Search results for: chemical kinetic

Authors: Azadeh Golshan, Craig Evans, Phillip Geary, Abigail Morrow, Zoe Rogers, Marcel Maeder

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22 physicochemical variables have been determined in water samples collected weekly from January to December in 2013 from three sampling stations located within a major drinking water reservoir. Classical Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) analysis was used to investigate the environmental factors associated with the physico-chemical variability of the water samples at each of the sampling stations. Matrix augmentation MCR-ALS (MA-MCR-ALS) was also applied, and the two sets of results were compared for interpretative clarity. Links between these factors, reservoir inflows and catchment land-uses were investigated and interpreted in relation to chemical composition of the water and their resolved geographical distribution profiles. The results suggested that the major factors affecting reservoir water quality were those associated with agricultural runoff, with evidence of influence on algal photosynthesis within the water column. Water quality variability within the reservoir was also found to be strongly linked to physical parameters such as water temperature and the occurrence of thermal stratification. The two methods applied (MCR-ALS and MA-MCR-ALS) led to similar conclusions; however, MA-MCR-ALS appeared to provide results more amenable to interpretation of temporal and geological variation than those obtained through classical MCR-ALS.

Keywords: drinking water reservoir, multivariate analysis, physico-chemical parameters, water quality

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Authors: Hamid Mohammadi, S. H. Eftekhar Afzali

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The irregular usage of chemical fertilizer cause different types of water and soil pollution and problems in health of human in past decades and organic fertilizer has been considered more and more. Mycorrhizal fungi have symbiosis with plant families and significantly effect on plant growth. Proper management of these symbiosis causes to reduce the usage of chemical fertilizers and absorb nutrition especially phosphor. Pistacia vera is endemic in Iran and is one of the most important products for this country. Considering special circumstances of pistachio orchards according to increasing salinity of water and soil and mismanagement of fertilizer reveals the necessity of the usage of Mycorrhizal fungi in these orchards.

Keywords: pistachio, mycorhiza, nutrition, salinity

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Authors: Ana Jurkeviciute, Larisa Grigorieva, Ksenia Moskvinа

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Oil shale alkylresorcinols are formed as a by-product in oil shale processing. They are unique raw material for chemical industry. Polycondensation resins obtaining is one of the worthwhile directions of oil shale alkylresorcinols use. These resins are widely applied in many branches of industry such as wood-working, metallurgic, tire, rubber products, construction etc. Possibility of resins obtaining using overall alkylresorcinols will allow to cheapen finished products on their base and to widen the range of resins offered on the market. Synthesis of polycondensation resins on the basis of alkylresorcinols was conducted by several methods in the process of investigations. In the formulations a part of resorcinol was replaced by fractions of oil shale alkylresorcinols containing different amount of 5-methylresorcinol (40-80 mass %). Some resins were modified by aromatic alkene at the stage of synthesis. Thermal stability and degradation behavior of resins were investigated by thermogravimetric analysis (TGA) method both in an inert nitrogen environment and in an oxidative environment of air. TGA integral curves were obtained and processed in dynamic mode for interval of temperatures from 25 to 830 °C. Rate of temperature rise was 5°C/min, gas flow rate - 50 ml/min. Resins power for carbonization was evaluated by carbon residue. Physical-chemical parameters of the resins were determined. Content of resorcinol and 5-methylresorcinol not reacted in the process of synthesis were determined by gas chromatography method.

Keywords: resorcinol, oil shale alkylresorcinols, aromatic alkene, polycondensation resins, modified resins

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Authors: N. P. G. N. Chandrasekara, R. M. Pashley

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Ion exchange (IEX) resins are commonly available as cationic or anionic resins but not as polyampholytic resins. This is probably because sequential acid and base washing cannot produce complete regeneration of polyampholytic resins with chemically attached anionic and cationic groups in close proximity. The ‘Sirotherm’ process, developed by the Commonwealth Scientific and Industrial Research Organization (CSIRO) in Melbourne, Australia was originally based on the use of a physical mixture of weakly basic (WB) and weakly acidic (WA) ion-exchange resin beads. These resins were regenerated thermally and they were capable of removing salts from an aqueous solution at higher temperatures compared to the salt sorbed at ambient temperatures with a significant reduction of the sorption capacity with increasing temperature. A new process for the efficient regeneration of mixed bead resins using ammonium bicarbonate with heat was studied recently and this chemical/thermal regeneration technique has the capability for completely regenerating polyampholytic resins. Even so, the low IEX capacities of polyampholytic resins restrict their commercial applications. Recently, we have established another novel process for increasing the IEX capacity of a typical polyampholytic resin. In this paper we will discuss the chemical/thermal regeneration of a polyampholytic (WA/WB) resin and a novel process for enhancing its ion exchange capacity, by increasing its internal pore area. We also show how effective this method is for completely recycled regeneration, with the potential of substantially reducing chemical waste.

