The minimum energy structures of the Si3C5 and Si4C8 clusters are planar and contain planar tetracoordinate carbons (ptCs). These species have been classified, qualitatively, as global () and local () aromatics according to the adaptive natural density partitioning (AdNDP) method, which is an orbital localization method. This work evaluates these species' aromaticity, focusing on confirming and quantifying their global and local aromatic character. For this purpose, we use an orbital localization method based on the partitioning of the molecular space according to the topology of the electronic localization function (LOC-ELF). In addition, the magnetically induced current density is analyzed. The LOC-ELF-based analysis coincides with the AdNDP study (double aromaticity, global and local). Besides, the current density analysis detects global and local ring currents. The strength of the global and local current circuit is significant, involving 4n+2 - and -electrons, respectively. The latter implicates the Si-ptC-Si fragment, which would be related to the 3c-2e -bond detected by the orbital localization methods in this fragment.

Crowd density estimation is an important task for crowd monitoring. Many efforts have been done to automate the process of estimating crowd density from images and videos. Despite series of efforts, it remains a challenging task. In this paper, we proposes a new texture feature-based approach for the estimation of crowd density based on Completed Local Binary Pattern (CLBP). We first divide the image into blocks and then re-divide the blocks into cells. For each cell, we compute CLBP and then concatenate them to describe the texture of the corresponding block. We then train a multi-class Support Vector Machine (SVM) classifier, which classifies each block of image into one of four categories, i.e. Very Low, Low, Medium, and High. We evaluate our technique on the PETS 2009 dataset, and from the experiments, we show to achieve 95% accuracy for the proposed descriptor. We also compare other state-of-the-art texture descriptors and from the experimental results, we show that our proposed method outperforms other state-of-the-art methods.

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.

Fire-tolerant eucalypt forests of south eastern Australia are assumed to fully recover from even the most intense fires but surprisingly very few studies have quantitatively assessed that recovery. Accurate assessment of horizontal and vertical attributes of tree crowns after fire is essential to understand the fire’s legacy effects on tree growth and on forest structure. In this study, we quantitatively assessed individual tree crowns 8.5 years after a 2009 wildfire that burnt extensive areas of eucalypt forest in temperate Australia. We used airborne lidar data validated with field measurements to estimate multiple metrics that quantified the cover, density, and vertical distribution of individual-tree crowns in 51 plots of 0.05 ha in fire-tolerant eucalypt forest across four wildfire severity types (unburnt, low, moderate, high). Significant differences in the field-assessed mean height of fire scarring as a proportion of tree height, and in the proportions of trees with epicormic (stem) resprouts were consistent with the gradation in fire severity. Linear mixed-effects models indicated persistent effects of both moderate- and high-severity wildfire on tree crown architecture. Trees at high-severity sites had significantly less crown projection area and live crown width as a proportion of total crown width than those at unburnt and low-severity sites. Significant differences in lidar-based metrics (crown cover, evenness, leaf area density profiles) indicated that tree crowns at moderate- and high-severity sites were comparatively narrow and more evenly distributed down the tree stem. These conical-shaped crowns contrasted sharply with the rounded crowns of trees at unburnt and low-severity sites, and likely influenced both tree productivity and the accuracy of biomass allometric equations for nearly a decade after the fire. Our data provide a clear example of the utility of airborne lidar data for quantifying the impacts of disturbances at the scale of individual trees. Quantified effects of contrasting fire severities on the structure of resprouter tree crowns provide a strong basis for interpreting post-fire patterns in forest canopies and vegetation profiles in lidar and other remotely-sensed data at larger scales.

In the year 2017, about 89 percent of the total energy consumed in the US was produced using non-renewable energy sources, and about 43 percent of tenant households were cost-burdened. Local governments are in a unique position to facilitate green affordable housing that could reduce cost burdens, environmental degradation, and environmental injustice. Nonetheless, limited studies have made progress on costs and benefits of green affordable housing to guide decision-making, particularly in small communities. This study investigates density bonus options for green affordable housing by analyzing construction costs, sale prices, and spillover effects for green certifications and affordable housing units. The authors employ construction costs and sale data from 422 Low-Income Housing Tax Credit (LIHTC) projects and 11,418 Multiple Listing Service (MLS) transactions in Virginia. Using hedonic regression analyses controlling for mediating factors, we find that the new construction of market-rate green certified houses is associated with small upfront costs but large and statistically significant price premiums. The construction of market-rate green certified houses has large and statistically significant spillover effects on existing non-certified houses. Existing non-certified affordable housing units show small and statistically insignificant negative price impacts on transactions of surrounding properties. The magnitude of social benefits associated with green building justifies the local provision of voluntary programs for green affordable housing where housing is expensive relative to its basic costs of production to promote sustainable development.

Understanding the physical properties of ultramafic rocks is important for evaluating awide variety of petrologic models of the oceanic lithosphere, particularly upper mantle and lower crust. Hydration of oceanic peridotites results in increasing serpentine content, which affects lithospheric physical properties and the global bio/geochemical cycles of various elements. In understanding tectonic, magmatic and metamorphic history of the oceanic crust, interpreting seismic velocities, rock composition and elastic moduli are of fundamental importance. In this study we show that as serpentine content increases, density decreases linearly with a slope of 7.85. We also correlate increase in serpentine content with a linear decline in shear, bulk and Young’s moduli with slopes of 0.48, 0.77, 0.45 respectively. Our results show that increase in serpentine content of lower crust and forearc mantle could decrease elasticity of lithospehere and result in break-offs. Therefore tectonic processes at peridotite rich slow spreading ridges may be strongly affected by serpentine content, particularly serpentinization may be responsible for discontinuities in thin crust, and formation of weak fault zones.

A precise understanding of the genes and associated genomes of SARS-CoV2 is important for various reasons such as discovering origin of the virus and virulence and so on. A thorough descriptive understanding of the SARS-CoV2 genomes and other coronavirus of the beta-coronavirus genus is primarily important. In this article, a set of ten genomes of four CoVs and their associated genes are considered for this present study. A spatial representations of nucleotide bases including purine-pyrimidine representations of the different genes of the corresponding genomes are quantified using Hurst exponent, Shannon entropy and density estimation of different nucleotides including GC content, in order to draw a comparison and contrast among the ten genomes of different types of CoVs which include MERS, SARS-CoV, HKU1 (Human Coronavirus) and associated their genes.

The relative dislocation density of aluminum and copper samples is quantitatively measured using linear Resonant Ultrasound Spectroscopy (RUS). For each metallic group, four samples were prepared with different thermomechanical treatments in order to induce changes in their dislocation densities. The RUS results are compared with Nonlinear Resonant Ultrasound Spectroscopy (NRUS) as well as Second Harmonic Generation (SHG) measurements. NRUS has a higher sensitivity by a factor of two to six and SHG by 14% to 62%. The latter technique is, however, faster and simpler. As main a result we obtain a quantitative relation between the changes in the nonlinear parameters and the dislocation density variations, which in a first approximation is a linear relation between these differences. We also present a simple theoretical expression that explains the better sensitivity to dislocation content of the nonlinear parameters with respect to the linear ones. X-Ray diffraction measurements, although intrusive and less accurate, support the acoustics results.

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

We have an aversion to density in America. Density is a continual trope in this country, blamed for all of the ills of urban life, from crime and racial unrest in the middle of the 20th century to public health concerns today. In the early stages of the COVID pandemic density was the culprit, even though we’ve subsequently seen outbreaks in rural areas and sprawling cities across the United States. This paper will look into the root of America’s problems with density and argue that density is not the problem but the solution to the challenges of today’s and tomorrow’s cities. As we deplete the resources of the planet, density is our most direct pathway to recover some balance with nature. Dense living is more efficient, less carbon intensive and more environmentally sustainable. As geospatial differentiations matter less due to advances in communication technology, it's the density of people and ideas that will continue to fuel innovation. Finally, in a world that is increasingly dominated by pluralism, denser living promotes openness, tolerance and diversity.

