Miracle-dz/UniFAR-FTUs huggingface dataset:
Theoretical Investigation on Biological Activity of Imidazole Derivatives [Carbenzim, Mebendazole] by using (DFT) and (PM3) Methods

The theoretical study represents an essential preliminary stage for the start of any industry, as it gives a theoretical description of the properties of compounds (chemical, physical and biological properties)without conducting research to find out about this and the least cost. Through the theoretical study, we extract a clear picture of the chemical compounds before starting to manufacture them to know the extent of their impact on human health and their chemical and biological effectiveness. Using the Density Functional Theory (DFT/B3LYP) with base 6-311G,throughGaussian 09 program, the optimize geometry,(bond lengths, angles bond)and vibrational spectra was calculated of the benzimidazole derivatives [Carbenzim (CZM), Mebendazole (MBZ)]. Through orbital charts of HOMO and LUMO to study electronic properties. The HOMO-LUMO gap was also evaluated for chemical reactivity and determination of global reactivity descriptors (Hardness (),Softness (S), Electrophilicity(), Chemical potential(),Electronegativity(χ))] that defines compunds effectiveness and the their biological activities. In addition, (QSAR) data has been used to develop relationships between biological activities and thermophysical properties of chemicals, through the Hyper Chem8.0programbyusingSemi-empirical(SE)method at the (PM3) level. The LOG P value was calculated, binding energy, Polarizability, hydration energy, surface area, and electrostatic potential energy difference of two level.
Electrochemical conversion of CO2 into value-added carbon with desirable structures via molten carbonates electrolysis

Direct conversion of CO2 to high value-added carbon products based on molten salt electrochemistry has been proven to be a feasible approach to solve the climate problem and achieve carbon neutrality. In this work, carbon nanotubes (CNTs), carbon spheres (CSs) and honeycomb carbon are synthesized by electrolysis of a single or multiple alkali metal carbonate electrolyte. The elemental composition, morphology and structure, crystallinity and graphitization degree of carbon products are characterized by electron dispersive spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD) and Raman microspectroscopy (RAM). The results demonstrate that a high yield of CNTs is obtained in Li2CO3 electrolyte by regulating the electrolysis temperature and current density. Compared to pure Li2CO3, Li–Na carbonate electrolyte with 1 wt% stannic oxide/cerium oxide (SnO2/GeO2) favors CS formation rather than CNT formation. Additionally, honeycomb carbon products are generated in Li–Na–K electrolyte, when the electrolysis temperature is lower than 600 °C. Overall, this work provides a novel carbon neutral strategy where high value-added carbon products are synthesized using CO2 as a carbon source.
Eruption triggering by partial crystallization of mafic enclaves at Chaos Crags, Lassen Volcanic Center, California

Abstract Magma mixing at arc volcanoes is common, but the manner in which mixing or mafic recharge may trigger volcanic eruptions is unclear. We test ideas of eruption triggering for the 1103 ± 13 years B.P. Chaos Crags eruption at the Lassen Volcanic Center, Northern California. We do so by applying mineral-melt and two-mineral equilibria from mafic enclaves and host lavas from six eruptive units of the Chaos Crags eruption to calculate crystallization conditions. Understanding that Chaos Crags are a type location for magma mixing, we estimate these P-T conditions by employing some apparently new methods to reconstruct pre-eruptive liquid compositions—which can be independently verified using various mineral-melt equilibria. We find that crystallization of “host” rhyodacite magmas occurs within the upper crust (at pressures of 0–1.7 kbar) over an approximate 300 °C interval (temperatures ranging from 669–975 °C) and that mafic magmas (which occur as enclaves within the host felsic samples) crystallized over an approximate 250 °C temperature interval (ranging from 757–1090 °C), also within the upper crust, though extending to middle-crust depths (0–3.9 kbar). Notably, both host lavas and mafic enclaves contain crystals that are inherited from their opposing end-member, and both magma types contain plagioclase crystals that appear to have equilibrated with the resulting intermediate composition magmas; these intermediate composition plagioclase crystals indicate that some amount of time passed between both the recharge of magma into a felsic reservoir and the mixing event that caused an exchange of crystals before eruption. We propose that mafic recharge—though it may have been the ultimate triggering event—did not immediately precede any of the eruptive events at Chaos Crags. The most mafic (least mixed) enclaves in our collection are nearly aphyric, indicating that they were likely the first melts to enter the system, and quenched upon intrusion into a cold, upper-crust felsic magma. Many high-T olivine grains in enclaves also coexist with clinopyroxene, plagioclase, and amphibole crystals that crystallized from only slightly more evolved liquids, at temperatures that are low enough (e.g., 800–900 °C) to have possibly quenched earlier-formed, high-T Ol crystals, perhaps negating the use of Ol diffusion profiles as a record of mixing-to-eruption timescales (at Chaos Crags, at least, they would only provide minimum times, which could be orders of magnitude less than actual times). And more crystalline enclaves record more mixing and more cooling. It thus appears that recharge is required to reinvigorate an otherwise dormant Chaos Crags system, as described by Klemetti and Clynne (2014), but ~250 °C of cooling and crystallization, as recorded by many enclaves, provides the immediate cause of eruption—through increased magma overpressure by the exsolution of a fluid phase and increased buoyancy.
Optimal airfoil design and wing analysis for solar-powered high-altitude platform station