Keywords: capacity, ion exchange, polyampholytic resin, regeneration

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Authors: Ekaterina Artiukhina, Panagiotis Grammelis

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Torrefaction of biomass pellets is considered as a useful pretreatment technology in order to convert them into a high quality solid biofuel that is more suitable for pyrolysis, gasification, combustion and co-firing applications. In the course of torrefaction the temperature varies across the pellet, and therefore chemical reactions proceed unevenly within the pellet. However, the uniformity of the thermal distribution along the pellet is generally assumed. The torrefaction process of a single cylindrical pellet is modeled here, accounting for heat transfer coupled with chemical kinetics. The drying sub-model was also introduced. The non-stationary process of wood pellet decomposition is described by the system of non-linear partial differential equations over the temperature and mass. The model captures well the main features of the experimental data.

Keywords: torrefaction, biomass pellets, model, heat, mass transfer

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Authors: Meisam Akbari, Seyed Hossein Elahi, Mohammad Mashadgarmeh

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In this study, the effect of nickel-electrode as a stainless steel buffer layer is considered. Then, the effect of dilution of the last layer of welding on two samples of steel plate A516 Gr70 (C-Mn-Si) with SMAW welding process was investigated. Then, in a sample, the ENI-cl nickel electrode was welded as the buffer layer and the E316L-16 electrode as the last layer of welding and another sample with an E316L-16 electrode in two layers. The chemical composition of the latter layer was determined by spectrophotometry method. The results indicate that the chemical composition of the latter layer is different and the lowest dilution rate is obtained using the nickel electrode.

Keywords: degree of dilution, C-Mn-Si, spectrometry, nickel electrode, stainless steel

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Authors: Juzhong Tan, William Kerr

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Roasting is one critical procedure in chocolate processing, where special favors are developed, moisture content is decreased, and better processing properties are developed. Therefore, determination of roasting degree of cocoa bean is important for chocolate manufacturers to ensure the quality of chocolate products, and it also decides the commercial value of cocoa beans collected from cocoa farmers. The roasting degree of cocoa beans currently relies on human specialists, who sometimes are biased, and chemical analysis, which take long time and are inaccessible to many manufacturers and farmers. In this study, a self-made electronic nose system consists of gas sensors (TGS 800 and 2000 series) was used to detecting the gas generated by cocoa beans with a different roasting degree (0min, 20min, 30min, and 40min) and the signals collected by gas sensors were used to train a three-layers ANN. Chemical analysis of the graded beans was operated by traditional GC-MS system and the contents of volatile chemical compounds were used to train another ANN as a reference to electronic nosed signals trained ANN. Both trained ANN were used to predict cocoa beans with a different roasting degree for validation. The best accuracy of grading achieved by electronic nose signals trained ANN (using signals from TGS 813 826 820 880 830 2620 2602 2610) turned out to be 96.7%, however, the GC trained ANN got the accuracy of 83.8%.

Keywords: artificial neutron network, cocoa bean, electronic nose, roasting

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Authors: A. K. Paul, Vinod Kumar

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Lead free magnetoelectric (ME) nanoparticulate (1−x) BNT-BKT-BMgT−x CFO (x = 0, 0.1, 0.2, 0.3) composite films were synthesized using chemical solution deposition method. The X-ray diffraction and transmission electron microscope (TEM) reveal that CFO nanoparticles were well distributed in the matrix of BNT-BKT-BMgT. The nanocomposite films exhibit both good magnetic and ferroelectric properties at room temperature (R-T). It is concluded that the modulation in compositions of piezomagnetic/piezoelectric components plays a fundamental role in the magnetoelectric coupling in these nanoparticulate composite films. These ME composites provide a great opportunity as potential lead-free systems for ME devices.

