Miracle-dz/UniFAR-FTUs huggingface dataset:
Search for conformation of thiosemicarbazone reagents and their complexes with metals by using Monte Carlo and docking simulation

In this study, the conformation of ML2 complexes of new thiosemicarbazone reagents with metal cations Cd2+, Ni2+, Cu2+, Hg2+, Pb2+, Mn2+, and Zn2+ is investigated. The methods include MM+ and PM3 calculations with the Monte Carlo techniques using the Metropolis algorithm in the temperature range of 298–473 K. The initial selection conformation was carried out randomly after 15 repeated conformations, and 30 conformations were rejected. The conformations were chosen to change by changing the torsional-dihedral angles at the position of the metal cation associated with the donor atoms N and S of the thiosemicarbazone reagents. This was performed by randomly changing the dihedral angles to create new structures, and then the energy values of these angles were minimized with the PM3 and MM+ calculation. The lowest suitable energies were accumulated, while highor duplicate-energy structures were discarded. The docking method was also employed to screen the most suitable metal-thiosemicarbazone complexes that bind to the active site on the SARS-CoV-2 protein. The docking method enabled us to choose the molecular conformation of the most significant Cd2+thiosemicarbazone complex.
Influence of magnetic field on the wave propagation response of functionally graded (FG) beam lying on elastic foundation in thermal environment

In the current work, wave propagation in simply supported (S-S) functionally graded (FG) beam is investigated while the beam is exposed to magneto-thermal environments and embedded on two-parameter elastic foundation. The mechanical properties of the structure are supposed to vary through the thickness via the exponential and power law function. The governing equations of the motion are derived by implementing Hamilton’s principle on the basis of refined higher order beam theory which can capture the shear deformation effect. Two novel metal and ceramic with interesting properties named Osmium and Silicon Carbide (SiC) are used as materials of this structure. The thermal loadings are applied to the structure with various temperature changes namely uniform, linear and sinusoidal, through the thickness. Influences of the wide range of parameters such as magnetic field intensity, slenderness ratio, various thermal loadings, exponential- and power-law exponents and elastic foundation coefficient on the wave frequency and phase velocity of the FG beam have been illustrated comparatively and the results are thoroughly discussed to obtain the highlights of each figure.
Cyber Threats to Industrial IoT: A Survey on Attacks and Countermeasures

In today’s Industrial Internet of Things (IIoT) environment, where different systems interact with the physical world, the state proposed by the Industry 4.0 standards can lead to escalating vulnerabilities, especially when these systems receive data streams from multiple intermediaries, requiring multilevel security approaches, in addition to link encryption. At the same time taking into account the heterogeneity of the systems included in the IIoT ecosystem and the non-institutionalized interoperability in terms of hardware and software, serious issues arise as to how to secure these systems. In this framework, given that the protection of industrial equipment is a requirement inextricably linked to technological developments and the use of the IoT, it is important to identify the major vulnerabilities and the associated risks and threats and to suggest the most appropriate countermeasures. In this context, this study provides a description of the attacks against IIoT systems, as well as a thorough analysis of the solutions for these attacks, as they have been proposed in the most recent literature.
A Unifying Task Priority Approach for Autonomous Underwater Vehicles Integrating Homing and Docking Maneuvers

This research proposes a unified guidance and control framework for Autonomous Underwater Vehicles (AUVs) based on the task priority control approach, incorporating various behaviors such as path following, terrain following, obstacle avoidance, as well as homing and docking to stationary and moving stations. The integration of homing and docking maneuvers into the task priority framework is thus a novel contribution of this paper. This integration allows, for example, to execute homing maneuvers close to uneven seafloor or obstacles, ensuring the safety of the AUV, as safety tasks can be given the highest priority. Furthermore, another contribution shown in the paper is that the proposed approach tackles a wide range of scenarios without ad hoc solutions. Indeed, the proposed approach is well suited for both the emerging trend of resident AUVs, which stay underwater for a long period inside garage stations, exiting to perform inspection and maintenance missions and homing back to them, and for AUVs that are required to dock to moving stations such as surface vehicles, or towed docking stations. The proposed techniques are studied in a simulation setting, taking into account the rich number of aforementioned scenarios.
Characteristic mode analysis of harmonic suppressed stepped impedance strip dipole antenna

