Search results for: quantum chemical methods

Authors: Wojciech Grochala

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AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

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Authors: A. Preetha Priyadharshini, S. B. M. Priya

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In this paper, we consider the MU-MISO downlink scenario, under imperfect channel state information (CSI). The main issue in imperfect CSI is to keep the probability of each user achievable outage rate below the given threshold level. Such a rate outage constraints present significant and analytical challenges. There are many probabilistic methods are used to minimize the transmit optimization problem under imperfect CSI. Here, decomposition based large deviation inequality and Bernstein type inequality convex restriction methods are used to perform the optimization problem under imperfect CSI. These methods are used for achieving improved output quality and lower complexity. They provide a safe tractable approximation of the original rate outage constraints. Based on these method implementations, performance has been evaluated in the terms of feasible rate and average transmission power. The simulation results are shown that all the two methods offer significantly improved outage quality and lower computational complexity.

Keywords: imperfect channel state information, outage probability, multiuser- multi input single output, channel state information

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Authors: Fatbardhë Kurti, Giangiacomo Beretta, Behxhet Mustafa, Fabrizio Gelmini, Avni Hajdari

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Chemical profile, antioxidant and antimicrobial activity of total and fractionated essential oils (EOs) (F1 – hexane, F2 – hexane/diethyl ether, F3 – diethyl ether) derived from five Pinus species (Pinus heldreichii, P. peuce, P. mugo, Pinus nigra, P. sylvestris), were investigated. The hydrodistilled EOs and their chromatographic fractions (direct solid phase extraction, SPE) were analysed by GC-MS and 112 compounds separated and identified. The main constituents were α-pinene, β-pinene, D-limonene, β-caryophyllene, germacrene D, bornyl acetate and 3-carene. The antioxidant activities of total EOs were lower than those of the corresponding fractions, with F2 the strongest in all cases. EOs and fractions showed different degrees of antibacterial efficacy against different microbial pathogens (moderately strong antimicrobial activity against C. albicans and C. krusei ,while low or no activity against E. faecalis and E. coli strains). The detected inhibition zones and MICs for the EOs and fractions were in the range of 14 -35 mm and 0.125 - 1% (v/v), respectively. The components responsible for the antioxidant and antimicrobial activity were oxygenated monoterpenes and sesquiterpenes recovered in the polar EO fractions. These activities seem to be regulated by reciprocal interactions among the different subclasses of phytochemical species present in the EOs.

Keywords: antagonism, antioxidant activity, antibacterial activity, essential oil, fractions, GC-MS, pinus

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Authors: H. Namazi, H. T. N. Kuan

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Brain activity can be measured by acquiring and analyzing EEG signals from an individual. In fact, the human brain response to external and internal stimuli is mapped in his EEG signals. During years some methods such as Fourier transform, wavelet transform, empirical mode decomposition, etc. have been used to analyze the EEG signals in order to find the effect of stimuli, especially external stimuli. But each of these methods has some weak points in analysis of EEG signals. For instance, Fourier transform and wavelet transform methods are linear signal analysis methods which are not good to be used for analysis of EEG signals as nonlinear signals. In this research we analyze the brain response to auditory stimuli by extracting information in the form of various measures from EEG signals using a software developed by our research group. The used measures are Jeffrey’s measure, Fractal dimension and Hurst exponent. The results of these analyses are useful not only for fundamental understanding of brain response to auditory stimuli but provide us with very good recommendations for clinical purposes.

Keywords: auditory stimuli, brain response, EEG signal, fractal dimension, hurst exponent, Jeffrey’s measure

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Authors: Leonor Varandas, Pedro D. Gaspar, Martim L. Aguiar

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One of the biggest concerns in the field of agriculture is around the energy efficiency of robots that will perform agriculture’s activity and their charging methods. In this paper, two different charging methods for agricultural standalone docking stations are shown that will take into account various variants as field size and its irregularities, work’s nature to which the robot will perform, deadlines that have to be respected, among others. Its features also are dependent on the orchard, season, battery type and its technical specifications and cost. First charging base method focuses on wireless charging, presenting more benefits for small field. The second charging base method relies on battery replacement being more suitable for large fields, thus avoiding the robot stop for recharge. Existing many methods to charge a battery, the CC CV was considered the most appropriate for either simplicity or effectiveness. The choice of the battery for agricultural purposes is if most importance. While the most common battery used is Li-ion battery, this study also discusses the use of graphene-based new type of batteries with 45% over capacity to the Li-ion one. A Battery Management Systems (BMS) is applied for battery balancing. All these approaches combined showed to be a promising method to improve a lot of technical agricultural work, not just in terms of plantation and harvesting but also about every technique to prevent harmful events like plagues and weeds or even to reduce crop time and cost.