Keywords: lead free multiferroic, nanocomposite, ferroelectric, ferromagnetic and magneto-electric properties

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Authors: Elvin Çomo, Edlira Tako, Albana Hasimi, Rrapo Ormeni, Olger Gjuzi, Mirela Ndrita

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In Albania, only low enthalpy geothermal springs and wells are known, the temperatures of some of them are almost at the upper limits of low enthalpy, reaching over 60°C. These resources can be used to improve the country's energy balance, as well as for profitable economic purposes. The region of Elbasan has the greatest geothermal energy potential in Albania. This bass is one of the most popular and used in our country. This area is a surface with a number of sources, located in the form of a chain, in the sector between Llixha and Hidraj and constitutes a thermo-mineral basin with stable discharge and high temperature. The sources of Elbasan Springs, with the current average flow of thermo mineral water of 12-18 l/s and its temperature 55-65oC, have specific reserves of 39.6 GJ/m2 and potential power to install 2760 kW. For the assessment of physico-chemical parameters and heavy metals, water samples were taken at 5 monitoring stations throughout the year 2022. The levels of basic parameters were analyzed using ISO, EU and APHA 21-th edition standard methods. This study presents the current state of the physico-chemical parameters of this thermal basin, the evaluation of these parameters for curative activities and for industrial processes, as well as the integrated utilization of geothermal energy. Possibilities for using thermomineral waters for heating homes in the area around them or even further, depending on the flow from the source or geothermal well. Sensitization of Albanian investors, medical research and the community for the high economic and curative effectiveness, for the integral use of geothermal energy in this area and the development of the tourist sector. An analysis of the negative environmental impact from the use of thermal water is also provided.

Keywords: geothermal energy, Llixha, physic-chemical parameters, thermal water

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Authors: Muhammad Tariq, Bushra Siddique, Muhammad Naeem, Asim Gulzar

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The chemical ecology of natural enemies can play a pivotal role in any Integrated Pest Management (IPM) program. Different chemical cues help to correspond in the diversity of associations between prey and host plant species. Coccinellaseptempunctata and Diaeretiellarapae have the abilities to explore several chemical cues released by plants under herbivore attack that may enhance their efficiency of foraging. In this study, the behavioral responses of Coccinellaseptempunctata and Diaeretiellarapae were examined under the application of two semiochemicals and a plant extract and their combinations using four-arm olfactometer. The bioassay was consists of a pairwise treatment comparison. Data pertaining to the preference of C. septempunctata and D. rapae after treatment application were recorded and analyzed statistically. The mean number of entries and time spent of Coccinellaseptempunctata and D. rapaewere greater in arms treated with E-β-Farnesene. However, the efficacy of E-β-Farnesene was enhanced when combined with β-pinene. Thus, the mean number of entries and time spent of C. septempunctata and D. rapaewere highest in arms treated with the combination of E-β-Farnesene x β-pinene as compared with other treatments. The current work has demonstrated that the insect-derived semiochemicals may enhance the efficacy of natural enemies when applied in combination.

Keywords: olfectometer, parasitoid, predator, preference

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Authors: B. Roopa Sri, Y Lakshmi Naidu

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Chemical Graph Theory (CGT) is the branch of mathematical chemistry in which molecules are modeled to study their physicochemical properties using molecular descriptors. Amongst these descriptors, topological indices play a vital role in predicting the properties by defining the graph topology of the molecule. Recently, the bond-additive topological index known as the Mostar index has been proposed. In this paper, we compute the Mostar-type indices of octane isomers and use the data obtained to perform QSPR analysis. Furthermore, we show the correlation between the Mostar type indices and the properties.

Keywords: chemical graph theory, mostar type indices, octane isomers, qspr analysis, topological index

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Authors: Sandra C. L. Dorea, Joann K. Whalen, Yixin Shao, Oumarou Savadogo

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The major challenge for industries that rely on fossil fuels in manufacturing processes or to provide goods and services is to lower their CO2 emissions, as the case for the manufacture of Portland cement. Feasible materials for this purpose can include agro-industrial or agricultural wastes, which are termed 'biosilica' since the silica was contained in a biological matrix (biomass). Corn cob (CC) has some characteristics that make it a good candidate as biosilica source: 1) it is an abundant grain crop produced around the world; 2) more production means more available residues is left in the field to be used. This work aims to evaluate the CC collected from different farms in Canada during the corn harvest in order to see if they can be used together as a biosilica source. The characterization of the raw CC was made in the physical, chemical, and thermal way. The moisture content, the granulometry, and the morphology were also analyzed. The ash content measured was 2,1%. The Thermogravimetric Analysis (TGA) and its Derivative (DTG) evaluated of CC as a function of weight loss with temperature variation ranging between 30°C and 800°C in an atmosphere of N2. The chemical composition and the presence of silica revealed that the different sources of the CC do not interfere in its basic chemical composition, which means that this kind of waste can be used together as a source of biosilica no matter where they come from. Then, this biosilica can partially replace the cement Portland making sustainable cementitious mixtures and contributing to reduce the CO2 emissions.