The ability of flying continuously over prolonged periods of time has become target of numerous research studies performed in recent years in both the fields of civil aviation and unmanned drones. High-altitude platform stations are aircrafts that can operate for an extended period of time at altitudes 17 km above sea level and higher. The aim of this paper is to design and optimize a wing for such platforms and computationally investigate its aerodynamic performance. For that purpose, two-objective genetic algorithm, class shape transformation and panel method were combined and used to define different airfoils with the highest lift-to-drag ratio and maximal lift coefficient. Once the most suitable airfoil was chosen, polyhedral half-wing was modeled and its aerodynamic performances were estimated using the computational fluid dynamics approach. Flow simulations of transitional flow at various angles-of-attack were realized in ANSYS FLUENT and various quantitative and qualitative results are presented, such as aerodynamic coefficient curves and flow visualizations. In the end, daily mission of the aircraft is simulated and its energy requirement is estimated. In order to be able to cruise above Serbia in July, an aircraft weighing 150 kg must accumulate 17 kWh of solar energy per day.
Catalytic Hydrogenation, Hydrodeoxygenation, and Hydrocracking Processes of a Lignin Monomer Model Compound Eugenol over Magnetic Ru/C–Fe2O3 and Mechanistic Reaction Microkinetics

Conversion of waste lignocellulosic (LC) biomass, a widely-available low-cost feedstock, into value-added biobased chemicals (and biofuels) has been gaining much attention recently. Therefore, the present lignin valorisation study was aimed at developing magnetically-separable highly-active catalysts for hydrodeoxygenation (HDO), also proposing surface chemical kinetics. Five carbonaceous substrate-deposited Ru were synthesised and tested for the HDO of monomer moiety eugenol. Their annealing temperatures differed, specifically between 300 and 750 °C, while one was not subjected to calcination. Experiments revealed the substantial influence of annealing temperature on the product distribution. Namely, fresh nonannealed nanocomposites were not active for hydrogenolysis. By further pretreatment increase, hydrogenation and, exclusively, the deoxygenation of saturated cyclic species, were enhanced, these being more promoted considering rates and yields than commercial carbon-supported ruthenium. Over 80 mol% of 4-propyl-cylohexanol and propyl-cyclohexane could be formed over the samples, treated at 500 and 600 °C, for 100 and 125 min, respectively, under 275 °C and 5 MPa of reactor hydrogen pressure. Interestingly, a notable 4-propyl-phenol amount was produced upon 750 °C pretreating. The intrinsic microkinetic model, developed previously, was applied to determine relevant turnover parameters. Calculated modelling results indicated a 47- and 10-fold greater demethoxylation and dehydroxylation mechanism ability upon the reheatingpreheating at 600 °C in comparison to industrial (heterogeneous) Ru/C.
Depth of chest wall invasion and lymph node metastasis in non-small cell lung cancer