Keywords: agricultural mobile robot, charging methods, battery replacement method, wireless charging method

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Authors: Yeraldin Galindo, Soraida Mora

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Solid urban waste represents one of the largest sources of global environmental pollution due to the large quantities of these that are produced every day; thus, the elimination of such waste is a major problem for the environmental authorities who must look for alternatives to reduce the volume of waste with the possibility of obtaining an energy recovery. At the Autónoma de Colombia University, approximately 423.27 kg/d of solid waste are generated mainly paper, cardboard, and plastic. A large amount of these solid wastes has as final disposition the sanitary landfill of the city, wasting the energy potential that these could have, this, added to the emissions generated by the collection and transport of the same, has as consequence the increase of atmospheric pollutants. One of the alternative process used in the last years to generate electrical energy from solid waste such as paper, cardboard, plastic and, mainly, organic waste or biomass to replace the use of fossil fuels is the gasification. This is a thermal conversion process of biomass. The objective of it is to generate a combustible gas as the result of a series of chemical reactions propitiated by the addition of heat and the reaction agents. This project was developed with the intention of giving an energetic use to the waste (paper, cardboard, and plastic) produced inside the university, using them to generate a synthesis gas with a gasifier prototype. The gas produced was evaluated to determine their benefits in terms of electricity generation or raw material for the chemical industry. In this process, air was used as gasifying agent. The characterization of the synthesis gas was carried out by a gas chromatography carried out by the Chemical Engineering Laboratory of the National University of Colombia. Taking into account the results obtained, it was concluded that the gas generated is of acceptable quality in terms of the concentration of its components, but it is a gas of low calorific value. For this reason, the syngas generated in this project is not viable for the production of electrical energy but for the production of methanol transformed by the Fischer-Tropsch cycle.

Keywords: alternative energies, gasification, gasifying agent, solid urban waste, syngas

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Authors: Reza Tirsadi Librawan, Tara Vergita Rakhma

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The increasing demand for energy and concern of global warming are intertwined issues of critical importance. With the pressing needs of clean, efficient and cost-effective energy conversion processes, an alternative clean energy source is needed. Biomass is one of the preferable options because it is clean and renewable. The efficiency for biomass conversion is constrained by the relatively low energy density and high moisture content from biomass. This study based on bio-based resources presents the Biomass Direct Chemical Looping Combustion Process (BDCLC), an alternative process that has a potential to convert biomass in thermal cracking to produce electricity and CO2. The BDCLC process using iron-based oxygen carriers has been developed as a biomass conversion process with in-situ CO2 capture. The BDCLC system cycles oxygen carriers between two reactor, a reducer reactor and combustor reactor in order to convert coal for electric power generation. The reducer reactor features a unique design: a gas-solid counter-current moving bed configuration to achieve the reduction of Fe2O3 particles to a mixture of Fe and FeO while converting the coal into CO2 and steam. The combustor reactor is a fluidized bed that oxidizes the reduced particles back to Fe2O3 with air. The oxidation of iron is an exothermic reaction and the heat can be recovered for electricity generation. The plant design’s objective is to obtain 5 MW of electricity with the design of the reactor in 900 °C, 2 ATM for the reducer and 1200 °C, 16 ATM for the combustor. We conduct process simulation and analysis to illustrate the individual reactor performance and the overall mass and energy management scheme of BDCLC process that developed by Aspen Plus software. Process simulation is then performed based on the reactor performance data obtained in multistage model.

Keywords: biomass, CO2 capture, direct chemical looping combustion, power generation

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Authors: G. Alston Rush, Gus A. Rush III, M. F. Horstemeyer

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This study compares the shell-facemask responses of four commonly used American football helmets, under the National Operating Committee on Standards for Athletic Equipment (NOCSAE) drop impact test method, to show that the test standard would more accurately simulate in-use conditions by modification to include the facemask. In our study, the need for a more vigorous systematic approach to football helmet testing procedures is emphasized by comparing the Head Injury Criterion (HIC), the Gadd Severity Index (SI), and peak acceleration values for different helmets at different locations on the helmet under modified NOCSAE standard drop tower tests. Drop tests were performed on the Rawlings Quantum Plus, Riddell 360, Schutt Ion 4D, and Xenith X2 helmets at eight impact locations, impact velocities of 5.46 and 4.88 meters per second, and helmet configurations with and without facemasks. Analysis of NOCSAE drop test results reveal significant differences (p < 0.05) for when the facemasks were attached to helmets, as compared to the NOCSAE Standard, without facemask configuration. The boundary conditions of the facemask attachment can have up to a 50% decrease (p < 0.001) in helmet performance with respect to peak acceleration. While generally, all helmets with the facemasks gave greater HIC, SI, and acceleration values than helmets without the facemasks, significant helmet dependent variations were observed across impact locations and impact velocities. The variations between helmet responses could be attributed to the unique design features of each helmet tested, which include different liners, chin strap attachments, and faceguard attachment systems. In summary, these comparative drop test results revealed that the current NOCSAE standard test methods need improvement by attaching the facemasks to helmets during testing. The modified NOCSAE football helmet standard test gives a more accurate representation of a helmet’s performance and its ability to mitigate the on-field impact.