Formalism proofing general derivation, applying matrix properties operations, showing fundamental relationships with inner product to outer product has been advanced here. This general proof formalism has direct application with physics to quantify quantum density at micro scale level to time commutator at macro scale level. System of operator algebraic equations have been rigorously derived to obtain analytic solutions which are physically acceptable. Extended physics application will include metricizing towards unitarization to achieve gaging Hamiltonian mechanics to electromagnetic gravitational strong theory, towards grand unifying physics atomistic to astrophysics or vice versa via quantum relativistic general physics thereby patching to classical physics fields energy.

Normally, the Nernst voltage calculated from the concentration of the reaction gas in the flow channel is considered to be the ideal voltage (reversible voltage) of the oxyhydrogen fuel cell, but actually it will cause a concentration gradient when the reaction gas flows from the flow channel through the gas diffusion layer to the catalyst layer. The Nernst voltage loss in fuel cells in most of the current literature is thought to be due to the difference in concentration of reaction gas in the flow channel and concentration of reaction gas on the catalyst layer at the time when the high net current density is generated. Based on the Butler-Volmer equation in oxyhydrogen fuel cell, this paper demonstrates that the Nernst voltage loss is caused by the concentration difference of reaction gas in flow channel and on the catalytic layer at the time when equilibrium potential (Galvanic potential) of each electrode is generated.

We present a MATLAB-based, open source reconstruction software for Hybrid Imaging problem arising from Current Density Impedance Imaging (CDII) and Acoustic-Electrical Impedance Tomography (AEIT), utilizing mixed finite element method solver of Darcy toolbox {\tt DarcyLite}~. For a formulation of hybrid inverse problems in impedance tomography the successive substitution iterative schemes are adapted and an reconstruction algorithm is developed. The problem formulation is a class of hybrid imaging modality which is current density impedance imaging or Acoustic-Electrical Impedance Tomography. The proposed algorithm is implemented numerically in two dimensions.

Southern highbush blueberry plantations have been expanded into worldwide non-traditional growing areas with elite cultivars and improved horticultural practices. This article presents a comprehensive review of current production systems – alternatives to traditional open field production – such as production in protected environments, high-density plantings, evergreen production, and container-based production. We discuss the advantages and disadvantages of each system and compare their differences to the open field production. In addition, potential solutions have been provided for some of the disadvantages. We also highlight some of the gaps existing between academic studies and production in industry, providing a guide for future academic research. All these alternative systems have shown the potential to produce high yields with high quality berries. Alternative systems, compared to the field production, require higher establishment investments and thus create an entry barrier for new producers. Nevertheless, with their advantages, alternative productions have potential to be profitable.

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.

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.

One of the most rapidly advancing areas of deep learning research aims at creating models that learn to disentangle the latent factors of variation from a data distribution. However, modeling joint probability mass functions is usually prohibitive, which motivates the use of conditional models assuming that some information is given as input. In the domain of numerical cognition, deep learning architectures have successfully demonstrated that approximate numerosity representations can emerge in multi-layer networks that build latent representations of a set of images with a varying number of items. However, existing models have focused on tasks requiring to conditionally estimate numerosity information from a given image. Here we focus on a set of much more challenging tasks, which require to conditionally generate synthetic images containing a given number of items. We show that attention-based architectures operating at the pixel level can learn to produce well-formed images approximately containing a specific number of items, even when the target numerosity was not present in the training distribution.

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).

In this paper we describe and exploit a geometric framework for Gibbs probability densities and the associated concepts in statistical mechanics, which unifies several earlier works on the subject, including Souriau's symplectic model of statistical mechanics, its polysymplectic extension, Koszul model, and approaches developed in quantum information geometry. We emphasize the role of equivariance with respect to Lie group actions and the role of several concepts from geometric mechanics, such as momentum maps, Casimir functions, coadjoint orbits, and Lie-Poisson brackets with cocycles, as unifying structures appearing in various applications of this framework to information geometry and machine learning. For instance, we discuss the expression of the Fisher metric in presence of equivariance and we exploit the property of the entropy of the Souriau model as a Casimir function to apply a geometric model for energy preserving entropy production. We illustrate this framework with several examples including multivariate Gaussian probability densities, and the Bogoliubov-Kubo-Mori metric as a quantum version of the Fisher metric for quantum information on coadjoint orbits. We exploit this geometric setting and Lie group equivariance to present symplectic and multisymplectic variational Lie group integration schemes for some of the equations associated to Souriau symplectic and polysymplectic models, such as the Lie-Poisson equation with cocycle.

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

Rapid increase in digital data coupled with advances in deep learning algorithms is opening unprecedented opportunities for incorporating multiple data sources for modeling spatial dynamics of human infectious diseases. We used Convolutional Neural Networks (CNN) in conjunction with satellite imagery-based urban housing and socio-economic data to predict disease density in a developing country setting. We explored both single (uni) and multiple input (multimodality) network architectures for this purpose. We achieved maximum test set accuracy of 81.6 per cent using a single input CNN model built with one convolutional layer and trained using housing image data. However, this fairly good performance was biased in favor of specific disease density classes due to an unbalanced data set despite our use of methods to address the problem. These results suggest CNN are promising for modeling spatial dynamics of human infectious diseases, especially in a developing country setting. Urban housing signals extracted from satellite imagery seem suitable for this purpose, under the same context.

In this paper we establish some weighted integral inequalities of Ostrowski, Čebyšev and Lupaş type. Applications for continuous probability density functions supported on infinite intervals with two examples are also given.

The design of more efficient photosensitizers is a matter of great importance in the field of cancer treatment by means of photodynamic therapy. One of the main processes involved in the activation of apoptosis in cancer cells is the oxidative stress on DNA once a photosensitizer is excited by light. As a consequence, it is a matter of great relevance to investigate in detail the binding modes of the chromophore with DNA, and the nature of the electronically excited states that participate in the induction of DNA damage, for example, charge-transfer states. In this work, we investigate the electronic structure of the anthraquinone photosensitizer intercalated into a double-stranded poly(dG-dC) decamer model of DNA. First, the different geometric configurations are analyzed by means of classical molecular dynamics simulations. Then, the excited states for the most relevant poses of anthraquinone inside the binding pocket are computed by an electrostatic-embedding quantum mechanics/molecular mechanics approach, where anthraquinone and one of the nearby guanine residues are described quantum mechanically to take into account intermolecular charge-transfer states. The excited states are characterized as monomer, exciton, excimer and charge-transfer states based on the analysis of the transition density matrix, and each of these contributions to the total density of states and absorption spectrum is discussed in terms of the stacking interactions. These results are relevant as they represent the footing for future studies on the reactivity of anthraquinone derivatives with DNA and give insights on possible geometrical configurations that potentially favor the oxidative stress of DNA.