Lymph node involvement is an important prognostic factor for non-small cell lung cancer. This study aims to investigate the relationship between lymph node involvement and the depth of chest wall invasion. Thirty-three patients who were operated on between 2015 and 2019 for radiologically and pathologically diagnosed chest wall invasion were retrospectively reviewed. Thirtytwo of the patients were male (97.3%) and 1 was female (2.7%) with an average age of 59.4 years. The tumor had a mean diameter of 5.81cm. The invasion was in the posterior part of the chest wall in 17 patients (51.5%), lateral in 11 (33.3%) and anterior chest wall in 5 patients (15.2%). Pleural, soft tissue and costal involvement was present in 32, 19 and 9 cases, respectively. A statistically negative correlation was observed between the depth of chest wall invasion and metastasis of lymph nodes no. 2, 4, 7, 10 and 11 (p:0.041, p:0.006, p:0.011, p:0.025, and p:0.009, respectively). As the invasion progresses towards the periphery, the result of the histopathological evaluation of the lymph nodes number 2, 4, 7, 10 and 11 was found to be benign in 73.1%, 64.6%, 91.4%, 87.5% and 64.9%, respectively. The correlation between the depth of invasion and lymph node metastasis, a subject of negligence up to now was evaluated. The findings presented herein have shown that in chest wall resections, the possibility of complete resection and the presence of lymphatic involvement which is an important prognostic marker are more important in terms of survival compared to the depth of invasion.
Requiere la clasiicación de series temporales métodos especíicos

Resumen—La clasiicación de series temporales tiene la peculiaridad, respecto a otros problemas de clasiicación supervisada, de que las observaciones de las series o variables predictoras tienen un orden especíico. La mayoría de las soluciones propuestas en la literatura consideran que este orden es discriminatorio para la clasiicación y, por tanto, emplean métodos especíicos que tienen en cuenta el orden. El objetivo de esta investigación es explorar, de una manera preliminar, si realmente es siempre necesario el uso de métodos especíicos para series temporales o si hay algunos casos en los que los métodos de clasiicación no especíicos, habitualmente utilizados para datos de tipo convencional, obtienen mejores resultados que los especíicos. La experimentación llevada a cabo en 40 bases de datos del repositorio UCR muestra como en los casos en los que el orden de las observaciones no es relevante para la clasiicación, los clasiicadores no especíicos consiguen mejorar la precisión, mientras que en los casos en los que el orden es un factor clave no lo consiguen.
Oil spill detection from Synthetic Aperture Radar Earth observations: a meta-analysis and comprehensive review

ABSTRACT Oil spills are one of the most hazardous disasters with significant short- and long-term effects on fragile marine ecosystems. Synthetic Aperture Radar (SAR) has been considered an effective technology for mapping and monitoring oil spills in the marine environment, primarily thanks to its weather-, illumination-, and time-independent capabilities. To cope with serious oil spill threats, researchers have developed various analytical methodologies utilizing key advantages of SAR imagery to identify the occurrence of oil spills and discriminate lookalikes. Choosing the appropriate SAR specifications and investigating the effects of field conditions are challenging for oil spill monitoring and should be investigated further. This paper presents a comprehensive review study on maritime surveying and oil slick detection using SAR imagery through indexed research studies’ compilation and analysis. To this end, a total of 230 peer-reviewed papers, published in various remote sensing (RS) journals and 78 conference papers in the International Society for Photogrammetry and Remote Sensing (ISPRS) archive and the IEEE International Geoscience and Remote Sensing Symposium (IGARSS) proceedings were reviewed. Our review study represents a meta-analysis investigation of these papers focusing on several features, including data, sensor type, imaging mode, microwave carrier frequency (e.g., L-, C-, and X-bands), polarization option (i.e., single-pol, dual-pol, full-pol, and compact-pol), incidence angle, and wind speed. Furthermore, it provides an overview of the RS techniques developed to deal with the oil spill detection task. This paper can be a guideline for two groups of audiences; those interested in oil spill monitoring who want to get an overview of the problem and how to address it, and those already working in the field who want to understand the scope of the work being accomplished. Consequently, the current paper contributes both to academic RS research and to practical applications.
Synthesis and antimicrobial studies of graphene-silver nanocomposite through a highly environmentally benign reduction methodology

