall behaviour of the concrete. However, incorporating fibers in concrete can increase its strength and performance. The nylon fibers used in this study were of two types: Ny-lon Fiber Threads (NFT) and Nylon Fiber Strands (NFS). This research aims to examine the effect of nylon fiber on the mechanical properties of plain cement concrete (PCC). The potential strength of nylon-fiber reinforced concrete (NFRC) was determined versus that of PCC, at fiber content of 2.5 kg/m3. The compressive strength of concrete 30 MPa with a water-cement ratio of 0.4 was produced to investigate the workability and density tests of conventional and fiber-reinforced concrete (FRC). The concrete beams and cylinder samples were tested for compressive, splitting, and flexural strength using ASTM standards (ASTM C-39, C-496, and D-790). It was found that NFT-reinforced samples achieved higher hardened properties of concrete (13.05%) compared to that NFS-reinforced samples. Test results showed that the incorporation of fiber in the concrete decreased the compressive strength of the concrete of cylinder and cube by 0–10% and 5–15%, respectively, however, it increased the splitting tensile and flexural strengths by 0-15%, and 5-15% respectively. Furthermore, the incorporation of nylon fibers (NF) in PCC significantly enhanced the ductility and delayed the cracks initiation in concrete.

This paper presents the tensor properties of joint probability densities on a Riemannian manifold. Initially we develop a binary data matrix to record variables' values of a large number of particles confining in a closed system at a certain time in order to retrieve the joint probability densities of related variables. By introducing the particle oriented coordinate and generalized inner product as a multi-linear operation on the basis of this coordinate, we extract the set of joint probabilities and prove them to meet covariant tensor properties on a general Riemannian space of variables. Based on the Taylor expansion of scalar field in Riemannian manifolds, it has been shown that the symmetrized iterative covariant derivatives of cumulative probability function defined on Riemannian manifold also gives the set of related joint probability densities equivalent to the aforementioned multi-linear method. We show these covariant tensors reduce to classical ordinary partial derivatives in ordinary Euclidean space with Cartesian coordinates and gives the formal definition of joint probabilities by partial derivatives of cumulative distribution function. The equivalence between symmetrized covariant derivative and generalized inner product has been concluded. Some examples of well-known physical tensors clarify that many deterministic physical variables are presented as tensor densities with an interpretation similar to probability densities.

A twin-screw extruder was used to fabricate poly(butylene succinate) (PBS)/high density polyethylene (HDPE) blends (7:3 weight ratio) and blend-based nanocomposites. Carbon nanotubes (CNTs), graphene nanoplatelets (GNPs) and organoclays (15A and 30B) served as the nanofiller, while maleated HDPE (PEgMA) acted as an efficient compatibilizer for the blend. In the composites, individual nanofillers were mostly localized in HDPE domains, but some fillers were also observed at PBS-HDPE interfaces. The sea-island morphology of compatibilized blend evolved into a pseudo-co-continuous morphology in the composites. Differential scanning calorimetry results confirmed that PEgMA with HDPE evidently accelerated the crystallization of PBS in the blend. The possible nucleation effect of added fillers on PBS crystallization was obscured by the formation of quasi-connected HDPE domains, causing less PBS nucleation sites. The presence of nanofillers improved the thermal stability and burning anti-dripping behavior of the parent blend. The anti-dripping efficiency of added fillers followed the sequence: CNT>15A>30B>GNP. Rigidity of the blend was increased after formation of nanocomposites. In particular, adding GNP resulted in 31% increase in flexural modulus. Development of a pseudo-network structure in the composites was confirmed by measurement of rheological properties. Electrical resistivity of the blend was reduced by more than 6 orders of magnitude at 3 phr CNT loading, demonstrating the achievement of double percolation morphology.

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.