This study investigated the development of Aedes aegypti density in houses of the urban locality of Poblado Miguel Alemán Valdes, in the Sonora state of Mexico, after application of 1% propoxur paint as full wall coverage (IP) and targeted indoor painting (IP 1m) in comparison to IRS with propoxur 70% WP (full wall coverage). The 1% propoxur paint was applied by the homeowners by brushing and rolling at the recommended dose of 1L/8 m², equivalent to 1.5 g a.i./m², while IRS was conducted by professionals with Propoxur 70% WP at a dose of 1 g a.i./m². Adult mosquito surveys were conducted in a random sample of houses in each block one week before the interventions and at week 1, month 1 to 4, month 6, month 9 and month 12 post-interventions. All three propoxur based treatments provided similar reductions (43.7%, 44.9% and 41.3% for IP, IP 1m and IRS respectively) in the fraction of houses positive in female Aedes aegypti resting indoor and outdoor as one year average of 8 follow up surveys. Indoor resting density of Aedes females during the one-year evaluation was reduced by 77.5% through IP followed by IP 1m with 64.2% reduction and 30% reduction with IRS. Culex mosquitoes’ interior density was affected as well by the insecticide treatments with similar average reductions for IP 1m (50.0%) and IRS (57.8%) in comparison with control. Aedes breeding was impacted by the insecticide paint in similar extent for both interventions, expressed by a substantial reduction of the House Index (20.1% IP, 31.2% IP 1m) and especially the Container Index (51.8% IP, 61.7% IP 1m) during the one-year surveys in comparison to control. In contrast, IRS treated block experienced an increase in both indexes. However, despite IP and IP 1m impacted in Aedes adult and immature indexes with noticeable reductions, the differences in all cases were not significative among the different insecticide treatments. The low sample size and mosquito population levels may have influenced the statistical outcomes. More than 80% of the interviewed residents were satisfied with the effectiveness of the paint and IRS treatments. The determination of the blood cholinesterase activity of tested individuals after the use of the carbamate paint and IRS in this study did not exceed acceptable inhibition limits. This study suggests that the application of propoxur paint by homeowners as full house coverage or as targeted indoor painting can be a safe and accepted intervention method for density reduction of Aedes aegypti populations in urban environments.

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.

For a dynamical system, it is known that the existence of a Lyapunov density implies almost global stability of an equilibrium. It is then natural to ask whether the existence of a common Lyapunov density for a nonlinear switched system implies almost global stability, in the same way as a common Lyapunov function implies global stability for nonlinear switched systems. In this work, the answer to this question is shown to be affirmative as long as switchings satisfy a dwell-time constraint with an arbitrarily small dwell time. As a straightforward extension of this result, we employ multiple Lyapunov densities in analogy with the role of multiple Lyapunov functions for the global stability of switched systems. This gives rise to a minimum dwell time estimate to ensure almost global stability of nonlinear switched systems, when a common Lyapunov density does not exist. The results obtained for continuous-time switched systems are based on some sufficient conditions for the almost global stability of discrete-time non-autonomous systems. These conditions are obtained using the duality between Frobenius-Perron operator and Koopman operator.

Three-dimensional (3D) printing technologies are transforming the design and manufacture of components and products across a variety of disciplines, however their application in the construction industry is still limited. Material deposition processes can achieve infinite geometries and have advanced from rapid prototyping and model-scale markets to their application in fabricating functional products, large objects and the construction of full-scale buildings. Many international projects have recently been realized and the construction industry is beginning to utilise these dynamic technologies. The potential advantages for integrating 3D printing into house construction are significant, these include the capacity for mass customization of designs and parameters for functional and aesthetic purposes, reduction in construction waste from highly precise material placement, and the use of recycled waste products in layer deposition materials. With the ultimate goal of improving construction efficiency and decreasing building costs, applying Strand7 Finite Element Analysis software, a numerical model was designed specifically for 3D printing in a cement mix incorporated with recycled waste product High Density Polyethylene (HDPE) and found that construction of an arched truss-like roof was structurally feasible without the need for steel reinforcements. The lab sizes prototypes were manufactured based on the destined numerical model by using a 3D printing technology. Currently available 3D printing technologies can be adopted for building construction and this paper discusses the applications, advantages, limitations and future directions of 3D printing as an innovative and viable solution for affordable house construction.

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

Carbonate precipitation induced by microorganism has become a hot spot in the field of carbonate sedimentology, while the effect of different magnesium on biominerals has rarely been studied. Therefore, magnesium sulfate and magnesium chloride were used to investigate the significant role played on carbonate minerals. In this study, Staphylococcus epidermidis Y2 was isolated and identified by 16S rDNA homology comparison. The ammonia, pH, carbonic anhydrase, carbonate and bicarbonate ions were investigated. The mineral phase, morphology and elemental composition were analyzed by XRD and SEM-EDS. The ultrathin slices of bacteria were analyzed by HRTEM-SAED and STEM. The result showed that this bacterium could release ammonia and carbonic anhydrase to increase pH, and elevate the supersaturation via a large number of carbonate and bicarbonate ions released through carbon dioxide hydration catalyzed by carbonic anhydrase. The crystal cell density of monohydrocalcite was lower in magnesium chloride medium than that in magnesium sulfate medium. The crystal grew in a mode of spiral staircas in magnesium sulfate medium, while in a concentric circular pattern in magnesium chloride medium. There was no obvious intracellular biomineralization. This study may be helpful to further understand the biomineralization mechanism, may also provide some references for the reconstruction of paleogeological environment.

The extended finite element method (XFEM) is now widely used in crack simulations and the direction of propagation of the XFEM crack in SS-304 has been quite interesting. This paper discusses the direction,θ(+ve in anti-clockwise direction), of the XFEM crack (under mode-I) propagation based on the von Mises stress-field around the crack-tip for static loading under the light water reactors (LWRs) conditions. The Mises core region from the crack-tip is chosen for β=〖90〗^o, the angle between the load and the initial crack. Experimental data for LWRs’environment is obtained and the simulations have been carried out applying three different static loads and results for the direction of the crack are calculated by measuring the stress-field around the crack-tip. It has been found that the direction of the XFEM varies inversely as the stress-field around the crack tip is increased. The computational results have been compared with the numerical results based on the minimum strain energy density criterion[S-criterion].

Animal models of Alzheimer’s disease amyloidosis that recapitulate cerebral amyloid-beta pathology have been widely used in preclinical research, and have greatly enabled the mechanistic understanding of Alzheimer’s disease and the development of therapeutics. Comprehensive deep phenotyping of the pathophysiological and biochemical features in these animal models are essential. Recent advances in positron emission tomography have allowed the non-invasive visualization of the alterations in the brain of animal models as well as in patients with Alzheimer’s disease, These tools have facilitated our understanding of disease mechanisms, and provided longitudinal monitoring of treatment effect in animal models of Alzheimer’s disease amyloidosis. In this review, we focus on recent positron emission tomography studies of cerebral amyloid-beta accumulation, hypoglucose metabolism, synaptic and neurotransmitter receptor deficits (cholinergic and glutamatergic system), blood-brain barrier impairment and neuroinflammation (microgliosis and astrocytosis) in animal models of Alzheimer’s disease amyloidosis. We further propose the emerging targets and tracers for reflecting the pathophysiological changes, and discuss outstanding challenges in disease animal models and future outlook in on-chip characterization of imaging biomarkers towards clinical translation.

Insulin-like growth factor binding proteins (IGFBPs) are critical modulators of the metabolism. In adults, IGFBPs are associated with obesity and insulin resistance but the association of IGFBPs with metabolic homeostasis in children and adolescents is not fully characterized. In this study we investigated the association of plasma IGFBPs (IGFBP-1, 3 and 7) with weight status, central adiposity and cardiovascular disease markers Hs-CRP and Ox-LDL. A total of 420 adolescents (age 11-14 years) were randomly recruited from public middle schools in Kuwait. IGFBPs were measured using bead-based multiplexing while Hs-CRP and Ox-LDL were measured using ELISA. IGFBP-1 levels were significantly lower in obese and overweight participants compared to normal weight children. Only IGFBP-1 was negatively associated with waist circumference to height (WC/Ht) ratio. IGFBP-1 was negatively correlated with Hs-CRP while IGFBP-3 and IGFBP-7 were negatively correlated with Ox-LDL. These data demonstrate a robust negative association of IGFBP-1, but not IGFBP-3 or -7, with overweight and obesity, and the inflammation marker Hs-CRP. Central adiposity (WC/Ht ratio) was a stronger predictor of IGFBP-1 than BMI-for-age z-score. IGFBP-1 could thus be used as a sensitive predictive diagnostic tool for obesity and its subsequent effects in screening and monitoring of obesity-related metabolic complications in adolescents.

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.