Keywords: football helmet testing, gadd severity index, head injury criterion, mild traumatic brain injury

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Authors: Irna Malganova

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The paper assessed the effectiveness of the use of urban functional zoning using the method of M.A. Kramer by the example of Kazan city (Republic of Tatarstan, Russian Federation) using geoinformation technologies. On the basis of the data obtained, the calculations were carried out to obtain data on population density, overcoming geographic determinism, as well as the effectiveness of the formation of urban frameworks. The authors proposed recommendations for the effectiveness of municipal frameworks in the period from 2018 to 2021: economic, social, environmental and social. The study of effective territorial planning in a given period allows to display of the dynamics of planning changes, as well as assessment of changes in the formation of urban frameworks. Based on the incoming data obtained from the master plan of the municipal formation of Kazan, in the period from 2018 to 2021, there was an increase in population by 13841 people or 1.1% of the values of 2018. In addition, the area of Kazan increased by 2419.6 hectares. In the structure of the distribution of areas of functional zones, there was an increase in such zones of the municipality as zones of residential and public purpose. Changes in functional zoning, as well as territories requiring reorganization, are presented using geoinformation technologies in open-source software Quantum Geographic Information System (QGIS 3.32). According to the calculations based on the method of functional zoning efficiency by M.A. Kreimer, the territorial-planning structure of Kazan City is quite effective. However, in the development of spatial planning concepts, it is possible to emphasize the weakened interest of the population in the development of territorial planning documents. Thus, the approach to spatial planning of Kazan differs from foreign methods and approaches based on the joint development of planning directions and development of territories of municipalities between the developers of the planning structure, business representatives and the population. The population plays the role of the target audience on which territorial planning is oriented. It follows that there is a need to satisfy the opinions and demands of the population.

Keywords: spatial development, metamorphosis, Kazan city, spatial planning, efficiency, geographic determinism., GIS, QGIS

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Authors: Sara Muhammad Elqudah, Vigh László Gergely

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Catastrophic events, such as earthquakes, are sudden, short, and devastating, threatening lives, demolishing futures, and causing huge economic losses. Current seismic analyses and design standards are based on life safety levels where only some residual strength and stiffness are left in the structure leaving it beyond economical repair. Consequently, it has become necessary to introduce and implement the concept of resilient design. Resilient design is about designing for ductility over time by resisting, absorbing, and recovering from the effects of a hazard in an appropriate and efficient time manner while maintaining the functionality of the structure in the aftermath of the incident. Resilient analysis is mainly based on the fragility, vulnerability, and functionality curves where eventually a resilience index is generated from these curves, and the higher this index is, the better is the performance of the structure. In this paper, seismic performances of a simple two story reinforced concrete building, located in a moderate seismic region, has been evaluated using the conventional seismic analyses methods, which are the linear static analysis, the response spectrum analysis, and the pushover analysis, and the generated results of these analyses methods are compared to those of the resilient analysis. Results highlight that the resilience analysis was the most convenient method in generating a more ductile and functional structure from a socio-economic perspective, in comparison to the standard seismic analysis methods.

Keywords: conventional analysis methods, functionality, resilient analysis, seismic performance

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Authors: Athanasios A. Tountas, Geoffrey A. Ozin, Mohini M. Sain

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Renewable hydrogen (H₂) carriers such as methanol (MeOH), dimethyl ether (DME), oxymethylene dimethyl ethers (OMEs), and conceivably ammonia (NH₃) can be reformed back into H₂ and are fundamental chemical conversions for the long-term viability of the H₂ economy due to their higher densities and ease of transportability compared to H₂. MeOH is an especially important carrier as it is a simple C1 chemical that can be produced from green solar-PV-generated H₂ and direct-air-captured CO₂ with a current commercially practical solar-to-fuel efficiency of 10% from renewable solar energy. MeOH steam reforming (MSR) in stationary systems next to H₂ fuel-cell filling stations can eliminate the need for onboard mobile reformers, and the former systems can be more robust in terms of attaining strict H₂ product specifications, and MeOH is a safe, lossless, and compact medium for long-term H₂ storage. Both thermal- and photo-catalysts are viable options for achieving the stable, long-term performance of stationary MSR systems.

Keywords: fuel-cell vehicle filling stations, methanol steam reforming, hydrogen transport and storage, stationary reformer, liquid hydrogen carriers

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Authors: Munirah Alaboudi

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This paper discusses a research project carried out with 12 first-year graduate students enrolled in research methods course prior to undertaking a graduate thesis during the academic year 2019. The research was designed for the objective of creating research methods course structure that embraces an individualized and activity-based approach to learning in a highly engaging group environment. This approach targeted innovating the traditional research methods lecture-based, theoretical format where students reported less engagement and limited learning. This study utilized action research methodology in developing a different approach to research methods course instruction where student performance indicators and feedback were periodically collected to assess the new teaching method. Student learning was achieved through utilizing the flipped classroom approach where students learned the material at home and classroom activities were designed to implement and experiment with the newly acquired information, with the guidance of the course instructor. Student learning in class was practiced through a series of activities based on different research methods. With the goal of encouraging student engagement, a wide range of activities was utilized including workshops, role play, mind-mapping, presentations, peer evaluations. Data was collected through an open-ended qualitative questionnaire to establish whether students were engaged in the material they were learning, and to what degree were they engaged, and to test their mastery level of the concepts discussed. Analysis of the data presented positive results as around 91% of the students reported feeling more engaged with the active learning experience and learning research by “actually doing research, not just reading about it”. The students expressed feeling invested in the process of their learning as they saw their research “gradually come to life” through peer learning and practice during workshops. Based on the results of this study, the research methods course structure was successfully remodeled and continues to be delivered.

