Search results for: electrical potential

Authors: Zineb Ouahdi

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Spirocyclic compound derivatives, with their unique heterocyclic motifs, serve as a continual source of inspiration in the pursuit of developing potential therapeutic agents. These compounds are diverse in their chemical structures; some have fully saturated skeletons, while others are partially unsaturated. Nevertheless, these compounds share a characteristic feature with natural products - the presence of at least one heteroatom in one of their rings. The inclusion of a C = O dipolarophile in pyridazinones imparts an exciting aspect for 1,3-dipolar cycloaddition reactions, the focal point of our study. Our research has involved a detailed theoretical investigation of the reaction between ethyl (Z)-2-bromo-2-(2-(p-tolyl)hydrazono)acetate and 6-methyl-4,5-dihydropyridazine-3(2H)-one. This has been accomplished using the DFT/B3LYP/6-31g(d,p) method, intending to illuminate the chemical pathway of this reaction. The chemical reactivity theories we used for this purpose included FMO, TS, and local and global indices derived from conceptual DFT. The theoretical framework outlined in this study allowed us to propose a reaction mechanism for cycloaddition reactions. It also enabled the identification of the potential activities of the analyzed compounds (P1, P2, P3, P4, P5, and P6) against the major protease of the coronavirus disease (COVID-19). This was achieved using various computational tools, including AutoDock Tools, Autodock Vina, Autodock 4, and PYRX.

Keywords: MEDT, pyridazin, cycloaddition, FMO, DFT, docking

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Authors: A. Bouloufa, K. Djessas

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In this paper, we reported the effect of substrate temperature on the structural, electrical and optical properties of In2S3 thin films deposited on soda-lime glass substrates by physical vapor deposition technique at various substrate temperatures. The In2Se3 material used for deposition was synthesized from its constituent elements. It was found that all samples exhibit one phase which corresponds to β-In2S3 phase. Values of band gap energy of the films obtained at different substrate temperatures vary in the range of 2.38-2.80 eV and decrease with increasing substrate temperature.

Keywords: buffer layer, In2S3, optical properties, PVD, structural properties

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Authors: Silvia Zanazzi

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Artificial intelligence (AI) has become an integral part of our world, transitioning from scientific exploration to practical applications that impact daily life. The emergence of generative AI is reshaping education, prompting new questions about the role of teachers, the nature of learning, and the overall purpose of schooling. While AI offers the potential for optimizing teaching and learning processes, concerns about discrimination and bias arising from training data and algorithmic decisions persist. There is a risk of a disconnect between the rapid development of AI and the goals of building inclusive educational environments. The prevailing discourse on AI in education often prioritizes efficiency and individual skill acquisition. This narrow focus can undermine the importance of collaborative learning and shared experiences. A growing body of research challenges this perspective, advocating for AI that enhances, rather than replaces, human interaction in education. This study aims to examine the relationship between AI and education critically. Reviewing existing research will identify both AI implementation’s potential benefits and risks. The goal is to develop a framework that supports the ethical and effective integration of AI into education, ensuring it serves the needs of all learners. The theoretical reflection will be developed based on a review of national and international scientific literature on artificial intelligence in education. The primary objective is to curate a selection of critical contributions from diverse disciplinary perspectives and/or an inter- and transdisciplinary viewpoint, providing a state-of-the-art overview and a critical analysis of potential future developments. Subsequently, the thematic analysis of these contributions will enable the creation of a framework for understanding and critically analyzing the role of artificial intelligence in schools and education, highlighting promising directions and potential pitfalls. The expected results are (1) a classification of the cognitive biases present in representations of AI in education and the associated risks and (2) a categorization of potentially beneficial interactions between AI applications and teaching and learning processes, including those already in use or under development. While not exhaustive, the proposed framework will serve as a guide for critically exploring the complexity of AI in education. It will help to reframe dystopian visions often associated with technology and facilitate discussions on fostering synergies that balance the ‘dream’ of quality education for all with the realities of AI implementation. The discourse on artificial intelligence in education, highlighting reductionist models rooted in fragmented and utilitarian views of knowledge, has the merit of stimulating the construction of alternative perspectives that can ‘return’ teaching and learning to education, human growth, and the well-being of individuals and communities.

Keywords: education, artificial intelligence, teaching, learning

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Authors: Hachul Jung, Ahee Kim, Sanghoon Lee, Dahye Kwon, Songwoo Yoon, Jinhee Moon