Phenol is added to acetophenone (methyl phenyl ketone) and to six of its halogenated derivatives in a supersonic jet expansion to determine the hydrogen bonding preference of the cold and isolated 1:1 complexes by linear infrared spectroscopy. Halogenation is found to have a pronounced effect on the docking site in this intermolecular ketone balance experiment. The spectra unambiguously decide between competing variants of phenyl group stacking due to their differences in hydrogen bond strength. Structures where the phenyl group interaction strongly distorts the hydrogen bond are more difficult to quantify in the experiment. For unsubstituted acetophenone, phenol clearly prefers the methyl side despite a predicted sub-kJ/mol advantage which is nearly independent of zero point vibrational energy, turning this complex into a challenging benchmark system for electronic structure methods which include long range dispersion interactions in some way.

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.

Real-time evolution of the electron densities under excitations in La₂CuO₄ was calculated by the time-dependent density functional theory (TDDFT). The author found, for the first time, under excitations, the electron cloud of Cu²⁺ changes obviously and the characteristic frequencies are 83 meV and 36 meV, respectively, for two different modes. The results are unexpected and close to that of lattice vibrations. The results show that the electron cloud of Cu²⁺ (just like the lattice) can be the electron-pairing medium in high temperature copper oxide superconductors.

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.

With reference to Planck scale, Mach’s relation, increasing support for large scale cosmic anisotropy and preferred directions and by introducing two new parameters Gamma and Beta, right from the beginning of Planck scale, we make an attempt to estimate ordinary matter density ratio, dark matter density ratio, mass, radius, temperature, age and expansion velocity (from and about the baby universe in all directions). We would like suggest that, from the beginning of Planck scale, 1) Dark matter can be considered as a kind of cosmic foam responsible for formation of galaxies. 2) Cosmic angular velocity is directly proportional to squared cosmic temperature. 3) Ratio of critical temperature to actual temperature plays a heuristic role in understanding ordinary and dark matter density ratios. 4) Cosmic expansion velocity increases with decreasing total matter density ratio. 5) There is no need to consider dark energy for understanding cosmic acceleration.

Tropical forests harbor complex communities that are linked together by biotic relationships. Asian forests in particular have lost many apex predators due to habitat loss. We studied a small forest patch in northeastern Bangladesh, Satchari National Park, to determine density and diversity of nocturnal mammals and evaluate their relationships. Transects were walked from February 2015 to July 2016 and density was estimated using distance sampling. Nine species of mammals (5 arboreal and 4 ground-dwelling) were encountered. Densities of the common palm civets, Paradoxurus hermaphrodites, Bengal slow loris, Nycticebus bengalensis, were the highest (19.48 and 15.03 individuals/km2). Density of small Indian civets, large Indian civets and Indian mongoose were lower (2.31-5.55 individuals/km2). Unexpectedly, a wide range of nocturnal mammals co-existed in this forest patch, in spite of fragmentation and severe disturbance. We did not find any significant association between any of the species studied, although this could be an artifact of low sample size. Conservation in Bangladesh remains a challenge due to high human population density. Thus, strict conservation measures are needed to permit the long-term survival of these species.

The quality of dietary patterns can be optimized using a mathematical technique known as linear programming (LP). LP methods have rarely been applied to individual meals. The present LP models optimized the breakfast meal for those participants in the nationally representative National Health and Nutrition Examination Survey 2011-2014 who ate breakfast (n=11,565). The Nutrient Rich Food Index (NRF9.3) was a measure of diet quality. Breakfasts in the bottom tertile of NRF9.3 scores (T1) were LP-modeled to meet nutrient requirements without deviating too much from current eating habits. Separate LP models were run for children and for adults. The LP-modeled breakfasts resembled the existing ones in the top tertile of NRF9.3 scores (T3), but were more nutrient-rich. Favoring fruit, cereals, and dairy, the LP-modeled breakfasts had less meat, added sugars and fats but more whole fruit and 100% juices, more whole grains, and more milk and yogurt. LP modeling methods can build on existing dietary patterns to construct food-based dietary guidelines and identify individual meals and/or snacks that need improvement.

The dislocation density tensors of thin elastic shells have been formulated explicitly in terms of the Riemann curvature tensor. The formulation reveals that the dislocation density of the shells is proportional to KA3=2, where K is the Gauss curvature and A is the determinant of metric tensor of the middle surface.

It was demonstrated during the past decade that ultra-short intense laser pulse tightly focused deep inside a transparent dielectric generates the energy density in excess of several MJ/cm$^3$. Such energy concentration with extremely high heating and quenching rates leads to unusual solid-plasma-solid transformation paths overcoming kinetic barriers to formation of previously unknown high-pressure material phases, which are preserved in the surrounding pristine crystal. These results were obtained with the pulse of Gaussian shape in space and in time. Recently it was shown that the Bessel-shaped pulse could transform much larger amount of a material and allegedly create even higher energy density than that was achieved with the Gaussian (GB) pulses. Here we present a succinct review of previous results and discuss the possible routes for achieving higher energy density employing the Bessel beams (BB) and take advantage of its unique properties.

Enhancing the degree of functional multiplexing while assuring operational reliability and manufacturability at competitive costs are crucial ingredients for enabling comprehensive sample-to-answer automation, e.g., for use in common, decentralized “Point-of-Care” or “Point-of-Use” scenarios. This paper demonstrates a model-based ‘digital twin’ approach which efficiently supports the algorithmic design optimization of exemplary centrifugo-pneumatic (CP) dissolvable-film (DF) siphon valves towards larger-scale integration (LSI) of well-established “Lab-on-a-Disc” (LoaD) systems. Obviously, the spatial footprint of the valves and their upstream laboratory unit operations (LUOs) have to fit, at a given radial position prescribed by its occurrence in the assay protocol, into the locally accessible disc space. At the same time, the retention rate of a rotationally actuated CP-DF siphon valve and, most challenging, its band width related to unavoidable tolerances of experimental input parameters, need to slot into a defined interval of the practically allowed frequency envelope. To accomplish particular design goals, a set of parametrized metrics is defined, which are to be met within their practical boundaries while (numerically) minimizing the band width in the frequency domain. While each LSI scenario needs to be addressed individually on the basis of the digital twin, a suite of qualitative design rules and instructive showcases structures are presented.

Astragalus bone is one of the most important fossil records as it can reconstruct the prehistoric life. Respectively, this study aims to model the body mass, habitat preference, and population density of prehistoric bovid Duboisia santeng (Dubois 1891) in eastern Java island in the early Pleistocene. The astragali from 9 specimens were used to estimate the body mass and population density. Likewise regression models are used to analyze the relationship between astragalus lateral length, width, and body mass compared to the astragalus of extant Bovid species. The result revealed the body mass average was 60.3 kg (95%CI: 58.9-61.7) and this indicates the D. santeng belongs to large herbivores. While the population density was estimated at about 5.39 individuals per km2 (95% CI: 3.18-7.6).

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.

Maize (Zea mays L.) production in West and Central Africa is constrained by drought, low soil-N and Striga infestation. Breeders in the region have developed and commercialized extra-early and early-maturing hybrids (E-EH and EH), which combine high yield potentials with tolerance/resistance to the three stresses. Hybrids of both maturity groups are new to the farmers; thus, the urgent need to recommend appropriate agronomic practices for these hybrids. We investigated the responses of four hybrids belonging to extra-early and early-maturity groups to plant density (PD) and nitrogen (N) application in five agroecologies. The EHs consistently out-yielded the E-EHs in all the five agroecologies. The hybrids showed no response to N-fertilizer application above 90 kg ha-1. All interactions involving N had no significant effect on all traits except in few cases. The E-EHs and EHs had similar response to PD; their grain yield decreased as PD increased. Contrarily, flowering was delayed and expression of some other agronomic traits such as plant and ear aspects became poorer with increased PD. Optimal yield was obtained at approximately 90 kg N ha-1 and 66,666 plants ha-1. Most of the measured traits indicated high repeatability estimates (i.e. ≥ 60) across the N levels, PDs and environments. Evidently, the hybrids were intolerant of high PD.