Keywords: research methods, higher education instruction, flipped classroom, graduate education

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Authors: Fadi Awawdeh

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In this work, we highlight the key concepts in using semigroup theory as a methodology used to construct efficient formulas for solving inverse problems. The proposed method depends on some results concerning integral equations. The experimental results show the potential and limitations of the method and imply directions for future work.

Keywords: identification problems, semigroup theory, methods for inverse problems, scientific computing

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Authors: Ahmed Altalb

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Fertilizers are natural materials, or industrial contain nutrients, which help to improve soil fertility and is considered (nitrogen, phosphorus, and potassium) is important elements for the growth of crops properly. Fertilization is necessary in order to improve the quality of agricultural products and the recovery in agricultural activities. The use of organic fertilizers and chemical lead to reduce the loss of nutrients in agricultural soils, and this leads to an increase in the production of agricultural crops. Fertilizers are one of the key factors in the increase of agricultural production as well as other factors such as irrigation and improved seeds and Prevention and others; the fertilizers will continue to be a cornerstone of the agriculture in order to produce the food to feed of world population. The use of fertilizers has become commonplace today, especially the chemical fertilizers for the development of agricultural production, due to the provision of nutrients for plants and in high concentrations and easily dissolves in water and ease of use. The choose the right type of fertilizer depends on the soil type and the type of crop. In this subject, find the relationship between the agricultural extension and the optimal use of fertilizers. The extension plays the important role in the advise and educate of farmers in how they optimal use the fertilizers in a scientific way. This article aims to identify the concept the fertilizers. Identify the role of fertilizers in increasing the agricultural production, identify the role of agricultural extension in the optimal use of fertilizers and rural development.

Keywords: agricultural, extension, fertilizers, production

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Authors: Klaudia Chmielewska, Krystyna Dzierzbicka, Iwona Inkielewicz-Stepniak

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Carnosine, an endogenous peptide consisting of β-alanine and L-histidine has a variety of functions to mention: antioxidant, antiglycation, and reducing the toxicity of metal ions. It has therefore been proposed to act as a therapeutic agent for many pathological states, although its therapeutic index is limited by quick enzymatic cleavage. To overcome this limitation, there’s an urge to create new derivatives which might become less potent to hydrolysis, while preserving the therapeutic effect. The poster summarizes the efficiency of two peptide synthesis methods, which were: (1) the mixed anhydride with isobutyl chloroformate and N-methylmorpholine (NMM) and (2) carbodiimide - mediated coupling method via appropriate reagent condensing, here – CDI. The methods were used to obtain dipeptides which were the derivatives of carnosine. Obtained dipeptides were made in the form of methyl esters and their structures will be confirmed 1H NMR, 13C NMR, MS and elemental analysis techniques. Later on, they will be analyzed for their antioxidant properties, in comparison to carnosine.

Keywords: carnosine, method, peptide, synthesis

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Authors: Nuanwan Tuaycharoen, Wanarat Konisranukul

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The main aim of this research was to investigate the prototype of bamboo shading device. There were two objectives of this study. The first objective was to investigate the effect of non-chemical treatments on damage of bamboo shading device by powder-post beetle and fungi. The second aim of this study was to develop a prototype of bamboo shading device. The study of the effect of non-chemical treatments on damage of bamboo shading device by powder-post beetle in laboratory showed that, among seven treatments tested, wood vinegar treatment can protect powder-post beetle better than the original method up to 92.91%. It was also found that wood vinegar treatment can show the best performance in fungi protection and work better than the original method up to 40%. The second experiment was carried out by constructing four bamboo shading devices and installing them on a building for 28 days. All aspects of shading device were investigated in terms of their beauty, durability, and ease of construction and assembly. The final prototype was developed from the lessons drawn from these tested options. In conclusion this study showed the effectiveness of some natural preservatives against insect and fungi damage. It also illustrated the characteristics of the prototype of bamboo shading device that can constructed by rural workers within one week.