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We fabricated a wearable patch device including novel patch type flexible dry electrode based on carbon nanofibers (CNFs) and silicone-based elastomer (MED 6215) for real-time ECG monitoring. There are many methods to make flexible conductive polymer by mixing metal or carbon-based nanoparticles. In this study, CNFs are selected for conductive nanoparticles because carbon nanotubes (CNTs) are difficult to disperse uniformly in elastomer compare with CNFs and silver nanowires are relatively high cost and easily oxidized in the air. Wearable patch is composed of 2 parts that dry electrode parts for recording bio signal and sticky patch parts for mounting on the skin. Dry electrode parts were made by vortexer and baking in prepared mold. To optimize electrical performance and diffusion degree of uniformity, we developed unique mixing and baking process. Secondly, sticky patch parts were made by patterning and detaching from smooth surface substrate after spin-coating soft skin adhesive. In this process, attachable and detachable strengths of sticky patch are measured and optimized for them, using a monitoring system. Assembled patch is flexible, stretchable, easily skin mountable and connectable directly with the system. To evaluate the performance of electrical characteristics and ECG (Electrocardiography) recording, wearable patch was tested by changing concentrations of CNFs and thickness of the dry electrode. In these results, the CNF concentration and thickness of dry electrodes were important variables to obtain high-quality ECG signals without incidental distractions. Cytotoxicity test is conducted to prove biocompatibility, and long-term wearing test showed no skin reactions such as itching or erythema. To minimize noises from motion artifacts and line noise, we make the customized wireless, light-weight data acquisition system. Measured ECG Signals from this system are stable and successfully monitored simultaneously. To sum up, we could fully utilize fabricated wearable patch devices for real-time ECG monitoring easily.

Keywords: carbon nanofibers, ECG monitoring, flexible dry electrode, wearable patch

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Authors: Nyambayar Davaadorj, Ichiro Koshijima

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Safety or the state of being safe can be described as a condition of being not dangerous or not harmful. It is necessary for an individual to avoid dangerous situations every day. Also, an organization is subject to legal requirements for the health and safety of persons inside and around the immediate workplace, or who are exposed to the workplace activities. Although it might be difficult to keep a situation where complete safety is ensured, efforts must nonetheless be made to consider ways of removing any potential danger within an organization. In order to ensure a safe working environment, the capability of responding (i.e., resilience) to signals (i.e., information concerning events that could pose future problems that must be taken into account) that occur in and around corporations is necessary. The ability to evaluate this essential point is thus one way in which safety and security can be managed. This study focuses on OHSAS18001, an internationally applied standard for the construction and operation of occupational health and safety management systems, by using IDEF0 for Function Modeling (IDEF0) and the Resilience Matrix originally made by Bracco. Further, this study discusses a method for evaluating a manner in which Occupational Health and Safety Assessment Series (OHSAS) systematically functions within corporations. Based on the findings, this study clarifies the potential structural objection for corporations when implementing and operating the OHSAS standard.

Keywords: OHSAS18001, IDEF0, resilience engineering, safety culture

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Authors: J. M. Muñoz, Y. Vasquez, P. Oyola, M. Rubio

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All emissions of contaminants inside of homes, offices, school and another enclosure closer that affect the health of those who inhabit or use them are cataloged how indoor pollution. The importance of this study is because individuals spend most of their time in indoors ambient. The main indoor pollutants are oxides of nitrogen (NOₓ), sulfur dioxide (SO₂), carbon monoxide (CO) and particulate matter (PM). Combustion heaters are an important source of pollution indoors. It will be measured: NOₓ, SO₂, CO, PM₂,₅ y PM₁₀ continuous and discreet form at indoor and outdoor of two households with different heating energy; kerosene and electricity (control home) respectively, in addition to environmental parameters such as temperature. With the values obtained in the 'control home' it will be possible estimate the contaminants transport from outside to inside of the household and later the contribution generated by kerosene heating. Transporting the emissions from burning kerosene to a photochemical chamber coupled to a continuous and discreet measuring system of contaminants it will be evaluated the oxidation of the emissions and formation of secondary particulate matter. It will be expected watch a contaminants transport from outside to inside of the household and the kerosene emissions present a high potential of formation secondary particulate matter.

Keywords: heating, indoor pollution, kerosene, secondary particulate matter

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Authors: P. Valdez, M. Pelissero, A. Haim, F. Muiño, F. Galia, R. Tula

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As a result of the studies performed on the wave energy resource worldwide, a research project was set up to harvest wave energy for its conversion into electrical energy. Within this framework, a theoretical model of the electromechanical energy harvesting system, developed with MATLAB’s Simulink software, will be provided. This tool recreates the site conditions where the device will be installed and offers valuable information about the amount of energy that can be harnessed. This research provides a deeper understanding of the utilization of wave energy in order to improve the efficiency of a 1:1 scale prototype of the device.

Keywords: electromechanical device, modeling, renewable energy, sea wave energy, simulation

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Authors: Mariela Edith Arboit

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The main goal of the project is to explore the evolution possibilities of the morphological indicators of the built environment, including those resulting from progressive soil occupation, due to the relentless growth of the city’s population and subsequent increase in building density and solar access reduction per built unit. Two alternative normative proposals, Conventional Proposal (CP) and Alternative Proposal (AP), are compared. In addition, temporal scenarios of the city’s evolution process are analyzed, starting from the reference situation of existing, high-density built-up areas, and simulating their possible morphological outcomes on theoretical medium (30 yr.) and long (60 yr.) terms, as a result of the massive implementation of either regulation in the long run. The results obtained demonstrate that the Alternative Proposal (AP) presents higher mean values of predicted solar potential expressed by the Volumetric Insolation Factor total (VIFtot) for both time periods and services. Regarding environmental aspects, the different impacts of either alternative on the urban landscape quality seem to favor the AP proposal. Its deserved detailed assessment is also presently being developed through a quanti-qualitative methodology.