In recent years, the Chinese government pays more and more attention to agricultural development and ecological protection. While improving the cultivated land green use efficiency(CLGUE) is the key to promote the sustainable development of agriculture. This study aims to study the current situation and influencing factors of agricultural production from the perspective of green utilization efficiency of cultivated land. It takes 39 cities in the upper, middle and lower reaches of the Yangtze River basin in China as an example. The CLGUE values in those 39 cities from 2011 to 2020 were specifically measured, using the Super-SBM model, kernel density estimation and geographic detector method. Their temporal and spatial heterogeneity was described, and the influencing factors were detected at both single and interactive levels. The results showed that: （1）From 2011 to 2020, the green utilization efficiency value of cultivated land in the Yangtze River Basin showed an upward trend on the whole; （2）There is a clear spatial heterogeneity the CLGUE values in the Yangtze River Basin cities, as shown by: downstream region > midstream region > upstream region; (3) Cultivated land resource endowment, socioeconomic development, and agricultural production technology are important factors affecting the variability of CLGUE values. However, there are some differences in the degree and direction of influence of different influencing factors on different sample subgroups.

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.

The effect of graphene (GR) on Ni surface relaxation and reconstruction in three different substrate orientations: {111}, {001}, {011}, at two different temperatures: 300K and 400K was studied using Molecular Dynamics simulation. The change of the interplanar distances of the substrate and redistribution of Ni and C atoms in direction perpendicular to the surface were compared with the equilibrium state of GR and bulk Ni, in the absence of the counterpart. The surface reconstruction for GR/Ni system was analyzed base on the calculated radial pair distribution function of Ni and C atoms. The surface roughness was visualized using 2D atomic distribution maps. For the studied substrate orientations and temperatures, it was found that the most densely packed orientation of the Ni base {111} provides minimal changes of the structural parameters of both counterparts at 400 K.

This article is a logical continuation of the work of Nuritdinov et al. (2021). We analyzed space observations of the apparent surface density of 81 globular clusters (GCs) observed by GAIA DR2 and published in de Boer et al (2019). First, we studied the features of the quality of the GC surface density data, including comparing them with the HST data. Using our 3-parameter model, previously tested on the example of HST space observations, we found the values of the stellar concentration parameter towards the center of the cluster. As a result, we found good correlations of this parameter with the physical characteristics of the GCs. We have also found the corresponding empirical formulas for this parameter.

In studies of dynamic stability and power quality, it is necessary to know the mechanical parameters that determine the transient response of a wind turbine. The exact value of these parameters is not as decisive as the power curve can be, but an estimate that is far from reality can distort or even invalidate the simulation results. Despite its importance, this information, especially the inertia, but also the stiffness and damping constant of the drive-train, is hardly available for the turbine model under investigation. In this work, the different bibliographical sources that provide values of blade inertia in kg·m2 will be reviewed, and above all, those that provide a distribution of masses along the span of the blade. With this, different reliable relations will be obtained that allow calculating the inertia of the turbine rotor, based on the mass and length of the blade. When the center of gravity is also available, a very correlated expression is provided to obtain the inertia. The even rarer references to the stiffness and damping constant of the drive-train will also be reviewed.

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.

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.

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.

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.

The Brahmaputra is one of the largest rivers in the world, ranking fifth in average discharge. As a result, it is heavily braided with various intricate paths in order to dissipate its huge energy. Although this river is normally classed as a braided river, it has recently been classified as an anastomosing river due to its multi-channel features over alluvial plains. Additionally, the Brahmaputra river’s morphology is random in nature as a result of its high flow variability and bank erodibility. Its anastomosing planform changes in response to seasonal water and sediment waves, resulting in a morphology that is extremely complex. The purpose of this study is to examine the Brahmaputra river’s anastomosing planform entropy as a measure of complexity, power spectral density as a measure of fluctuation and their relationship to the energy expenditure as an imprint of flflow rate of river systems on alluvial landscapes.

Description of redox reactions is critically important for understanding and rational design of materials for electrochemical technologies including metal-ion batteries, catalytic surfaces, or redox-flow cells. Most of these technologies utilize redox-active transition metal compounds due to their rich chemistry and their beneficial physical and chemical properties for these types of applications. A century since its introduction, the concept of formal oxidation states (FOS) is still widely used for rationalization of the mechanisms of redox reactions, but there exists a well-documented discrepancy between FOS and the electron density-derived charge states of transition metal ions in their bulk and molecular compounds. We summarize our findings and those of others which suggest that density-driven descriptors are in certain cases better suited to characterize the mechanism of redox reactions, especially when anion redox is involved, which is the blind spot of the FOS ansatz.

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.