Keywords: bamboo, shading device, energy conservation, alternative material

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Authors: Sorour Semsari Parapari, Mehmet Ali Gülgün, Melih Papila

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Cement production is one of the most energy-intensive processes consuming a high amount of thermal energy. Nowadays, alternative fuels are being used in cement manufacturing in a large scale as a help to provide the necessary energy. The alternative fuels could consist of any disposal like waste plastics, used tires and biomass. It has been suggested that the clinker properties might be affected by using these fuels because of foreign elements incorporation to the composition. Studying the distribution of clinker phases and their chemical composition is possible with scanning electron microscopy (SEM). In this study, clinker samples were produced using different alternative fuels in cement firing kilns. The microstructural observations by back-scattered electrons (BSE) mode in SEM (JEOL JSM-6010LV) showed that the clinker phase distribution was dissimilar in samples prepared with different alternative fuels. The alite to belite (a/b) phase content of samples was quantified by image analysis. The results showed that the a/b varied between 5.2 and 1.5 among samples as the average value for six clinker nodules. The elemental analysis by energy-dispersive x-ray spectroscopy (EDS) mounted on SEM indicated the variation in chemical composition among samples. Higher amounts of sulfur and alkalis seemed to reduce the alite phase formation in clinkers.

Keywords: alternative fuels, cement clinker, microstructure, SEM

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Authors: Nhan N. T. Ton, Anh T. N. Dao, Kouichirou Katou, Toshiaki Taniike

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Facile electron-hole recombination and the broad band gap are two major drawbacks of titanium dioxide (TiO₂) when applied in visible-light photocatalysis. Hybridization of TiO₂ with graphene is a promising strategy to lessen these pitfalls. Recently, there have been many reports on the synthesis of TiO₂/graphene nanocomposites, in most of which graphene oxide (GO) was used as a starting material. However, the reduction of GO introduced a large number of defects on the graphene framework. In addition, the sensitivity of titanium alkoxide to water (GO usually contains) significantly obstructs the uniform and controlled growth of TiO₂ on graphene. Here, we demonstrate a novel technique to synthesize TiO₂/graphene nanocomposites without the use of GO. Graphene dispersion was obtained through the chemical exfoliation of graphite in titanium tetra-n-butoxide with the aid of ultrasonication. The dispersion was directly used for the sol-gel reaction in the presence of different catalysts. A TiO₂/reduced graphene oxide (TiO₂/rGO) nanocomposite, which was prepared by a solvothermal method from GO, and the commercial TiO₂-P25 were used as references. It was found that titanium alkoxide afforded the graphene dispersion of a high quality in terms of a trace amount of defects and a few layers of dispersed graphene. Moreover, the sol-gel reaction from this dispersion led to TiO₂/graphene nanocomposites featured with promising characteristics for visible-light photocatalysts including: (I) the formation of a TiO₂ nano layer (thickness ranging from 1 nm to 5 nm) that uniformly and thinly covered graphene sheets, (II) a trace amount of defects on the graphene framework (low ID/IG ratio: 0.21), (III) a significant extension of the absorption edge into the visible light region (a remarkable extension of the absorption edge to 578 nm beside the usual edge at 360 nm), and (IV) a dramatic suppression of electron-hole recombination (the lowest photoluminescence intensity compared to reference samples). These advantages were successfully demonstrated in the photocatalytic decomposition of methylene blue under visible light irradiation. The TiO₂/graphene nanocomposites exhibited 15 and 5 times higher activity than TiO₂-P25 and the TiO₂/rGO nanocomposite, respectively.

Keywords: chemical exfoliation, photocatalyst, TiO₂/graphene, sol-gel reaction

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Authors: Nicolas Zufferey

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Ant algorithms are well-known metaheuristics which have been widely used since two decades. In most of the literature, an ant is a constructive heuristic able to build a solution from scratch. However, other types of ant algorithms have recently emerged: the discussion is thus not limited by the common framework of the constructive ant algorithms. Generally, at each generation of an ant algorithm, each ant builds a solution step by step by adding an element to it. Each choice is based on the greedy force (also called the visibility, the short term profit or the heuristic information) and the trail system (central memory which collects historical information of the search process). Usually, all the ants of the population have the same characteristics and behaviors. In contrast in this paper, a new type of ant metaheuristic is proposed, namely SMART (for Solution Methods with Ants Running by Types). It relies on the use of different population of ants, where each population has its own personality.

Keywords: ant algorithms, evolutionary procedures, metaheuristics, optimization, population-based methods

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Authors: Rebecca Thombre, Aishwarya Borate

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Chemical synthesis of nanoparticles produces toxic by-products, as a result of which eco-friendly methods of synthesis are gaining importance. The synthesis of nanoparticles using plant derived extracts is economical, safe and eco-friendly. Biostabilized gold nanoparticles were synthesized using extracts of Garcinia indica. The gold nanoparticles were characterized using UV-Vis spectrophotometry and demonstrated a peak at 527 nm. The presence of plant derived peptides and phytoconstituents was confirmed using the FTIR spectra. TEM analysis revealed formation of gold nanopyramids and nanorods. The SAED analysis confirmed the crystalline nature of nanoparticles. The gold nanoparticles demonstrated antibacterial and antifungal activity against Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Aspergillus niger and Pichia pastoris. The cytotoxic activity of gold nanoparticles was studied using HEK, Hela and L929 cancerous cell lines and the apoptosis of cancerous cells were observed using propidium iodide staining. Thus, a simple and eco-friendly method for synthesis of biostabilized gold nanoparticles using fruit extracts of Garcinia indica was developed and the nanoparticles had potent antibacterial, antifungal and anticancer properties.