This study investigated the evolution of density, gas permeability and thermal conductivity of sugar maple wood during the thermo-hygro-mechanical densification process. The results suggested that the oven-dry average density of densified samples was significantly higher than that of the control samples. However, the oven-dry density did not show a linear increase with the decrease of wood samples thickness. The radial intrinsic gas permeability of the control samples was 5 to 40 times higher than that of densified samples, which indicated that the void volume of wood was reduced notably after the densification process. The thermal conductivity increased by 0.5 - 1.5% per percent increase of moisture content for densified samples. The thermal conductivity of densified wood was lower than that of the control samples. The densification time had significant effects on the oven-dry density and gas permeability. Both the densification time and the moisture content had significant effects on thermal conductivity, but their interaction effect was not significant.

Development and engineering of protein crystals regarding mechanical stability and crystallizability occurs on a small scale. Later in the process chain of industrial production however, filtration properties are important to separate the crystals from mother liquor. Many protein crystals are sensitive to mechanical stress which is why it is important to know the filtration behavior early on. In this study we analyze settling and filtration behavior of isometric, rod-like and needle shaped lysozyme and rod-like alcohol dehydrogenase (ADH) crystals on a small scale using an optical analytical centrifuge. Needle shaped lysozyme and rod-like ADH crystals show compressible material behavior. With the results from settling and filtration experiments the flux density function is calculated and modeled which can be used to describe the whole settling and permeation process in dependency of the solids volume fraction. This is also an issue for simulations of industrial processes.

With reference to Planck scale, Mach's relation and by introducing two new parameters Gamma and Beta, right from the beginning of Planck scale, we make an attempt to estimate ordinary matter density ratio, dark matter density ratio, mass, radius, temperature, age and expansion velocity (from and about the Planck mass in all directions). In analogy with currently believed cosmic acceleration, with a decreasing trend of total matter density ratio, cosmic expansion velocity can be shown to be increasing. By considering $H_0\cong 70$ km/sec/Mpc, estimated current cosmic mass, radius, total matter density, expansion velocity, temperature and age are: $4.3352\times {10}^{53}\mathrm{kg},$ $3.207\times {10}^{26}\mathrm{m},$ $3.138\times {10}^{-27}\mathrm{kg}{.\mathrm{m}}^{-3},$ $2.43c,$ $2.721\mathrm{K}$ and $19.78\mathrm{Billion}\mathrm{years}$ respectively. Point to be noted is that, with reference to Planck scale, cosmic temperature seems to be redshifted by a factor ${\left(Z_T\right)}_t\cong \sqrt{1+\ln \left(H_{pl}/H_t\right)}-1$ where $\left(H_{pl},H_t\right)$ represent Planck scale and time dependent Hubble parameters respectively. As a peculiar case, considering the equality of current Hubble parameter and current angular velocity, current cosmic rotational kinetic energy can be estimated to be 0.667 times the current critical energy. It needs further study.

This paper describes the packaging models that are fundamental for the design of ultra-high-performance concrete (UHPC), and their evolution. They are divided into two large groups: continuous and discrete models. The latter are those that provide the best answer in obtaining an adequate simulation of the packing of the particles up to nanometric size. This includes the interaction among the particles by means of loosening and wall coefficients, allowing a simulation of the virtual and real compactness of such particles. In addition, a relationship between virtual and real compactness is obtained, through the compaction index, which may simulate the energy of compaction that the particles undergo in their placement in the mold. The use of last-generation additives allows such models to be implemented with water-cement (w/c) ratios close to 0.18. However, the premise of maximum packing as a basic pillar for the production of UHPC should not be the only one. The cement hydration process affected by nanoadditions and the ensuing effectiveness in the properties in both fresh and hardened state according to the respective percentages in the mixture should also be studied. An adequate ratio and proportion of these additions may lead to an obtaining of better results even with lower levels of compactness.

Learning disorders (LD) are diagnosed in children whose academic skills of reading, writing or mathematics are impaired and lagged according to their age, schooling and intelligence. Children with LD experience substantial working memory (WM) deficits, even more pronounced if more than one of the academic skills is affected. We compared the task-related EEG power spectral density of children with LD (n= 23), with a control group of children with good academic achievement (n= 22), during the performance of a WM task. sLoreta was used to estimate the current distribution at the sources, and 18 brain regions of interests (ROIs) were chosen with an extended version of the eigenvector centrality mapping technique. In this way, we lessen some drawbacks of the traditional EEG at the sensor space by an analysis at the brain sources level over data-driven selected ROIs. Results: The LD group showed fewer correct responses at the WM task, an overall slower EEG with more theta activity in all ROIs, less upper-alpha power at posterior areas, and less high-frequency beta activity in frontal areas. We explain these EEG patterns in LD children as indices of an inefficient neural resource management related with a delay in the neural development.

Understanding the ionic channel network of proton exchange membranes, which dictate fuel cell performance, is crucial when developing proton exchange membrane fuel cells. However, itis difficult to characterize due to complicated nano structure and differing changes to their structure with different amounts of water uptake. Electrostatic force microscopy (EFM) can map surface charge distribution as nano special resolution by measuring the electrostatic force between a vibrating conductive tip and a charged surface under an applied voltage, . In this study, the ionic channel network of a proton exchange membrane is analyzed using EFM. A mathematical approximation model of the ionic channel network is first derived, to explain changes in force gradient on the surface using EFM. The phase lag of dry and wet Nafion under stepwise changes to bias voltage is then measured. Based on the model, variations in the ionic channel network of Nafion with different amounts of water uptake are analyzed numerically. The mean surface charge density of both membranes, which is connected with the ionic channel network, is calculated using the model. The results show that the difference between the mean surface charge of the dry and wet membranes is consistent with the variation in their proton conductivity.

Fundamental principles of classical (Newtonian) physics are employed to probe the cosmological lambda Λ; it yields the values ρ_vac = 2.61 x 10^-39 g cm^-3 and Λ = 4.87 x 10^-66 cm^-2. It is revealed that Λ is a fundamental physical constant defined by vacuum density-light speed ρ_vacc² correlation. However, the constant accelerates along the groups and periods of a universal spatial periodicity equivalent to the chemical periodicity. Previous results are cited to show that chemical elements are quantum harmonic (periodic) oscillators QHOs and their waveform oscillations exclusively define the vacuum field. The cosmological periodic unit CPU is introduced, it relies on the cosmological principle to argue that a relative physical quantity evaluated for the QHO applies to constituents of corresponding cosmological spatial quanta. Compelling evidences, backed with relevant data and quantitative expressions, are then presented to argue that: there was never a big bang, it is a Linde-universe sans “chaotic”; nature posts no singularity; mass does not curve spacetime, neither does metric space curvature trace directly to gravitation nor particle creation, gravity is classical, not quantum; reality is quadri-phasic not mono-phasic with a clear distinction between the atomic waveform defined with absolute atomic mass and condensed matter defined with relative atomic mass; every chemical element exists in three particle-generations thus, dark matter is invisible form (conjugate) of the visible element, its waveform manifests dark energy, it is not implicated in metric space expansion; Planck scale does not exist, radioactivity constrains fundamental length to atomic radius of the heaviest element.

The objective of this study was to determine the association of physiological responses and root distribution patterns on yield of the second ratoon cane and the relationships among these traits. Seventeen sugarcane genotypes were planted in a randomized complete block design with four replications. The second ratoon crop was evaluated for germination percentage, cane yield, SPAD chlorophyll meter reading (SCMR), chlorophyll fluorescence, relative water content (RWC), specific leaf area (SLA) and stomatal conductance. Root length density (RLD) was evaluated by auger method. The root samples were divided into upper soil layer and lowers soil layers to study root distribution patterns. Sugarcane genotypes were significantly different for RLD, germination percentage and cane yield. Root distribution patterns were classified into three groups based on the RLD. High RLD between plants in the upper soil layers at 90 DAH was positively correlated with high germination, whereas high RLD between rows in the lower soil layers at 90 and 270 DAH was associated with high cane yield. RWC at 90 DAH and stomatal conductance at 180 DAH were closely related to germination percentage, whereas chlorophyll fluorescence and stomatal conductance at 180 DAH were closely related to cane yield.