ABSTRACT A stable composite material of graphene-silver nanocomposite is synthesized using amla leaf extract as reducing as well as stabilizing agent from its precursor solution of graphene oxide and silver ions. The composite is investigated using UV-Vis, FT-IR and Raman spectroscopic techniques that confirmed the formation of said nanocomposite and further characterized by the The X-ray diffraction studies. The average size of silver nanoparticles (Ag NPs) is calculated to be 28 nm. The high resolution scanning electron microscope investigations also confirmed the formation of graphene sheets and the distribution of Ag NPs on these sheets. The graphene-silver nanocomposite exhibited good antimicrobial efficiency against two gram negative (Xanthomonascampestris, Escherichia coli), and two gram positive bacterial(Bacillus megaterium, Candida albicans) cultures.
A Graph-Based Approach for Missing Sensor Data Imputation

The Internet of Things (IoT) oriented intelligent services require high-quality sensor data delivery in the wireless sensor networks (WSNs). However, either due to the sensor malfunctions and commutation errors or simply due to the expensive overhead for making full data forwarding, data corruption and loss is relatively common in WSNs, which adversely affects the data quality and the further decisions taking from data. Motivated by the emerging field of graph signal processing (GSP), we propose to impute the missing values in wireless sensor networks based on the topological information carried in the product graph. The proposed solution captures the joint time-space dependencies among the sensor data through a spatiotemporal (ST) graph, which is a time-vertex graph constructed by taking a strong product of a temporal graph and a spatial sensor network graph. Then, the sensory data are mapped onto the vertices of the ST graph and the spatial-temporal nature of sensor data can be further characterized by the notion of smoothness used in GSP. Moreover, instead of imputing with a given spatial graph, we propose a graph learning-based imputation framework to infer underlying space dependencies between the sensors and thus enhance the data imputation performances. Finally, we validate the proposed recovery method using real-world sensor network datasets. The results demonstrate the superior performance of our proposed graph-based method in sensor data imputation, especially when massive sensor data are lost.
Optimization of the Level of Chickpea Sourdough and Baking Powder in Cake Formulation by Response Surface Methodology: Effects on Physicochemical, Sensory and Antioxidant Properties

The chickpea sourdough, also known as “sweet yeast”, has not been experimented in chemically leavened bakery products such as cake so far, although it has been used in traditional breads. The aim of this study was to optimize the amounts of chickpea sourdough (A) and baking powder (B) in cake formulation and by examining various quality parameters. An experimental design suggested by Response Surface Methodology, Central Composite Design was used for optimization. The optimization results were validated experimentally. The cake, produced according to the optimized model (OC) was compared with the control cake (CC) in terms of various quality parameters. According to the results, optimum levels of usage were 64.02 g for A and 5.97 g for B. Smaller and more homogeneous pore structures were obtained in OC texture by the use of A according to the image analysis. The cake also acquired slightly sour, sweetish and soft sensory profiles. DPPH radical scavenging activity and physicochemical properties were also improved by the use of the chickpea sourdough.
2-D DOA Estimation of Incoherently Distributed Sources Considering Gain-Phase Perturbations in Massive MIMO Systems

In massive multiple-input multiple-output (MIMO) systems, accurate direction-of-arrival (DOA) estimation is important for the base station (BS) to perform effective downlink beamforming. So far, there have been few reports on DOA estimation considering gain-phase perturbations in massive MIMO systems. However, gain-phase perturbations indeed exist in practical applications and cannot be ignored. In this paper, an efficient method for two-dimensional (2-D) DOA estimation of incoherently distributed (ID) sources considering array gain-phase perturbations is proposed for massive MIMO systems. Firstly, a shift invariance structure is established in the subspace framework, and a constrained optimization problem is formulated to estimate the nominal azimuth and elevation DOAs as well as gain-phase perturbations with closed-form expressions, under the assumption that some of the BS antennas are well calibrated; secondly, the corresponding angular spreads are obtained with the aid of the estimated gain-phase perturbations. Theoretical analysis and an approximate Cramér-Rao bound are also provided. An improved estimation performance is achieved by the proposed method as demonstrated by numerical simulations.
An SVPWM Method for Parallel Resonant DC-Link Inverter With the Smallest Loss in the Auxiliary Commutation Circuit