This paper presents the characteristic mode analysis of the harmonic suppressed stepped impedance strip dipole antenna. The proposed antenna is resonating at 2.4 GHz with the excellent suppression of higher harmonics. Characteristic mode analysis is effectively utilized to identify the radiating modes of the antenna. The prototype has been designed and fabricated on a single‐sided FR4 substrate of dielectric constant 4.4 and loss tangent 0.025. The antenna has an overall dimension of 0.36 λ0 × 0.096 λ0 × 0.0128 λ0, and the prototype is experimentally studied and validated with simulations. The impedance bandwidth of the antenna is from 2.18 to 2.77 GHz (24.58%), which covers WiMAX (2.5‐2.7 GHz), WLAN (2.4‐2.48 GHz), Bluetooth (2.4‐2.48 GHz), and LTE (2.18‐2.69 GHz). The measured peak gain and peak efficiency of the antenna are 1.75 dBi and 95%, respectively.
Unsupervised Learning Through Generalized Mixture Model

A generalized way of building mixture models using different distributions is explored in this article. The EM algorithm is used with some modifications to accommodate different distributions within the same model. The model uses any point estimate available for the respective distributions to estimate the mixture components and model parameters. The study is focused on the application of mixture models in unsupervised learning problems, especially cluster analysis. The convenience of building mixture models using the generalized approach is further emphasised by appropriate examples, exploiting the well-known maximum likelihood and Bayesian estimates of the parameters of the parent distributions.
A Cooperative Energy Management in a Virtual Energy Hub of an Electric Transportation System Powered by PV Generation and Energy Storage

Electric transport systems and renewable energy sources (RESs) have recently attracted significant interest, because of the limitations and drawbacks of fossil fuels and the growing demand for utilization of clean energy. Suitable paradigms are needed to manage the atypical and heterogeneous load of electric vehicles (EVs), the intermittent nature of RESs, and the changeability of electrical loads in power networks. The technical and commercial operation of an integrated system comprising an electric transportation system with a battery-powered bus [electric bus (eBus)] charging station and an EV parking lot, integrated with solar photovoltaic (PV) generation, and combined with a battery storage system (BSS), as a virtual energy hub (VEH) is proposed. Moreover, a cooperative decision-making (CDM) strategy is proposed for the VEH, where the active and reactive power flows and the economic operation of the VEH are scheduled using a novel three-stage cooperative control system. A supervisory control system is developed using agents to realize the scheduled CDM of the VEH and to assign the control parameters for the provision of ancillary services. The VEH agent can operate autonomously during the real-time operation to cope with the volatility of the power system based on the optimal predetermined set points from the grid agent. The effectiveness of the CDM methodology is studied and evaluated through different realistic scenarios. The results show that the proposed CDM can organize the effective energy management (EM) with a minimum operational cost to the VEH. Furthermore, because of the designed supervisory control and the provision of ancillary services using the VEH, the grid requirements can be effectively managed.
Approaches to monitor ATP levels in living cells: where do we stand?

ATP is the most universal and essential energy molecule in cells. This is due to its ability to store cellular energy in form of high‐energy phosphate bonds, which are extremely stable and readily usable by the cell. This energy is key for a variety of biological functions such as cell growth and division, metabolism, and signaling, and for the turnover of biomolecules. Understanding how ATP is produced and hydrolyzed with a spatiotemporal resolution is necessary to understand its functions both in physiological and in pathological contexts. In this review, first we will describe the organization of the electron transport chain and ATP synthase, the main molecular motor for ATP production in mitochondria. Second, we will review the biochemical assays currently available to estimate ATP quantities in cells, and we will compare their readouts, strengths, and weaknesses. Finally, we will explore the palette of genetically encoded biosensors designed for microscopy‐based approaches, and show how their spatiotemporal resolution opened up the possibility to follow ATP levels in living cells.
Academic motivation and the undergraduate business major

Abstract This research examines the motivation of undergraduate business students using the academic motivation scale. We examined the difference in motivation between business majors and a variety of nonbusiness majors. There were differences in the patterns of motivation, but business majors were not less motivated than nonbusiness students. As expected, business students exhibited an overall stronger extrinsic orientation. However, they scored significantly higher on the intrinsic desire toward accomplishment subscale. This is an interesting finding and we believe that it has implications for business educators. Specifically, we believe that game based learning may present a particularly useful approach for business majors.
Modelling Gas Exchange and Biomass Production in West
African Sahelian and Sudanian Ecological Zones