Nicotine is a pharmacologically active component of tobacco which adversely affects the male reproductive system and fertility and Icariin (ICA) is the main active ingredient of Epimedium herba which has been used to treat several male reproductive problems. This study was aimed at investigating the protective or ameliorative effect of ICA against reproductive toxicity induced by intraperitoneal injection of nicotine in mice. Forty male mice were randomly divided into 4 groups: control, nicotine (0.75 mg/kg intraperitoneally), icariin (ICA, 75 mg/kg), and icariin plus nicotine (ICA + nicotine) group. After 35 days of treatment, the mice were weighed, sacrificed, and their reproductive organs were collected and examined for further studies. In the nicotine-treated group, epididymal sperm density and serum testosterone concentrations significantly decreased relative to the control group. Nicotine also caused oxidative damage as shown by significant reduction in the activities of antioxidant enzymes and an elevation in Malondialdehyde (MDA) levels. Icariin on the other hand, improved the reduction in sperm characteristics, hormone levels, and activities of antioxidant enzymes alterations observed in the nicotine treated mice. These findings indicate that the nicotine-induced reproductive toxicity and oxidative damages on male reproductive tissues can be effectively attenuated by icariin.

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

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

The regioselectivity in non-polar [3+2] cycloaddition (32CA) reactions has been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6-311G(d,p) level. To this end, the 32CA reactions of nine simplest three-atom-components (TACs) with 2-methylpropane were selected. The electronic structure of the reagents has been characterised through the Electron Localisation Function (ELF) and the Conceptual DFT. The energy profiles of the two regioisomeric reaction paths and ELF of the transition state structures are studied to understand the origin of the regioselectivity in these 32CA reactions. This MEDT study permits to conclude that the least electronegative ends X1 atom of these TACs controls the asynchronicity in the C-X (X = C,N,O) single bond formation, and consequently, the regioselectivity. This behaviour is a consequence of the fact that the creation of the non-bonding electron density required for the formation of the new CX single bonds has a lesser energetic cost at the least electronegative X1 atom than that at the Z3 one.

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.

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

The world is moving to the next phase of the energy transition with high penetrations of renewable energy. Flexible and scalable redox flow battery (RFB) technology is expected to play an important role in ensuring electricity network security and reliability. Continuous performance improvements will further enhance their value by reducing parasitic losses and maximizing available energy conversion over broader operating conditions. Concentration overpotentials from poor internal reactant distribution at high and low states of charge (SOC) limit power densities and are thus an important area of investigation. However, efforts to address these coupled electrochemical phenomena can compromise mechanical performance. Modelling and simulation of cell design innovations have shown it is possible to reduce losses from pump energy while increasing the availability of active species where required. The combination of wedge-shaped cells with static mixers investigated in this paper can reduce pressure drop and improve energy efficiency. Toroidal vanadium redox flow battery (VRB/VRFB) designs incorporating this innovation are presented for further development to improve community engagement with the technology.

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.

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.

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”.

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.

Knowledge about the formation energies of compounds is essential to derive phase diagrams of multi-component phases with respect to elemental reservoirs. The determination of formation energies using common (semi-)local exchange-correlation approximations of density functional theory (DFT) exhibits well-known systematic errors if applied to oxide compounds containing transition metal elements. In this work, we generalize, reevaluate and discuss a set of approaches proposed and widely applied in the literature to correct for errors arising from the over-binding of the O2 molecule and from correlation effects of electrons in localized transition-metal orbitals. The DFT+U method is exemplarily applied to iron oxide compounds, and a procedure is presented to obtain U values, which lead to formation energies and electronic band gaps comparable to experimental values. Using such corrected formation energies, we derive the phase diagrams for LaFeO3, Li5FeO4 and NaFeO2, which are promising materials for energy conversion and storage devices. A scheme is presented to transform the variables of the phase diagrams from the chemical potentials of elemental phases to those of precursor compounds of a solid-state reaction, which represents the experimental synthesis process more appropriately. The discussed workflow of methods can directly be applied to other transition metal oxides.

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.

In mega cities such as Seoul in South Korea, it is very important to protect the city from the flooding even for the short time of period due to the enormous amount of economic damage. In impervious area of the city, stormwater pipe network is commonly applied to discharge rainfall to the outside of catchment. Therefore, the stormwater pipe network in urban catchment should be carefully designed to discharge the runoff quickly and efficiently. In this study, different types of structures in stormwater pipe network were evaluated using the relationship between the peaks rainfall and runoff in urban catchments in South Korea. More than 400 historical rainfall events were applied in five urban catchments to estimate peak runoff from different type of network structures. Linear regression analysis was implemented to estimate peak runoffs. The coefficient of determination of the regressions were higher than 0.9 which means the regression model represent very well the relationship between the two peaks. However, the variation of the prediction becomes large as the peak rainfall increases and the variation become even larger when the network structure is branched. Therefore, it depends on the structure of stormwater pipe network. When the water paths in the pipe network is unique (branched network), the increased amount of rainfall is congested around the rainwater inlets and the uncertainty of peak runoff prediction is increased. If there are many possible water paths depending on the amount of discharge (looped network), the increased rainfall is discharged more quickly through the many water paths. This can be a way to represent the reliability of the stormwater pipe network. The structures of stormwater pipe network is evaluated using drainage density which is the length of pipes over the unit catchment area and 95% confidence interval. As a result, the 95% confidence interval is increased as the drainage density is increased because the accuracy of peak runoff prediction is decreased. As mentioned earlier, because the looped networks have many alternative water flowing paths, elimination time of rainfall from the catchments become short, the 95% confidence interval become narrow, and the reliability of peak runoff prediction become high. Therefore, it is beneficial to install looped stormwater pipe network within the affordable budget. It is important factor to determine the amount of complexity in stormwater pipe network to decrease the risk of urban flooding.

In the current manuscript we assess to what extent X-ray photoelectron spectroscopy is a suitable tool for probing the dipoles formed at interfaces between self-assembled monolayers and metal substrates. To that aim, we perform dispersion-corrected, slab-type band-structure calculations on a number of biphenyl-based systems bonded to a Au(111) surface via different docking groups. In addition to changing the docking chemistry (and the associated interface dipoles), also the impacts of polar tail-group substituents and varying dipole densities are investigated. We find that for densely-packed monolayers the shifts of the peak positions of the simulated XP-spectra are a direct measure for the interface dipoles. In the absence of polar tail-group substituents they also directly correlate with adsorption-induced work-function changes. At reduced dipole-densities this correlation deteriorates, as work function measurements probe the difference between the Fermi-level of the substrate and the electrostatic energy far above the interface, while core level shifts are determined by the local electrostatic energy in the region of the atom from which the photoelectron is excited.

By means of density functional theory (DFT) calculations, we have investigated the effect of hydrostatic pressure on the structural, electronic and elastic properties of the barium-doped silicon clathrate Ba8Si46 in the type-VIII structure (α phase). Physical properties are calculated under different conditions of pressure (0 GPa to 45 GPa) using the GGA-PBE functional, those calculations have been performed using the Cambridge serial total energy package CASTEP code within the Materials Studio package. Electronic properties have shown that the type-VIII Ba8Si46 has metal-like properties with a fundamental bandgap of 1 eV. Under pressure the fundamental bandgap increases slightly and the positions of the valence band maximum VBM and the conduction band minimum CBM remain unchanged. We found that the compound is mechanically stable under the pressure range, but this needs to be confirmed experimentally through synthesis, a comparison with the type-I and the guest-free counterparts has exhibited promising features for the type-VIII Ba8Si46.