Keywords: cytotoxic, gold nanoparticles, green synthesis, Garcinia indica, anticancer

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Authors: Baikunthanath Sahoo, Santosh Kumar Sahu, Krishna Malakar

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With the essence of global environmental sustainability and green business management, the wind of business research moved towards Corporate Social Responsibility. In addition to international and national treaties, businesses have also started realising environmental protection and energy efficiency through CSR as part of business strategy in response to climate change. Considering the ambitious emission reduction target and rapid economic development of India, this study is an attempt to explore the effect of CSR on the energy efficiency management of manufacturing firms in India. By using firm-level data, the panel fixed effect model shows that the CSR dummy variable is negatively influencing the energy intensity or technically, they are energy efficient. The result demonstrates that in the presence of CSR, all the production economic variables are significant. The result also shows that doing environmental expenditure does not improve energy efficiency might be because very few firms are motivated to do such expenditure and also not common to all sectors. The interactive effect model result conforms that without considering CSR dummy as an intervening variable only Manufacturers of Chemical and Chemical products, Manufacturers of Pharmaceutical, medical chemical, and botanical products firms energy intensity low but after considering CSR in their business practices all six sub-sector firms become energy efficient. The empirical result also validate that firms are continuously engaged in CSR activities they are highly energy efficient. It is an important motivational factor for firms to become economically and environmentally sustainable in the corporate world. This analysis would help business practitioners to know how to manage today’s profitability and tomorrow’s sustainability to achieve a comparative advantage in the emerging market economy. The paper concludes that reducing energy consumption as part of their social responsibility to care for the environment, will need collaborative efforts of business society and policy bodies.

Keywords: CSR, Energy Efficiency, Indian manufacturing Sector, Business strategy

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Authors: Elham Allahmoradi, Bahman Allahmoradi, Ali Bonyadi Naeini

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Complex systems have many aspects. A variety of methods have been developed to analyze these systems. The most efficient of these methods should not only be simple, but also provide useful and comprehensive information about many aspects of the system. Matrix methods are considered the most commonly methods used to analyze and design systems. Each matrix method can examine a particular aspect of the system. If these methods are combined, managers can access to more comprehensive and broader information about the system. This study was conducted in four steps. In the first step, a process model of a real project has been extracted through IDEF3. In the second step, activity levels have been attained by writing a process model in the form of a design structure matrix (DSM) and sorting it through triangulation algorithm (TA). In the third step, sub-processes have been obtained by writing the process model in the form of an interface structure matrix (ISM) and clustering it through cluster identification algorithm (CIA). In the fourth step, a mixed model has been developed to provide a unified picture of the project structure through the simultaneous presentation of activities and sub-processes. Finally, the paper is completed with a conclusion.

Keywords: integrated definition for process description capture (IDEF3) method, design structure matrix (DSM), interface structure matrix (ism), mixed matrix model, activity level, sub-process

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Authors: V. Verma, Syed Riyaz-ul-Hassan

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Staphylococcus aureus is one of the most commonly found pathogenic bacteria and is hard to eliminate from the human environment. It is responsible for many nosocomial infections, besides being the main causative agent of food intoxication by virtue of its variety of enterotoxins. Routine detection of S. aureus in food is usually carried out by traditional methods based on morphological and biochemical characterization. These methods are time-consuming and tedious. In addition, misclassifications with automated susceptibility testing systems or commercially available latex agglutination kits have been reported by several workers. Consequently, there is a need for methods to specifically discriminate S. aureus from other staphylococci as quickly as possible. Data on protocols developed using molecular means like PCR technology will be presented for rapid and specific detection of this pathogen in food, clinical and environmental samples, especially milk.

Keywords: food Pathogens, PCR technology, rapid and specific detection, staphylococcus aureus

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Authors: Ketaki D. Belsare, Nicholas F. Polizzi, Lior Shtayer, William F. DeGrado

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Nature utilizes metalloproteins to perform chemical transformations with activities and selectivities that have long been the inspiration for design principles in synthetic and biological systems. The chemical reactivities of metalloproteins are directly linked to local environment effects produced by the protein matrix around the metal cofactor. A complete understanding of how the protein matrix provides these interactions would allow for the design of functional metalloproteins. The de novo computational design of proteins have been successfully used in design of active sites that bind metals like di-iron, zinc, copper containing cofactors; however, precisely designing active sites that can bind small molecule ligands (e.g., substrates) along with metal cofactors is still a challenge in the field. The de novo computational design of a functional metalloprotein that contains a purposefully designed substrate binding site would allow for precise control of chemical function and reactivity. Our research strategy seeks to elucidate the design features necessary to bind the cofactor protoporphyrin IX (hemin) in close proximity to a substrate binding pocket in a four helix bundle. First- and second-shell interactions are computationally designed to control orientation, electronic structure, and reaction pathway of the cofactor and substrate. The design began with a parameterized helical backbone that positioned a single histidine residue (as an axial ligand) to receive a second-shell H-bond from a Threonine on the neighboring helix. The metallo-cofactor, hemin was then manually placed in the binding site. A structural feature, pi-bulge was introduced to give substrate access to the protoporphyrin IX. These de novo metalloproteins are currently being tested for their activity towards hydroxylation and epoxidation. The de novo designed protein shows hydroxylation of aniline to 4-aminophenol. This study will help provide structural information of utmost importance in understanding de novo computational design variables impacting the functional activities of a protein.