Abstract. West African Sahelian and Sudanian ecosystems are providing essential services to people and also play a significant role within the global carbon cycle. However, climate and land use are dynamically changing and it remains uncertain how these changes will affect the potential of these regions for providing food and fodder resources or the biosphere-atmosphere exchange of CO2. In this study, we investigate the capacity of a process-based biogeochemical model, LandscapeDNDC, to simulate net ecosystem exchange (NEE) and aboveground biomass of typical managed and natural Sahelian and Sudanian savanna ecosystems. We tested the model for various sites with different proportions of trees and grasses, as well as for the most typical arable cropping systems of the region. In order to describe the phenological development with a common parameterization across all ecosystem types, we introduced soil-water availability in addition to temperature as a driver as seasonal soil water-shortage is a common feature for all these systems. The new approach was tested by using a sample of sites (calibration sites) that provided NEE from flux tower observations and leaf area index data from satellite images (MODIS). For assessing the simulation accuracy, we applied the calibrated model to 42 additional sites (validation sites) across West Africa for which measured aboveground biomass data were available. The model showed a good performance regarding simulated biomass development. Overall, the comparison of simulated and observed biomass at sites with a dominating land cover of crops, grass or trees yielded correlation coefficients of 0.82, 0.94, and 0.77 and the Root Mean Square Error of 0.15, 0.22, and 0.12 kg m−2, respectively. In absolute terms, the model results indicate above-ground carbon stocks up to 1733, 3291, and 5377 kg C ha−1 yr−1 for agricultural, savanna grasslands, and savanna mixed tree-grassland sites. Carbon stocks as well as exchange rates correlated in particular with the abundance of trees. The simulations indicate higher grass biomass and crop yields under more humid climatic conditions as can be found in the Sudanian savanna region. Our study shows the capability of LandscapeDNDC to accurately simulate carbon balances in natural and agricultural ecosystems in semi-arid West Africa under a wide range of conditions, so that it might be used to assess the impact of land-use and climate change on the regional biomass productivity.
Comment on amt-2020-412

This paper reports on the detection of individual ship plumes over distances of several (ten and more) kilometers by single particle mass spectrometry. The authors use laser ablation ionization with resonance-enhanced detection of iron which increaes the sensitivity to ironcontaining particles. Such iron-containing particles (together with vanadium and nickel) are then used to identify ship plumes. Furthermore, a concentrator was used to increase the concentration of particles.
Balancing it out: A grounded theory of how midwifery students at a faith-based university in Papua New Guinea provide care to women following stillbirth

Abstract Providing care to women following stillbirth affects the well-being of midwifery staff. In this grounded theory study, the authors used focus groups and individual interviews to explore the experiences of midwifery students at a faith-based university in Papua New Guinea. Balancing it Out is the process students used to balance social, cultural and professional factors to achieve their aim of providing the best possible care to women following stillbirth. Provision of holistic care to women following stillbirth and cross-sector health promotion are crucial to attain the best outcomes for women and the midwifery staff who provide their care.
Visibility and vulnerability in online marketing practices

ABSTRACT Due to their perceived role in making content visible, engagement metrics are core concerns for people and businesses that generate revenue on social media platforms. While scholars have focused on the ways that social media users manipulate their own visibility, we investigate not only how social media users’ understandings of metrics shape the content they produce but also how this content influences the communication of users who interact with it. Based on a logistic regression analysis of 985 Facebook posts made to a group that distributes information about free products, we find that tactics commonly thought to increase engagement metrics also increased the probability that users would reveal personal information, identities and experiences, including detailed descriptions of debt, unemployment and homelessness. We argue that the information systems, compensation structures, and cultural norms currently surrounding online communication award visibility to those who make others visible in ways that potentially increase vulnerability.
The Impact of Living Arrangements (in-Camp versus Out-of-Camp) on the Quality of Life: A Case Study of Syrian Refugees in Jordan

Refugee camps are believed to represent safe havens for forcibly displaced persons, but studies looking at refugees' quality of life in camps are few. This paper explores how Syrian refugeesâ€™ quality of life in camps in Jordan differs from that of Syrian refugees residing outside camps. Using data from the Syrian Refugee and Host Community Survey, the study measures life quality through indicators of subjective life experience and material living conditions. Data are analyzed using advanced statistical methods (difference-in-difference and propensity score matching) to control for selection bias that could skew estimates of causal effects. The results show that refugees living outside camps enjoy a higher quality of life than those living in camps. Out-of-camp refugees are less likely to live below the national abject poverty line or in overcrowded houses. They possess more household assets, are more satisfied with access to services, and report higher life satisfaction. Refugee camps appear to serve as safe havens for refugees who lack the capability to exit camps, and camps could be redundant for those who possess adequate capabilities and freedom to function in the urban and peri-urban areas.
Rice yield estimation in An Giang province, the Vietnamese Mekong Delta using Sentinel-1 radar remote sensing data