Powder bed fusion (PBF) process is a metal additive manufacturing process which can build parts with any complexity from a wide range of metallic materials. PBF process research has predominantly focused on the impact of only a few parameters on product properties due to the lack of a systematic approach for optimizing a large set of process parameters simultaneously. The pivotal challenges regarding this process require a quantitative approach for mapping the material properties and process parameters onto the ultimate quality; this will then enable the optimization of those parameters. In this study, we propose a two-phase framework for optimizing the process parameters and developing a predictive model for 316L stainless steel material. We also discuss the correlation between process parameters -- i.e., laser specifications -- and mechanical properties and how to achieve parts with high density (> 98%) as well as better ultimate mechanical properties. In this paper, we introduce and test an innovative approach for developing AM predictive models, with a relatively low error percentage of 10.236% that are used to optimize process parameters in accordance with user or manufacturer requirements. These models use support vector regression, random forest regression, and neural network techniques. It is shown that the intelligent selection of process parameters using these models can achieve an optimized density of up to 99.31% with uniform microstructure, which improves hardness, impact strength, and other mechanical properties.

MXenes are two-dimensional nanomaterials isolated from MAX phases by the selective extraction of the A component —a p-block element. The MAX phase exfoliation energy, Eexf, is regarded as a chemical descriptor of the MXene synthesizability. Here we show, by density functional theory estimations of the Eexf values for 486 different MAX phases, that Eexf decreases i) when MAX is a nitride, ii) when going along a d series of the metal M component, iii) when going down a group of the p-block A element, as well as iv) when having thicker MXene phases. Furthermore, Eexf is found to bias, even to govern, the surface chemical activity, as evaluated here on the CO2 adsorption strength, so that more unstable MXenes, displaying larger Eexf values, display a stronger attachment of species upon.

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.

This study introduces a remote sensing application using satellite imagery to survey a network-scale aggregate stockpile inventory. First, a real scale aggregate quarry site was surveyed using a small Unmanned Aerial Vehicle (sUAV) to produce digital terrain models that enabled analysis of aggregate pile geometry. Second, a lab experiment was designed and performed to validate the applicability of close-range Structure from Motion (SfM) photogrammetry for measuring aggregate piles' physical properties such as volume and density. The other part of the lab experiment delved into direct measurement of aggregate density under varying compaction efforts. These experimental results, in conjunction with some simplifying assumptions, enabled the calculation of aggregate stockpile volumes and estimated weights from satellite imagery. We estimated that an inventory of 4.4 and 1.1 million metric tons of crushed aggregates and Reclaimed Asphalt Pavement (RAP), respectively, stockpiled in Washington State for asphalt production in 2017. The merit of producing such database was further showcased in an example on the economic and environmental impacts of material transportation. We approximated that hauling aggregates from quarry plants to construction sites within Washington State incurs a cost of about $50 thousand to over $4 million, consumes about 0.25 to 20 TJ of energy, and emits 20 to over 1,500 tons of CO₂-eq per asphalt plant annually.

The intramolecular ionic Diel-Alder (IIDA) reactions of two dieniminiums have been studied within the Molecular Electron Density Theory (MEDT) at the B97XD/6-311G(d,p) computational level. ELF topological analysis of dieniminiums shows that its electronic structure can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic character of dieniminiums accounts for the high intramolecular global electron density transfer taking place between the diene and iminium frameworks at the transition state structures (TSs) of these IIDA reactions. The activation enthalpy associated to the IIDA reaction of the experimental dieniminium, 8.7 kcal·mol-1, is closer to that of the ionic Diels-Alder (I-DA) reaction between butadiene and ethaniminium, 9.3 kcal·mol-1. However, the activation Gibbs free energy of the IIDA reaction is 12.7 kcal·mol-1 lower than that of the intermolecular I-DA reaction. The strong exergonic character of the IIDA reaction, higher than 17 kcal·mol-1, makes the reaction irreversible. These IIDA reactions present a total re/exo and si/endo diastereoselectivity, which is controlled by the most favourable chair conformation of the tetramethylene chain. Electron localization function (ELF) topological analysis of the single bond formation indicates that these IIDA reactions take place through a non-concerted two-stage one-step mechanism. Finally, ELF and atoms-in-molecules (AIM) topological analyses of the TS associated to inter and intramolecular processes show the great similitude among them.

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.

As in any other plant, in the grapevine roots play a vital role in terms of anchorage, uptake of water and nutrients, as well as storage and production of chemicals. Their behaviour and development depend on various factors, namely rootstock genetics, soil physical and chemical features, field agronomic practices. Canopy management, involving techniques such as defoliation and pruning, could greatly influence root growth. To date, most of the studies on grapevine winter pruning have focused on the effects on yield and quality of grapes, achievable by using different pruning systems and techniques, while the knowledge of root distribution, development, and growth in relation to winter pruning is still not well understood. In this contest, the purpose of this study was to investigate the effect of winter pruning on the root system of field-grown Vitis vinifera cv. Pinot Gris grafted onto rootstock SO4. We compared two pruning treatments (pruning-P and no pruning-NP) and analysed the effect on root distribution and density, root index and on the root sugar reserves. Root data were analysed in relation to canopy growth and yield, to elucidate the effect of winter pruning on the root/yield ratio. Our data indicated that winter pruning stimulated the root growth and distribution without compromising canopy development, while no-pruning treatment produced less growth of roots but a larger canopy. Information regarding root growth and root canopy ratio is important as it gives us an understanding of the relationship between the aerial and subterranean parts of the plant, how they compete, and finally, offers us the possibility to ponder on cultural practices.

Significant progress has made in pattern recognition technology. However, one obstacle that has not yet overcome is the recognition of words in the Brahmi script, specifically the recognition of characters, compound characters, and word because of complex structure. For this kind of complex pattern recognition problem, it is always difficult to decide which feature extraction and classifier would be the best choice. Moreover, it is also true that different feature extraction and classifiers offer complementary information about the patterns to be classified. Therefore, combining feature extraction and classifiers, in an intelligent way, can be beneficial compared to using any single feature extraction. This study proposed the combination of HOG +zonal density with SVM to recognize the Brahmi words. Keeping these facts in mind, in this paper, information provided by structural and statistical based features are combined using SVM classifier for script recognition (word-level) purpose from the Brahmi words images. Brahmi word dataset contains 6,475 and 536 images of Brahmi words of 170 classes for the training and testing, respectively, and the database is made freely available. The word samples from the mentioned database are classified based on the confidence scores provided by support vector machine (SVM) classifier while HOG and zonal density use to extract the features of Brahmi words. Maximum accuracy suggested by system is 95.17% which is better than previously suggested studies.

Background Although high-density lipoprotein has cardioprotective effects, the association between serum high-density lipoprotein cholesterol (HDL-C) and hypertension is poorly understood. Objective We investigated whether low and high concentrations of HDL-C are associated with hypertension using a large healthcare dataset. Methods In a community-based cross-sectional study of 1,493,152 Japanese people aged 40–74 years who underwent a health checkup, blood pressures and clinical parameters, including nine HDL-C concentrations (20–110 mg/dL or over) were investigated. Results A crude U-shaped relationship was observed between the nine HDL-C concentrations and blood pressure in males (n = 830,669), while a left-to-right inverted J-shaped relationship was observed in females(n = 662,483). An age-adjusted logistic regression analysis showed J-shaped relationships (left-to-right inversion in females) between HDL-C and odds ratios for hypertension (≥140/90 mmHg), with lower limits of 60–79 mg/dL in males and 90–99 mg/dL in females, which were unchanged after adjusting for smoking, habitual exercise, alcohol consumption, and pharmacotherapy for hypertension, dyslipidemia, and diabetes. However, further adjustment for body mass index and serum triglyceride concentration revealed latent positive linear associations between HDL-C and hypertension, although the association between extremely high HDL-C (≥100 mg/dL) and hypertension was attenuated in non-alcohol drinkers. Conclusion Both low and extremely high HDL-C concentrations are associated with hypertension. The former association may be dependent on excess fat mass, which is often concomitant with low HDL-C, whereas the latter association may be dependent on frequent alcohol consumption.