Keywords: building morphology, environmental quality, solar energy, urban sustainability

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Authors: I. Bouhaf Kharkhachi, A. Attaf

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Tin sulfide thin films on glass substrate were prepared by spray ultrasonic technique, at different experimental conditions. The influence of deposition time (2, 4, 6, 8 and 10 min) on different properties of thin films, such us, (XRD) and (UV) spectroscopy visible spectrum was investigated. X-ray diffraction showing that thin films crystallized in SnS, SnS2, and Sn2S3 phases. The results of (UV) spectroscopy visible spectrum show that films deposited at 4 min are large transmittance 60% in the visible region.

Keywords: SnS, thin films, ultrasonic spray, X-ray diffraction, UV spectroscopy visible

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Authors: Felipe Riveros, Ricardo Alvarez, Claudia Rahmann, Rodrigo Moreno

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Around the world, many countries have committed to a decarbonization of their electricity system. Under this global drive, converter-interfaced generators (CIG) such as wind and photovoltaic generation appear as cornerstones to achieve these energy targets. Despite its benefits, an increasing use of CIG brings several technical challenges in power systems, especially from a stability viewpoint. Among the key differences are limited short circuit current capacity, inertia-less characteristic of CIG, and response times within the electromagnetic timescale. Along with the integration of CIG into the power system, one enabling technology for the energy transition towards low-carbon power systems is battery energy storage systems (BESS). Because of the flexibility that BESS provides in power system operation, its integration allows for mitigating the variability and uncertainty of renewable energies, thus optimizing the use of existing assets and reducing operational costs. Another characteristic of BESS is that they can also support power system stability by injecting reactive power during the fault, providing short circuit currents, and delivering fast frequency response. However, most methodologies for sizing and allocating BESS in power systems are based on economic aspects and do not exploit the benefits that BESSs can offer to system stability. In this context, this paper presents a methodology for determining the optimal allocation of battery energy storage systems (BESS) in weak power systems with high levels of CIG. Unlike traditional economic approaches, this methodology incorporates stability constraints to allocate BESS, aiming to mitigate instability issues arising from weak grid conditions with low short-circuit levels. The proposed methodology offers valuable insights for power system engineers and planners seeking to maintain grid stability while harnessing the benefits of renewable energy integration. The methodology is validated in the reduced Chilean electrical system. The results show that integrating BESS into a power system with high levels of CIG with stability criteria contributes to decarbonizing and strengthening the network in a cost-effective way while sustaining system stability. This paper potentially lays the foundation for understanding the benefits of integrating BESS in electrical power systems and coordinating their placements in future converter-dominated power systems.

Keywords: battery energy storage, power system stability, system strength, weak power system

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Authors: B. Dikici, I. Ozdemir, M. Topuz

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The corrosion behaviour of 316L stainless steel coatings obtained by cold spray method was investigated in this study. 316L powders were deposited onto Al5052 aluminum substrates. The coatings were produced using nitrogen (N₂) process gas. In order to further improve the corrosion and mechanical properties of the coatings, heat treatment was applied at 250 and 750 °C. The corrosion performances of the coatings were compared using the potentiodynamic scanning (PDS) technique under in-vitro conditions (in Ringer’s solution at 37 °C). In addition, the hardness and porosity tests were carried out on the coatings. Microstructural characterization of the coatings was carried out by using scanning electron microscopy attached with energy dispersive spectrometer (SEM-EDS) and X-ray diffraction (XRD) technique. It was found that clean surfaces and a good adhesion were achieved for particle/substrate bonding. The heat treatment process provided both elimination of the anisotropy in the coating and resulting in healing-up of the incomplete interfaces between the deposited particles. It was found that the corrosion potential of the annealed coatings at 750 °C was higher than that of commercially 316 L stainless steel. Moreover, the microstructural investigations after the corrosion tests revealed that corrosion preferentially starts at inter-splat boundaries.

Keywords: biomaterials, cold spray, 316L, corrosion, heat treatment

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Authors: Shilpi Malik, Ramneek Kaur, Archita Gupta, Deepshikha Yadav, Ashwani Mathur, Manisha Singh

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Glucosamine (GS) is the most abundant naturally occurring amino monosaccharide and is normally produced in human body via cellular glucose metabolism. It is regarded as the building block of cartilage matrix and is also an essential component of cartilage matrix repair mechanism. Besides that, it can also be explored for its prebiotic potential as many bacterial species are known to utilize the amino sugar by acquiring them to form peptidoglycans and lipopolysaccharides in the bacterial cell wall. Glucosamine can therefore be considered for its fermentation by bacterial species present in the gut. Current study is focused on exploring the potential of glucosamine as prebiotic. The studies were done to optimize considerable concentration of GS to reach GI tract and being fermented by the complex gut microbiota and food grade GS was added to various Simulated Fluids of Gastro-Intestinal Tract (GIT) such as Simulated Saliva, Gastric Fluid (Fast and Fed State), Colonic fluid, etc. to detect its degradation. Since it was showing increase in microbial growth (CFU) with time, GS was Further, encapsulated to increase its residential time in the gut, which exhibited improved resistance to the simulated Gut conditions. Moreover, prepared microspehres were optimized and characterized for their encapsulation efficiency and toxicity. To further substantiate the prebiotic activity of Glucosamine, studies were also performed to determine the effect of Glucosamine on the known probiotic bacterial species, i.e. Lactobacillus delbrueckii (MTCC 911) and Bifidobacteriumbifidum (MTCC 5398). Culture conditions for glucosamine will be added in MRS media in anaerobic tube at 0.20%, 0.40%, 0.60%, 0.80%, and 1.0%, respectively. MRS media without GS was included in this experiment as the control. All samples were autoclaved at 118° C for 15 min. Active culture was added at 5% (v/v) to each anaerobic tube after cooling to room temperature and incubated at 37° C then determined biomass and pH and viable count at incubation 18h. The experiment was completed in triplicate and the results were presented as Mean ± SE (Standard error).The experimental results are conclusive and suggest Glucosamine to hold prebiotic properties.