In order to reduce the operating frequency and loss of the auxiliary commutation circuit (ACC) and current stress of auxiliary switches of a parallel resonant dc-link inverter (PRDCLI), this article proposes a novel space vector pulsewidth modulation (SVPWM) method. The novel SVPWM method can reduce the number of operations of the ACC to once in every PWM cycle on the premise of realizing soft switching of all switches, thereby reducing the operating frequency and loss of the ACC. At the same time, by adding the shunt dead time, the novel SVPWM method can avoid the superposition of the resonant current and load current, thereby minimizing the current stress of auxiliary switches. In addition, the novel SVPWM method can apply to any PRDCLI with the ability of variable zero voltage durations. Under the novel SVPWM method, according to the equivalent circuits of different operation modes, the operation principle, soft switching realization conditions and parameter design methods of the inverter are analyzed. Finally, a 10-kW/16-kHz prototype is built using insulated gate bipolar transistors to verify the validity of the novel SVPWM method.
Microfabrication of conductive copper patterns by meniscus-confined electrodeposition

ABSTRACT Complex three-dimensional copper (Cu) wires have been successfully fabricated by meniscus-confined electrodeposition (MCED) controlled by quasi-static stability of the meniscus. Here, we report a new dynamic meniscus stability based MCED process. The obtained copper microwires are straight, uniform in width and have a smooth surface (surface finish of 8.79 nm (Ra)). When current density higher than 31.81 mA/cm2, dense Cu microstructure is deposited on the cathode substrate, while current density between 12.13 mA/cm2 and 31.81 mA/cm2, sparsity structure was observed on the surface of the copper wire. This work provides a direct method to fabricate Cu microwires on conductive substrates without the use of additives.
Trade-off between Resource Efficiency and Fast Protection for Shared Mesh Protection

Shared mesh protection (SMP) protects traffic against failures occurring in a working path, as with linear protection, and allows resource sharing of protection paths with different endpoints. The SMP mechanism coordinates multiple protection paths that require shared resources when failures occur on multiple working paths. When multiple failures occur in SMP networks sharing limited resources, activation can fail because some of the resources in the protection path are already in use. In this case, a node confirming that a resource is not available has the option to wait until the resource is available or to withdraw activation of the protection path. In this study, we recognize that the protection switching time and the number of protected services can be different, depending on which option is used for SMP networks. Moreover, we propose a detailed design for the implementation of SMP by considering options and algorithms that are commonly needed for network nodes. A simulation shows the performance of an SMP system implemented with the proposed design and utilizing two options. The results demonstrate that resource utilization can be increased or protection switching time can be shortened depending on the option selected by the network administrator.
Regional Transport Plans: From Direction Role Denied to Common Rules Identified

This paper concerns transportation planning with a specific focus on the regional level. In the context of spatial and transport integrated planning, the paper proposes a structured and systematic identification of the plans. At the European level, specific indications, prescriptive communications, and finalized funds are given to the national infrastructures by means of the TEN-T plan and program, while a Communication and specific guidelines for the Sustainable Urban Mobility Plan have been published as a useful tool to uniform and compare urban transport planning. However, there are no indications for the planning of transport at the regional scale. This paper focuses on regional transport plans, analyzing the general contents and deepening and comparing the contents related to public transport. A case study of Italy is presented. Reference is made to the national guidelines and therefore to the transport plans approved in Italy by the regions. The Italian experience, and the results evidenced, could be a valid reference for all European or extra-European regions or, in any case, for intermediate territorial planning between the national and local ones.