Keywords: biosilica, characterization, corn cob, sustainable cementitious materials

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Authors: C. Recchia, M. Bourel, B. Recchia

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Microorganisms (viruses, bacteria, fungi) are responsible for most communicable diseases, threatening human health. For domestic use, chemical agents are often criticized because of their potential dangerousness, and natural solutions are needed. Application of the “dry microfine steam” (DMS) technology was tested on a selection of common pathogens (SARS-CoV-2, enterovirus EV-71, human coronavirus 229E, E. coli, S. aureus, C. albicans), on different innate surfaces, for 5 to 10 seconds. Quantification of the remaining pathogens was performed, and the reduction rates ranged from 99.8% (S. aureus on plastic) to over 99.999%. DMS showed high efficacy in the elimination of common microorganisms and could be seen as a natural alternative to chemical agents to improve domestic hygiene.

Keywords: steam, SARS-CoV-2, bactericidal, virucidal, fungicidal, sterilization

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Authors: Okuyade Ighoroje Wilson Ata

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Magneto-hydrodynamic mixed convective chemically reacting fluid flow through two parallel vertical plates channel with Hall, radiation, and chemical reaction effects are examined. The fluid is assumed to be chemically reactive, electrically conducting, magnetically susceptible, viscous, incompressible, and Newtonian; the plates are porous, electrically conductive, and heated to a high-temperature regime to generate thermal rays. The flow system is highly interactive, such that cross/double diffusion is present. The governing equations are partial differential equations transformed into ordinary differential equations using similarity transformation and solved by the method of Homotopy Perturbation. Expressions for the concentration, temperature, velocity, Nusselt number, Sherwood number, and Wall shear stress are obtained, computed, and presented graphically and tabularly. The analysis of results shows, amongst others, that an increase in the Raleigh number increases the main velocity and temperature but decreases the concentration. More so, an increase in chemical reaction rate increases the main velocity, temperature, rate of heat transfer from the terminal plate, the rate of mass transfer from the induced plate, and Wall shear stress on both the induced and terminal plates, decreasing the concentration, and the mass transfer rate from the terminal plate. Some of the obtained results are benchmarked with those of existing literature and are in consonance.

Keywords: chemical reaction, hall effect, magneto-hydrodynamic, radiation, vertical plates channel

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Authors: Chia Wei Lim, Ning Yan

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The subject of reactor design, dealing with the transformation of chemical feedstocks into more valuable products, constitutes the central idea of chemical engineering. Despite its importance, the way it is taught to chemical engineering undergraduates has stayed virtually the same over the past several decades, even as the chemical industry increasingly leans towards the use of software for the design and daily monitoring of chemical plants. As such, there has been a widening learning gap as chemical engineering graduates transition from university to the industry since they are not exposed to effective platforms that relate the fundamental concepts taught during lectures to industrial applications. While the success of technology enhanced learning (TEL) has been demonstrated in various chemical engineering subjects, TELs in the teaching of reactor design appears to focus on the simulation of reactor processes, as opposed to arguably more important ideas such as the selection and optimization of reactor configuration for different types of reactions. This presents an opportunity for us to utilize the readily available easy-to-use MATLAB App platform to create an educational tool to aid the learning of fundamental concepts of reactor design and to link these concepts to the industrial context. Here, interactive software for the learning of reactor design has been developed to narrow the learning gap experienced by chemical engineering undergraduates. Dubbed the ReactorDesign App, it enables students to design reactors involving complex design equations for industrial applications without being overly focused on the tedious mathematical steps. With the aid of extensive visualization features, the concepts covered during lectures are explicitly utilized, allowing students to understand how these fundamental concepts are applied in the industrial context and equipping them for their careers. In addition, the software leverages the easily accessible MATLAB App platform to encourage self-directed learning. It is useful for reinforcing concepts taught, complementing homework assignments, and aiding exam revision. Accordingly, students are able to identify any lapses in understanding and clarify them accordingly. In terms of the topics covered, the app incorporates the design of different types of isothermal and non-isothermal reactors, in line with the lecture content and industrial relevance. The main features include the design of single reactors, such as batch reactors (BR), continuously stirred tank reactors (CSTR), plug flow reactors (PFR), and recycle reactors (RR), as well as multiple reactors consisting of any combination of ideal reactors. A version of the app, together with some guiding questions to aid explorative learning, was released to the undergraduates taking the reactor design module. A survey was conducted to assess its effectiveness, and an overwhelmingly positive response was received, with 89% of the respondents agreeing or strongly agreeing that the app has “helped [them] with understanding the unit” and 87% of the respondents agreeing or strongly agreeing that the app “offers learning flexibility”, compared to the conventional lecture-tutorial learning framework. In conclusion, the interactive ReactorDesign App has been developed to encourage self-directed explorative learning of the subject and demonstrate the industrial applications of the taught design concepts.