Keywords: metalloproteins, protein design, de novo protein, biocatalysis

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Authors: Abhishek N. Srivastava, Rahul Singh, Sumedha Chakma

Abstract:

The rapid urbanization in the developing countries is generating an enormous amount of waste leading to the creation of unregulated landfill sites at various places at its disposal. The liquid waste, known as leachate, produced from these landfills sites is severely affecting the surrounding water quality. The water quality in the proximity areas of the landfill is found affected by various physico-chemical parameters of leachate such as pH, alkalinity, total hardness, conductivity, chloride, total dissolved solids (TDS), total suspended solids (TSS), sulphate, nitrate, phosphate, fluoride, sodium and potassium, biological parameters such as biochemical oxygen demand (BOD), chemical oxygen demand (COD), Faecal coliform, and heavy metals such as cadmium (Cd), lead (Pb), iron (Fe), mercury (Hg), arsenic (As), cobalt (Co), manganese (Mn), zinc (Zn), copper (Cu), chromium (Cr), nickel (Ni). However, all these parameters are distributive in leachate that produced according to the nature of waste being dumped at various landfill sites, therefore, it becomes very difficult to predict the main responsible parameter of leachate for water quality contamination. The present study is endeavour the comparative analysis of the physical, chemical and biological parameters of various landfills in India viz. Okhla landfill, Ghazipur landfill, Bhalswa ladfill in NCR Delhi, Deonar landfill in Mumbai, Dhapa landfill in Kolkata and Kodungayaiyur landfill, Perungudi landfill in Chennai. The statistical analysis of the parameters was carried out using the Statistical Packages for the Social Sciences (SPSS) and LandSim 2.5 model to simulate the long term effect of various parameters on different time scale. Further, the uncertainties characterization of various input parameters has also been analysed using fuzzy alpha cut (FAC) technique to check the sensitivity of various water quality parameters at the proximity of numerous landfill sites. Finally, the study would help to suggest the best method for the prevention of pollution migration from the landfill sites on priority basis.

Keywords: landfill leachate, water quality, LandSim, fuzzy alpha cut

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Authors: Yara Saleh, Sebastien Antherieu, Romain Dusautoir, Jules Sotty, Laurent Alleman, Ludivine Canivet, Esperanza Perdrix, Pierre Dubot, Anne Platel, Fabrice Nesslany, Guillaume Garcon, Jean-Marc Lo-Guidice

Abstract:

Air pollution is one of the leading causes of premature death worldwide. Among air pollutants, particulate matter (PM) is a major health risk factor, through the induction of cardiopulmonary diseases and lung cancers. They are composed of coarse, fine and ultrafine particles (PM10, PM2.5, and PM0.1 respectively). Ultrafine particles are emerging unregulated pollutants that might have greater toxicity than larger particles, since they are more abundant and consequently have higher surface area per unit of mass. Our project aims to develop a relevant in vivo model of sub-chronic exposure to atmospheric particles in order to elucidate the specific respiratory impact of ultrafine particles compared to fine particulate matter. Quasi-ultrafine (PM0.18) and fine (PM2.5) particles have been collected in the urban industrial zone of Dunkirk in north France during a 7-month campaign, and submitted to physico-chemical characterization. BALB/c mice were then exposed intranasally to 10µg of PM0.18 or PM2.5 3 times a week. After 1 or 3-month exposure, broncho alveolar lavages (BAL) were performed and lung tissues were harvested for histological and transcriptomic analyses. The physico-chemical study of the collected particles shows that there is no major difference in elemental and surface chemical composition between PM0.18 and PM2.5. Furthermore, the results of the cytological analyses carried out show that both types of particulate fractions can be internalized in lung cells. However, the cell count in BAL and preliminary transcriptomic data suggest that PM0.18 could be more reactive and induce a stronger lung inflammation in exposed mice than PM2.5. Complementary studies are in progress to confirm these first data and to identify the metabolic pathways more specifically associated with the toxicity of ultrafine particles.