Keywords: gastro intestinal tract, microspheres, peptidoglycans, simulated fluid

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Authors: Syed W. Hasan, Zhiqun Tian

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Wet spinning provides a facile and economic route to fabricate graphene nanofibers (GFs) on mass scale. Nevertheless, the pristine GFs exhibit significantly low electrical and mechanical properties owing to stacked graphene sheets and weak inter-atomic bonding. In this report, we present highly conductive Ag-decorated-GFs (Ag/GFs). The SEM micrographs show Ag nanoparticles (NPs) (dia ~10 nm) are homogeneously distributed throughout the cross-section of the fiber. The Ag NPs provide a conductive network for the electrons flow raising the conductivity to 1.8(10^4) S/m which is 4 times higher than the pristine GFs. Our results surpass the conductivities of graphene fibers doped with CNTs, Nanocarbon, fullerene, and Cu. The chemical and structural attributes of Ag/GFs are further elucidated through XPS, AFM and Raman spectroscopy.

Keywords: Ag nanoparticles, Conductive fibers, Graphene, Wet spinning

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Authors: Alexander Dao, Oscar Wambuguh

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Irritable Bowel Syndrome (IBS) is a heterogeneous functional bowel disease that is characterized by chronic visceral abdominal pain and abnormal bowel function and habits. Its multifactorial pathophysiology and mechanisms are still largely a mystery to the contemporary biomedical community, although there are many hypotheses to try to explain IBS’s presumed physiological, psychosocial, genetic, and environmental etiologies. IBS’s symptomatic presentation is varied and divided into four major subtypes: IBS-C, IBS-D, IBS-M, and IBS-U. Given its diverse presentation and unclear mechanisms, diagnosis is done through a combination of positive identification utilizing the “Rome IV Irritable Bowel Syndrome Criteria'' (Rome IV) diagnostic criteria while also excluding other potential conditions with similar symptoms. Treatment of IBS is focused on the management of symptoms using an assortment of pharmaceuticals, lifestyle changes, and dietary changes, with future potential in microbial treatment and psychotherapy as other therapy methods. Its chronic, heterogeneous nature and disruptive gastrointestinal (GI) symptoms are negatively impactful on patients’ daily lives, health systems, and society. However, with a better understanding of the gaps in knowledge and technological advances in IBS’s pathophysiology, management, and treatment options, there is optimism for the millions of people worldwide who are suffering from the debilitating effects of IBS.

Keywords: irritable bowel syndrome, lifestyle, diet, functional gastrointestinal disorder

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Authors: Seiied Taghi Seiied Safavian, Ebrahim Fataei, Taghi Ebadi

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Urbanized population increasing has been a major driving force for physical development and expansion. In this regard, selecting optimal management strategies for sustainable development of cities as the most important population centers has gotten more attention by the city managers. One of the most important issues in planning a sustainable development is environmental sustainability. In this research, identifying the optimal physical development strategies of Ardabil city in the future condition have been investigated based on land-use planning principles and regularities. Determination of suitable lands of urban development was conducted through natural variables comprised of slope, topography, geology, distance from fault, underground water's depth, land-use strategies and earth shape using hierarchical process method (AHP) in Geographical information system (GIS). Region's potential capabilities and talents were estimated by environmental elements extraction and its measurement based on environmental criteria. Consequently, specified suitable areas for Ardabil city development were introduced. Results of this research showed that the northern part of the Ardabil city is the most suitable sites for physical development of this city regarding the environmental sustainability criteria.

Keywords: urban development, environmental sustainability, Ardabil city, AHP, GIS

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Authors: Sulaiman Al Amro

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There are currently considerable challenges concerning data security and privacy, particularly in relation to modern technologies. This includes the virtual world known as the Metaverse, which consists of a virtual space that integrates various technologies and is therefore susceptible to cyber threats such as malware, phishing, and identity theft. This has led recent studies to propose the development of Metaverse forensic frameworks and the integration of advanced technologies, including machine learning for intrusion detection and security. In this context, the application of first-order logic offers a formal and systematic approach to defining the conditions of cyberattacks, thereby contributing to the development of effective detection mechanisms. In addition, formalizing the rules and patterns of cyber threats has the potential to enhance the overall security posture of the Metaverse and, thus, the integrity and safety of this virtual environment. The current paper focuses on the primary actions employed by avatars for potential attacks, including Interval Temporal Logic (ITL) and behavior-based detection to detect an avatar’s abnormal activities within the Metaverse. The research established that the proposed framework attained an accuracy of 92.307%, resulting in the experimental results demonstrating the efficacy of ITL, including its superior performance in addressing the threats posed by avatars within the Metaverse domain.