In thermal friction drilling (TFD) operations, the geometrical dimensions of bushing shape, height and wall thickness are the most vital consequences, due to increasing the connecting length and strength. In this paper, AA7075-T651 aluminum alloys with 2, 4, 6, 8, and 10 mm in thicknesses were drilled with TFD process in order to investigate the density, the volume ratio, and height and wall thickness of the bushings. The experiments were conducted at constant spindle speed and feed rate conditions by using HSS conical tools of 5, 10, 15, and 20 mm in diameters. It was experimentally found that the bushing height and the wall thickness were tendency of increase linearly with increasing both material thickness and tool diameter. The effect of tool diameter was found to have much of influence on the measured values than the thickness of the drilled material. The density of the bushing was changed inconsiderably. Approximately 70-75 % percentages of the evacuated material composed the bushing shape, in TFD operations.

This letter attempts to clarify an issue regarding the proper definition of plastic dislocation density tensor. This study shows that the Ortiz’s and Berdichevsky’s plastic dislocation density tensor are equivalent with each other, but not with Kondo’s one. To fix the problem, we propose a modified version of Kondo’s plastic dislocation density tensor.

This paper addresses the issues of how we can quantify structural information for nonparametric distributions and how we can detect its changes. Structural information refers to an index for a global understanding of a data distribution. When we consider the problem of clustering using a parametric model such as a Gaussian mixture model, the number of mixture components (clusters) can be thought of as structural information in the model. However, there does not exist any notion of structural information for nonparametric modeling of data. In this paper we introduce a novel notion of {\em kernel complexity} (KC) as structural information in the nonparametric setting. The key idea of KC is to combine the information bias inspired by the Gini index with the information quantity measured in terms of the normalized maximum likelihood (NML) code length. We empirically show that KC has a property similar to the number of clusters in a parametric model. We further propose a framework for structural change detection with KC in nonparametric distributions. With synthetic and real data sets we empirically demonstrate that our framework enables us to detect structural changes underlying the data and their early warning signals.

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

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

Synthetic chalcomenite-type cupric selenite CuSeO₃∙2H₂O has been studied at room temperature under compression up to pressures of 8 GPa by means of single-crystal X-ray diffraction, Raman spectroscopy, and density-functional theory. According to X-ray diffraction, the orthorhombic phase undergoes an isostructural phase transition at 4.0(5) GPa with the thermodynamic character being first-order. This conclusion is supported by Raman spectroscopy studies which have detected the phase transition at 4.5(2) GPa and by the first-principles computing simulations. The structure solution at different pressures has provided information on the change with pressure of unit-cell parameters as well as on the bond and polyhedral compressibility. A Birch-Murnaghan equation of state has been fitted to the unit-cell volume data. We found that chalcomenite is highly compressible with a bulk modulus of 42 – 49 GPa. The possible mechanism driving changes in the crystal structure is discussed, being the behavior of CuSeO₃∙2H₂O mainly dominated by the large compressibility of the coordination polyhedron of Cu. On top of that, an assignation of Raman modes is proposed based upon density-functional theory and the pressure dependence of Raman modes discussed. Finally, the pressure dependence of phonon frequencies is also reported.

The work is devoted to the investigation of virus quasispecies evolution and diversification due to mutations, competition for host cells, and cross-reactive immune responses. The model consists of a nonlocal reaction-diffusion equation for the virus density depending on the genotype considered as a continuous variable and on time. This equation contains two integral terms corresponding to the nonlocal effects of virus interaction with host cells and with immune cells. In the model, a virus strain is represented by a localized solution concentrated around some given genotype. Emergence of new strains corresponds to a periodic wave propagating in the space of genotypes. The conditions of appearance of such waves and their dynamics are described.

In view of the preparation for a post-LHC collider, the high-energy physics (HEP) community started from 2010 to discuss various options, including the use of HTS for very high field dipoles. Therefore, a small program was set in Europe aiming at exploring the possibility of using HTS for accelerator quality magnets. Based on various EU funded programs, though at modest levels, has enabled the European community of accelerator magnets to start getting experience in HTS and addressing a few issues. The program was based on use of REBCO tapes to form 10 kA Roebel cables, to be used to wind small dipoles of 30-40 mm aperture in the 5 T range. The dipoles are designed to be later inserted in a background dipole field (in Nb3Sn), to reach eventually a field level in the 16-20 T range, beyond the reach of LTS. The program is currently underway: more than 1 km tape of high performance (Je &gt; 500 A/mm2 at 20 T, 4.2 K has been manufactured and characterized, various 30 m long Roebel cables have been assembled and validated up to 13 kA, a few dipoles have been wound and tested, reaching at present 4.5 T in stand-alone (while a dipole made from race track coils with no-bore exceeded 5 T using stacked tape cable) and a test in a background field is being organized.

The influence of distant London dispersion forces on the docking preference of alcohols of different size between the two lone electron pairs of the carbonyl group in pinacolone is explored by infrared spectroscopy of the OH stretching fundamental in supersonic jet expansions of 1:1 solvate complexes. Experimentally, no pronounced tendency of the alcohol to switch from the methyl to the bulkier tert-butyl side with increasing size is found. In all cases, methyl docking dominates by at least a factor of two, whereas DFT-optimized structures suggest a very close balance for the larger alcohols, once corrected by CCSD(T) relative electronic energies. Together with inconsistencies when switching from a C4 to a C5 alcohol, this points at deficiencies of the investigated B3LYP and in particular TPSS functionals even after dispersion correction, which cannot be blamed on zero point energy effects. The search for density functionals which describe the harmonic frequency shift, the structural change and the energy difference between the docking isomers of larger alcohols to unsymmetric ketones in a satisfactory way is open.

Cesiumtrifluoroacetate (CsTFA) is a key chemical for RNA-based stable isotope analyses to link the structure and function of microbial communities. We report a protocol to easily synthesize CsTFA from Cesiumcarbonate (Cs₂CO₃₎ and Trifluoroacetate (TFA) and show that self-synthesized CsTFA behaves similar to commercial CsTFA in the separation of isotopically labelled and unlabelled E. coli RNA.

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

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.

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

The main result of this work is the estimation of the entropy mode accompanying a wave disturbance, observed at the atmosphere heights range of 90-120km. The study is the direct continuation and development of recent results on diagnosis of the acoustic wave with the separation on direction of propagation. The estimation of the entropy mode contribution relies upon the measurements of the three dynamic variables (the temperature, density and vertical velocity perturbations) of the neutral atmosphere measured by the method of the resonant scattering of radio waves on the artificial periodic irregularities of the ionospheric plasma. The measurement of the atmosphere dynamic parameters has been carried out on the SURA heating facility. The mathematical foundation of the mode separation algorithm is based on the dynamic projecting operator technique. The operators are constructed via the eigenvectors of the coordinate evolution operator of the transformed system of balance equations of the hydro-thermodynamics.

We show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy axis and apply a matched filter on that axis. On the example of a nerve agent molecule, we show that this allows detecting a molecule by its vibrational spectrum even when the recorded spectrum is completely buried in noise, when conventional spectroscopic detection is impossible. Detection is predicted to be possible with signal-to-noise ratios in recorded spectra as low as 0.1. We study the importance of spectral range used for detection as well as of the quality of the computed spectrum used to program the filter, specifically, the role of anharmonicity, of the exchange correlation functional, and of the basis set. The use of the full spectral range rather than of a narrow spectral window with key vibrations is shown to be advantageous, as well as accounting for anharmonicity.

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

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.

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

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.

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

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