Rice production in Vietnam has been developing rapidly and sustainably in recent years, contributing to ensuring national food security. However, it is facing the effect of climate change, sea-level rise, salinity intrusion, drought, and flood which threatens food production, especially in the Vietnamese Mekong Delta. For this reason, building a tool that allows estimating rice yield is necessary. SAR (Synthetic Aperture Radar) remote sensing data from Sentinel-1 satellites is provided by European Space Agency (ESA) with no cost, large coverage, and high spatio-temporal resolution, which has the advantage of observation in cloudy, foggy, rainy weather and independent of solar radiation. Therefore, this data is suitable for rice monitoring in countries with tropical monsoon climate like Vietnam. This paper presents the results of estimating the Winter-Spring rice yield in 2018 by using multitemporal Sentinel-1 data with C-band. The estimated rice yield was compared with the in-situ yield, which shows that the average values of the samples of estimated and surveyed yield were equivalent with 6.5 ton/ha and 6.6 ton/ha respectively, and the standard deviation between the estimated and surveyed yield was 0.80 ton/ha. The results demonstrate the applicability of the multitemporal SAR Sentinel-1 data for estimating rice yield in the study area, An Giang province, the Vietnamese Mekong Delta.
ANGIOTENSIN-(1-7): A NEW HORMONE OF THE ANGIOTENSIN SYSTEM

Angiotensin-(1-7) was considered as an inactive metabolite of angiotensin Ⅱ for a long time. However, new studies have shown that angiotensin-(1-7) is a new hormone of the angiotensin system which plays an important role in the modulation of cell-to-cell interactions in cardiovascular and neural function. On the basis of results obtained from the re- cent research, four basic aspects are discussed, including: (1) where is angiotensin-(1-7) present? (2) process of angiotensin-(1-7 ) formation: (3) physiological effects of an- giotensin- (1-7) 1 and (4) Antihypertensive actions of angiotensin-(1-7 ). Finally, the current knowledge on the substance is summarized.
Greigite as an Indicator for Salinity and Sedimentation Rate Change: Evidence From the Yangtze River Delta, China

Ferrimagnetic greigite (Fe3S4) is widespread in the sedimentary environment. Despite abundant reports of greigite occurrence in marine and lacustrine deposits, its formation mechanisms in deltaic deposits remain poorly studied. Here we investigate greigite in Holocene Yangtze River Delta deposits using granulometric, magnetic, and geochemical methods. The studied cores consist of tidal river, estuary, shallow marine, and delta facies in ascending order. The greigite‐bearing layers are found predominantly in the accreting tidal flat facies during the transgression stage and secondarily in the shallow marine facies during the regression stage of the delta's Holocene development. These sedimentary intervals have a higher total sulfur (TS) content and TS to total organic carbon ratios (TS/TOC) suggesting the accumulation of iron sulfides, including greigite, under reducing estuarine and shallow marine conditions. The greigite‐bearing layers in the tidal flat facies have lower Sr/Ba ratios, in comparison to the shallow marine facies, indicating a lower salinity environment. Supported by the dating results, it is suggested that the higher sedimentation rate of the tidal flat facies, caused by rapid sea‐level rise during the early Holocene, favors the formation and preservation of greigite. Our results indicate that the magnetic detection of greigite provides a simple and useful tool for inferring salinity and sedimentation rate changes, and hence better an understanding of the heterogeneity of depositional processes in Holocene delta environments.
Bitcoin economic behavior analysis and policy implications by leveraging deep learning and high-frequency data

The recent surge in Bitcoin price performance has attracted significant attention from both the market and academic researchers. This paper constitutes the first principled attempt to determine market risk own-funds requirements for Bitcoin. To this end, we examine price microstructure of the USD per bitcoin, and compare to other financial variables, as a proxy toward classifying Bitcoin into the appropriate risk-class. Using the outcomes of this analysis, we classify and quantify the entailed risk from a market risk minimum capital requirements perspective. To perform the prescribed analysis, we introduce a novel methodological paradigm, which adopts bleeding-edge concepts from the field of Data Science and Machine Learning.
Comprehensive Measurement of Italian Domestic Food Waste in a European Framework

Food management is an inefficient activity, and households are the major contributors responsible for food waste across the food supply chain. Ten years remain to halve household food waste, as recommended by the 2030 Agenda for Sustainable Development. Up to now, Italian investigations into household food waste have been research activities with limitations in measurement and sampling. The need to establish a monitoring system led the Italian Observatory on Food Surplus, Recovery and Waste to apply a methodology that permits comparison with other European countries. In 2018, a survey involving a representative sample of 1142 Italian households was carried out. The majority of respondents (77%) reported that they had wasted 370 g of food during the last week, evidence in line with data from the Netherlands and progressively different from what was found in Germany, Hungary, and Spain. Perishable products, such as fresh fruit and vegetables, bread, and nonalcoholic drinks, were mainly wasted. The most frequently disposed foods were unused (43.2%) or partly used (30.3%). As for possible causes, household food waste was significantly associated with preventive practices and ability. This study endeavored to segment household food waste based on possible drivers and barriers to preventive action, setting the stage for future monitoring, supporting policy action, and educational intervention.