Keywords: security, privacy, metaverse, cyberattacks, detection, first-order logic

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Authors: Gyaltsen Dakpa, K. J. Senthil Kumar, Nai-Wen Tsao, Sheng-Yang Wang

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Context: Coronavirus disease 2019 (COVID-19) is a severe respiratory illness caused by the SARS-CoV-2 virus. One of the hallmarks of COVID-19 is a change in metabolism, which can lead to increased severity and mortality. The mechanism of SARS-CoV-2-mediated perturbations of metabolic pathways has yet to be fully understood. Research Aim: This study aimed to investigate the metabolic alteration caused by SARS-CoV-2 spike protein in Phorbol 12-myristate 13-acetate (PMA)-induced human monocytes (THP-1) and to examine the regulatory effect of natural compounds like Antcins A on SARS-CoV-2 spike protein-induced metabolic alteration. Methodology: The study used a combination of proton nuclear magnetic resonance (1H-NMR) and MetaboAnalyst 5.0 software. THP-1 cells were treated with SARS-CoV-2 spike protein or control, and the metabolomic profiles of the cells were compared. Antcin A was also added to the cells to assess its regulatory effect on SARS-CoV-2 spike protein-induced metabolic alteration. Findings: The study results showed that treatment with SARS-CoV-2 spike protein significantly altered the metabolomic profiles of THP-1 cells. Eight metabolites, including glycerol-phosphocholine, glycine, canadine, sarcosine, phosphoenolpyruvic acid, glutamine, glutamate, and N, N-dimethylglycine, were significantly different between control and spike-protein treatment groups. Antcin A significantly reversed the changes in these metabolites. In addition, treatment with antacid A significantly inhibited SARS-CoV-2 spike protein-mediated up-regulation of TLR-4 and ACE2 receptors. Theoretical Importance The findings of this study suggest that SARS-CoV-2 spike protein can cause significant metabolic alterations in THP-1 cells. Antcin A, a natural compound, has the potential to reverse these metabolic alterations and may be a potential candidate for developing preventive or therapeutic agents for COVID-19. Data Collection: The data for this study was collected from THP-1 cells that were treated with SARS-CoV-2 spike protein or a control. The metabolomic profiles of the cells were then compared using 1H-NMR and MetaboAnalyst 5.0 software. Analysis Procedures: The metabolomic profiles of the THP-1 cells were analyzed using 1H-NMR and MetaboAnalyst 5.0 software. The software was used to identify and quantify the cells' metabolites and compare the control and spike-protein treatment groups. Questions Addressed: The question addressed by this study was whether SARS-CoV-2 spike protein could cause metabolic alterations in THP-1 cells and whether Antcin A can reverse these alterations. Conclusion: The findings of this study suggest that SARS-CoV-2 spike protein can cause significant metabolic alterations in THP-1 cells. Antcin A, a natural compound, has the potential to reverse these metabolic alterations and may be a potential candidate for developing preventive or therapeutic agents for COVID-19.

Keywords: SARS-CoV-2-spike, ¹H-NMR, metabolomics, antcin-A, taiwanofungus camphoratus

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Authors: Bulent Topcuoglu

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Repeated amendments of organic matter and intensive use of fertilizers, metal-enriched chemicals and biocides may cause soil and environmental pollution in greenhouses. Specially, the impact of heavy metal pollution of soils on food metal content and underground water quality has become a public concern. Due to potential toxicity of heavy metals to human life and environment, determining the chemical form of heavy metals in greenhouse soils is an important approach of chemical characterization and can provide useful information on its mobility and bioavailability. A sequential extraction procedure was used to estimate the availability of heavy metals (Zn, Cd, Ni, Pb and Cr) in greenhouse soils of Antalya Aksu. Zn was predominantly associated with Fe-Mn oxide fraction, major portion of Cd associated with carbonate and organic matter fraction, a major portion of (>65 %) Ni and Cr were largely associated with Fe-Mn oxide and residual fractions and Pb was largely associated with organic matter and Fe-Mn oxide fractions. Results of the present study suggest that the mobility and bioavailability of metals probably increase in the following order: Cr < Pb < Ni < Cd < Zn. Among the elements studied, Zn and Cd appeared to be the most readily soluble and potentially bioavailable metals and these metals may carry a potential risk for metal transfer in food chain and contamination to ground water.

Keywords: metal speciation, metal mobility, greenhouse soils, biosystems engineering

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Authors: Zeinab Jokar, Mohammad Reza Moslemi

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In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of the band gap of a graphene nanoribbon by changing its width.