Keywords: environmental pollution, lung affect, mice, ultrafine particles

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Authors: Elizabeth Valenti

Abstract:

Objective: To date, there remains an absence of literature examining perceptions of mindfulness and mindful practices among college students, particularly among Christian students. The purpose of this mixed-methods, exploratory study was to gain a better understanding of students’ perception of mindfulness and assess current mindful practices. Methods: The mixed-methods, exploratory study examined data from freshmen undergraduate college students (N=107) enrolled in an introductory psychology course at a private, non-profit Christian university. Students completed a researcher-developed questionnaire containing both Likert and opened ended questions to assess knowledge about and perceptions of mindfulness, as well as current mindful practices. Results: Results of the thematic analysis revealed approximately half of the students had a limited understanding of mindfulness, with several reporting disadvantages. Most students listed prayer as a consistent practice, with a much smaller percentage of students consistently engaging in other mindful activities. Discussion: Implications for mindfulness education and the promotion of evidence-based methods, particularly in Christian communities, are discussed.

Keywords: mindfulness, mindful practices, perception, Christian, university students, mental health

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Authors: Agnieszka S. Dzielendziak, Lindsay-Marie Armstrong, Matthew E. Potter, Robert Raja, Pier J. A. Sazio

Abstract:

Reducing carbon dioxide, CO₂, is one of the greatest global challenges. Conversion of CO₂ for utilisation across synthetic fuel, pharmaceutical, and agrochemical industries offers a promising option, yet requires significant research to understanding the complex multiscale processes involved. To experimentally understand and optimize such processes at that catalytic sites and exploring the impact of the process at reactor scale, is too expensive. Computational methods offer significant insight and flexibility but require a more detailed multi-scale approach which is a significant challenge in itself. This work introduces a computational approach which incorporates detailed catalytic models, taken from experimental investigations, into a larger-scale computational flow dynamics framework. The reactor-scale species transport approach is modified near the catalytic walls to determine the influence of catalytic clustering regions. This coupling approach enables more accurate modelling of velocity, pressures, temperatures, species concentrations and near-wall surface characteristics which will ultimately enable the impact of overall reactor design on chemical conversion performance.

Keywords: catalysis, CCU, CO₂, multi-scale model

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Authors: D. P. Ray, L. Ammayappan, S. Debnath, R. K. Ghosh, D. Mondal, S. Dasgupta, S. Islam, S. Chakroborty, P. K. Ganguly, D. Nag

Abstract:

Nature being bountiful is generous enough to provide rich resources to mankind. These resources can be used as an alternative to synthetics, thereby reducing the chances of environmental pollution. Natural fibre based composites have emerged as a successful trend in recent automobile industry. Natural fibre based composites used in automobile industries not only reduces their fuel consumption but also do not pose any health hazards. In spite of the use of natural fibre based bio composite in automobile industries, its use is only being limited to interior products. However, its major drawbacks which contributed to limited scope in the field of industry are reduced durability and mechanical strength. Thereby, the use of natural fibre based bio composites as headliner in case of automobile industries is also not successfully deployed. Out of all the natural fibres available, jute can widely be used as automobile parts because of its easy availability, comparatively higher specific strength, lower density, low thermal conductivity and most importantly its non polluting and non abrasive nature. Various research outcomes in the field of jute based biocomposites for the use of automobile industries has not successfully being deployed due to certain inherent problem of the fibre. Jute being hydrophilic in nature is not readily adhered to the hydrophobic polyester resin. Therefore introduction of a chemical compatibilizer, in the preparation of jute based composites have been tested to enhance the mechanical and durable properties of the material to a greater extent. This present work therefore focuses on the synthesis of a suitable compatibilizer, acting as a chemical bridge between the polar jute fabric and the non polar resin matrix. This in turn results in imparting better interfacial bonding between the two, thereby inducing higher mechanical strength. These coupling treated fabrics are casted into composites and tested for their mechanical properties. The test reports show a remarkable change in all of its properties. The durability test was performed by soil burial test method.

Keywords: jute, automobile industry, biodegradability, chemical compatibilizer

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Authors: Ghada Ben Hamad, Zohir Younsi, Fabien Salaun, Hassane Naji, Noureddine Lebaz

Abstract:

The graphene oxide (GO) material has attracted much attention for solar energy applications. This paper reports the synthesis and characterization of partially oxidized graphite oxide (GTO). GTO was obtained by modified Hummers method, which is based on the chemical oxidation of natural graphite. Several samples were prepared with different oxidation degree by an adjustment of the oxidizing agent’s amount. The effect of the oxidation degree on the chemical structure and on the morphology of GTO was determined by using Fourier transform infrared (FT-IR) spectroscopy, Energy Dispersive X-ray Spectroscopy (EDS), and scanning electronic microscope (SEM). The thermal stability of GTO was evaluated by using thermogravimetric analyzer (TGA) in Nitrogen atmosphere. The results indicate high degree oxidation of graphite oxide for each sample, proving that the process is efficient. The GTO synthesized by modified Hummers method shows promising characteristics. Graphene oxide (GO) obtained by exfoliation of GTO are recognized as a good candidate for thermal energy storage, and it will be used as solid shell material in the encapsulation of phase change materials (PCM).

Keywords: modified hummers method, graphite oxide, oxidation degree, solar energy storage

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