Keywords: AGNR, antidot, atomistic toolKit, vacancy

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Authors: Agus Hariyadi, Hiroatsu Fukuda

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In tropical country like Indonesia, especially in Jakarta, most of the energy consumption on building is for the cooling system, the second one is from lighting electric consumption. One of the passive design strategy that can be done is optimizing the use of natural light from the sun. In this area, natural light is always available almost every day around the year. Natural light have many effect on building. It can reduce the need of electrical lighting but also increase the external load. Another thing that have to be considered in the use of natural light is the visual comfort from occupant inside the room. To optimize the effectiveness of natural light need some modification of façade design. By using external shading device, it can minimize the external load that introduces into the room, especially from direct solar radiation which is the 80 % of the external energy load that introduces into the building. It also can control the distribution of natural light inside the room and minimize glare in the perimeter zone of the room. One of the horizontal blind that can be used for that purpose is Sudare. It is traditional Japanese blind that have been used long time in Japanese traditional house especially in summer. In its original function, Sudare is used to prevent direct solar radiation but still introducing natural ventilation. It has some physical characteristics that can be utilize to optimize the effectiveness of natural light. In this research, different scale of Sudare will be simulated using EnergyPlus and DAYSIM simulation software. EnergyPlus is a whole building energy simulation program to model both energy consumption—for heating, cooling, ventilation, lighting, and plug and process loads—and water use in buildings, while DAYSIM is a validated, RADIANCE-based daylighting analysis software that models the annual amount of daylight in and around buildings. The modelling will be done in Ladybug and Honeybee plugin. These are two open source plugins for Grasshopper and Rhinoceros 3D that help explore and evaluate environmental performance which will directly be connected to EnergyPlus and DAYSIM engines. Using the same model will maintain the consistency of the same geometry used both in EnergyPlus and DAYSIM. The aims of this research is to find the best configuration of façade design which can reduce the external load from the outside of the building to minimize the need of energy for cooling system but maintain the natural light distribution inside the room to maximize the visual comfort for occupant and minimize the need of electrical energy consumption.

Keywords: façade, natural light, blind, energy

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Authors: Rasha Saad, Jean Frederic Weber, Fatimah Bebe, Sadia Sultan

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The goal of study was to screen the effects of candesartan and four endophytic fungi for their potential in microbial biotransformation. In this experiment, four types of unidentified fungi with the codes of TH2L1, TH2R10, TH1P35 and TH1S46 were used in screening process by MECFUS (Microtiter plate, Elicitors, Combination, Freeze-drying, UHPLC, Statistical analysis) protocol. The experiment was carried out by using 96-well microtiter plate (MTP) with different media and elicitors. Various media with two concentrations of Potato Dextrose Broth (PDB) and elicitors used were to induce the production of secondary metabolites from the fungi as well as the biotransformation of the drug compound. After incubation, cultures were extracted by freeze drying method and finally analyzed by ultra-High performance Liquid Chromatography (uHPLC). The extracts analyzed by uHPLC followed by LC/Ms, demonstrated the presence of biotransformation products from the drug compound and elicitation of the secondary metabolism from the fungi by the occurrence of the additional peaks. From the four fungi, TH1S46 showed highly potential produced secondary metabolites as well as the biotransformation of candesartan. For other fungi, they responded when candesartan was introduced. Moreover, the additional peaks produced in uHPLC need to be further investigation by using LC-MS or NMR.

Keywords: biotransformation, candesartan, endophytes, secondary metabolites

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Authors: Nanh Lovanh, John Loughrin, Kimberly Cook, Phil Silva, Byung-Taek Oh

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In the era of sustainability, utilization of livestock wastes as soil amendment to provide micronutrients for crops is very economical and sustainable. It is well understood that livestock wastes are comparable, if not better, nutrient sources for crops as chemical fertilizers. However, the large concentrated volumes of animal manure produced from livestock operations and the limited amount of available nearby agricultural land areas necessitated the need for volume reduction of these animal wastes. Composting of these animal manures is a viable option for biomass and pathogenic reduction in the environment. Nevertheless, composting also increases the potential loss of available nutrients for crop production as well as unwanted emission of anthropogenic air pollutants due to the loss of ammonia and other compounds via volatilization. In this study, we examine the emission of ammonia and nitrous oxide from swine manure windrows to evaluate the benefit of biomass reduction in conjunction with the potential loss of available nutrients. The feedstock for the windrows was obtained from swine farm in Kentucky where swine manure was mixed with wood shaving as absorbent material. Static flux chambers along with photoacoustic gas analyzer were used to monitor ammonia and nitrous oxide concentrations during the composting process. The results show that ammonia and nitrous oxide fluxes were quite high during the initial composting process and after the turning of each compost pile. Over the period of roughly three months of composting, the biochemical oxygen demand (BOD) decreased by about 90%. Although composting of animal waste is quite beneficial for biomass reduction, composting may not be economically feasible from an agronomical point of view due to time, nutrient loss (N loss), and potential environmental pollution (ammonia and greenhouse gas emissions). Therefore, additional studies are needed to assess and validate the economics and environmental impact of animal (swine) manure composting (e.g., crop yield or impact on climate change).

Keywords: windrow, swine manure, ammonia, nitrous oxide, fluxes, management

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Authors: Tugbanur Ozen Balaban, Gultekin Tarcan, Unsal Gemici, Mumtaz Colak, I. Hakki Karamanderesi

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Buyuk Menderes Graben is located in the Western Anatolia (Turkey). The graben has become the largest industrial and agricultural area with a total population exceeding 3.000.000. There are two big cities within the study areas from west to east as Aydın and Denizli. The study area is very rich with regard to cold ground waters and thermal waters. Electrical production using geothermal potential has become very popular in the last decades in this area. Buyuk Menderes Graben is a tectonically active extensional region and is undergoing a north–south extensional tectonic regime which commenced at the latest during Early Middle Miocene period. The basement of the study area consists of Menderes massif rocks that are made up of high-to low-grade metamorphics and they are aquifer for both cold ground waters and thermal waters depending on the location. Neogene terrestrial sediments, which are mainly composed by alluvium fan deposits unconformably cover the basement rocks in different facies have very low permeability and locally may act as cap rocks for the geothermal systems. The youngest unit is Quaternary alluvium which is the shallow regional aquifer consists of Holocene alluvial deposits in the study area. All the waters are of meteoric origin and reflect shallow or deep circulation according to the 8O, 2H and 3H contents. Meteoric waters move to deep zones by fractured system and rise to the surface along the faults. Water samples (drilling well, spring and surface waters) and local seawater were collected between 2010 and 2012 years. Geochemical modeling was calculated distribution of the aqueous species and exchange processes by using PHREEQCi speciation code. Geochemical analyses show that cold ground water types are evolving from Ca–Mg–HCO3 to Na–Cl–SO4 and geothermal aquifer waters reflect the water types of Na-Cl-HCO3 in Aydın. Water types of Denizli are Ca-Mg-HCO3 and Ca-Mg-HCO3-SO4. Thermal water types reflect generally Na-HCO3-SO4. The B versus Cl rates increase from east to west with the proportion of seawater introduced into the fresh water aquifers and geothermal reservoirs. Concentrations of some elements (As, B, Fe and Ni) are higher than the tolerance limit of the drinking water standard of Turkey (TS 266) and international drinking water standards (WHO, FAO etc).

Keywords: Buyuk Menderes, isotope chemistry, geochemical modelling, water quality

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Authors: Leila Alidokht

Abstract:

PFAS (poly- and perfluoroalkyl substances) are a large collection of environmentally persistent organic chemicals of industrial origin that have a negative influence on human health and ecosystems. Many distinct PFAS are being utilized in a wide range of applications (on the order of thousands), and there is no comprehensive source of information on the many different compounds and their roles in diverse applications. Facilities are increasingly looking into ways to reduce waste from cleanup projects. PFAS are widespread in the environment, have been found in a wide range of human biomonitoring investigations, and are a rising source of regulatory concern for federal, state, and local governments. Nanotechnology has the potential to contribute considerably to the creation of a cleaner, greener technologies with considerable environmental and health benefits. Nanotechnology approaches are being studied for their potential to provide pollution management and mitigation options, as well as to increase the effectiveness of standard environmental cleanup procedures. Diversified nanoparticles have shown useful in removing certain pollutants from their original environment, such as sewage spills and landmines. Furthermore, they have a low hazardous effect during production rates and can thus be thoroughly explored in the future to make them more compatible with lower production costs.

Keywords: PFOS, PFOA, PFAS, soil remediation

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Authors: Mohammed Habchi, Sidi Mohammed Mesli, Rafik Benallal, Mohammed Kotbi

Abstract:

On the basis of four partial correlation functions and some geometric constraints obtained from neutron scattering experiments, a Reverse Monte Carlo (RMC) simulation has been performed in the study of the aqueous electrolyte LiCl6H2O at the glassy state. The obtained 3-dimensional model allows computing pair radial and orientational distribution functions in order to explore the structural features of the system. Unrealistic features appeared in some coordination peaks. To remedy to this, we use the Hybrid Reverse Monte Carlo (HRMC), incorporating an additional energy constraint in addition to the usual constraints derived from experiments. The energy of the system is calculated using an Environment Dependence Interaction Potential (EDIP). Ions effects is studied by comparing correlations between water molecules in the solution and in pure water at room temperature Our results show a good agreement between experimental and computed partial distribution functions (PDFs) as well as a significant improvement in orientational distribution curves.

Keywords: LiCl6H2O, glassy state, RMC, HRMC

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Authors: Khalaf Khatatneh, Nabeel Al-Milli, Amjad Hudaib, Monther Ali Tarawneh

Abstract:

Software fault prediction identify potential faults in software modules during the development process. In this paper, we present a novel approach for software fault prediction by combining a feedforward neural network with particle swarm optimization (PSO). The PSO algorithm is employed as a feature selection technique to identify the most relevant metrics as inputs to the neural network. Which enhances the quality of feature selection and subsequently improves the performance of the neural network model. Through comprehensive experiments on software fault prediction datasets, the proposed hybrid approach achieves better results, outperforming traditional classification methods. The integration of PSO-based feature selection with the neural network enables the identification of critical metrics that provide more accurate fault prediction. Results shows the effectiveness of the proposed approach and its potential for reducing development costs and effort by detecting faults early in the software development lifecycle. Further research and validation on diverse datasets will help solidify the practical applicability of the new approach in real-world software engineering scenarios.

Keywords: feature selection, neural network, particle swarm optimization, software fault prediction

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Authors: Jingqi Li

Abstract:

A new vertical carbon nanotube field effect transistor (CNTFET) has been developed. The source, drain and gate are vertically stacked in this structure. The carbon nanotubes are put on the side wall of the vertical stack. Unique transfer characteristics which depend on both silicon type and the sign of drain voltage have been observed in silicon integrated CNTFETs. The significant advantage of this CNTFET is that the short channel of the transistor can be fabricated without using complicate lithography technique.

Keywords: carbon nanotubes, field-effect transistors, electrical property, short channel fabrication

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Authors: Saurabh B. Ganorkar, Atul A. Shirkhedkar

Abstract:

The need for investigations protecting against toxic impurities though seems to be a primary requirement; the impurities which may prove non - toxic can be explored for their therapeutic potential if any to assist advanced drug discovery. The essential role of pharmaceutical analysis can thus be extended effectively to achieve it. The present study successfully achieved these objectives with characterization of major degradation products as impurities for Zileuton which has been used for to treat asthma since years. The forced degradation studies were performed to identify the potential degradation products using Ultra-fine Liquid-chromatography. Liquid-chromatography-Mass spectrometry (Time of Flight) and Proton Nuclear Magnetic Resonance Studies were utilized effectively to characterize the drug along with five major oxidative and hydrolytic degradation products (DP’s). The mass fragments were identified for Zileuton and path for the degradation was investigated. The characterized DP’s were subjected to In-Silico studies as XP Molecular Docking to compare the gain or loss in binding affinity with 5-Lipooxygenase enzyme. One of the impurity of was found to have the binding affinity more than the drug itself indicating for its potential to be more bioactive as better Antiasthmatic. The close structural resemblance has the ability to potentiate or reduce bioactivity and or toxicity. The chances of being active biologically at other sites cannot be denied and the same is achieved to some extent by predictions for probability of being active with Prediction of Activity Spectrum for Substances (PASS) The impurities found to be bio-active as Antineoplastic, Antiallergic, and inhibitors of Complement Factor D. The toxicological abilities as Ames-Mutagenicity, Carcinogenicity, Developmental Toxicity and Skin Irritancy were evaluated using Toxicity Prediction by Komputer Assisted Technology (TOPKAT). Two of the impurities were found to be non-toxic as compared to original drug Zileuton. As the drugs are purposed and repurposed effectively the impurities can also be; as they can have more binding affinity; less toxicity and better ability to be bio-active at other biological targets.

Keywords: UFLC, LC-MS-TOF, NMR, Zileuton, impurities, toxicity, bio-activity

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Authors: Amir Amiri, Naghmeh Morakabati

Abstract:

During the recent years the six-fold growth of cancer in Iran has led the production of healthy products to become a challenge in the food industry. Due to the young population in the country, the consumption of fast foods is growing. The chemical cancer-causing preservatives are used to produce these products more than the standard; so using an appropriate alternative seems to be important. On the one hand, the plant essential oils show the high antimicrobial potential against pathogenic and spoilage microorganisms and on the other hand they are highly volatile and decomposed under the processing conditions. The study aims to produce the loaded chitosan nanoparticles with different concentrations of savory essential oil to improve the anti-microbial property and increase the resistance of essential oil to oxygen and heat. The encapsulation efficiency was obtained in the range of 32.07% to 39.93% and the particle size distribution of the samples was observed in the range of 159 to 210 nm. The range of Zeta potential was obtained between -11.9 to -23.1 mV. The essential oil loaded in chitosan showed stronger antifungal activity against Rhizopus stolonifer. The results showed that the antioxidant property is directly related to the concentration of loaded essential oil so that the antioxidant property increases by increasing the concentration of essential oil. In general, it seems that the savory essential oil loaded in chitosan particles can be used as a food processor.

Keywords: chitosan, encapsulation, essential oil, nanogel

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Authors: Dipti Yadav, Latha Rangan, Pinakeswar Mahanta

Abstract:

Recent fuel-development strategies to reduce oil dependency, mitigate greenhouse gas emissions, and utilize domestic resources have generated interest in the search for alternative sources of fuel supplies. Bioenergy production from lignocellulosic biomass has a great potential. Cellulose, hemicellulose and Lignin are main constituent of woods or agrowaste. In all the industries there are always left over or waste products mainly lignin, due to the heterogeneous nature of wood and pulp fibers and the heterogeneity that exists between individual fibers, no method is currently available for the quantitative isolation of native or residual lignin without the risk of structural changes during the isolation. The potential benefits from finding alternative uses of lignin are extensive, and with a double effect. Lignin can be used to replace fossil-based raw materials in a wide range of products, from plastics to individual chemical products, activated carbon, motor fuels and carbon fibers. Furthermore, if there is a market for lignin for such value-added products, the mills will also have an additional economic incentive to take measures for higher energy efficiency. In this study residual lignin were isolated from areca nut shells by acid hydrolysis and were analyzed and characterized by Fourier Transform Infrared (FTIR), LCMS and complexity of its structure investigated by NMR.

Keywords: Areca nut, Lignin, wood, bioenergy

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