Keywords: explorative learning, reactor design, self-directed learning, technology enhanced learning

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Authors: Abhishek Kumar, Mohamed Awadein, Georg Gramse, Luyang Song, He Sun, Wolfgang Schofberger, Stefan Müllegger

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Electron transfer is a crucial part of chemical reactions which drive everyday processes. With the help of an electro-chemical radio frequency scanning tunneling microscopy (EC-RF-STM) setup, we are observing single electron mediated oxidation-reduction processes in molecules like ferrocene and transition metal corroles. Combining the techniques of scanning microwave microscopy and cyclic voltammetry allows us to monitor such processes with attoampere sensitivity. A systematic study of such phenomena would be critical to understanding the nano-scale behavior of catalysts, molecular sensors, and batteries relevant to the development of novel material and energy applications.

Keywords: radiofrequency, STM, cyclic voltammetry, ferrocene

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Authors: Md Kamruzzaman, Lyazid Djenidi, R. A. Antonia

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This paper reports an experimental investigation of the energy spectrum of turbulent velocity fields at low Reynolds numbers ( Rλ ) in grid turbulence. Hot wire measurements are carried out in grid turbulence with subjected to a 1.36:1 contraction of the wind tunnel. Three different grids are used: (i) large square perforated grid (mesh size 43.75 mm), (ii) small square perforated grid (mesh size 14 and (iii) woven mesh grid (mesh size 5mm). The results indicate that the energy spectrum at small Rλ does not follow Kolmogorov’s universal scaling. It is further found that the critical Reynolds number,Rλ,ϲ below which the scaling breaks down is around 25.

Keywords: energy spectrum, Taylor microscale, Reynolds number, turbulent kinetic energy, decay exponent

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Authors: Sozan H. Omar, Lina L. Al-Rewaili

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The current study aimed to measure the fifth Grade student skills of reading illustrates in physical and chemical chapter included in science textbook, as well as identity the tasks the dispersants related to designing these illustrates which obstruct the students to read them properly. The researcher applied the test instrument of open discuss questions to measure the skill of: recognizing, description, interpretation and assessment for a sample of this research consisted of (269) students who read three illustrates, and conduct an interview with sample of them (27) students to recognize the dispersants related to designing of these illustrates. The study results showed that there are poor levels in illustrated drawing reading skills: description, interpretation, and assessment. The most important dispersants which obstruct the students to read theses illustrates properly representing: Art impacts of these illustrates, there are some elements which don’t serve these illustrates. In the light of the above results, the researcher provided some recommendations such as training the students on using the images and illustrates properly in science textbooks, as well as create simple designs of illustrates and they should be free of crowded elements and impacts which don’t serve the illustrates.

Keywords: reading illustrated drawings skills, fifth grade science, physical and chemical changes

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Authors: Yasir Arafat, Asma Shah, Hua Shao

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Background and Aims: Legume/cereal intercropping is used worldwide for enhancement in biomass and yield of cereal crops. However, because of intercropping, the belowground biological and chemical interactions and their effect on physiological parameters and yield of crops are limited. Methods: Wheat faba bean (WF) intercropping was designed to understand the underlying changes in the soil's chemical environment, soil microbial communities, and effect on growth and yield parameters. Experimental plots were established as having no root partition (NRP), semi-root partition (SRP), complete root partition (CRP), and their sole cropping (CK). Low molecular weight organic acids (LMWOAs) were determined by GC-MS, and high throughput sequencing of the 16S rRNA gene was carried out to screen microbial structure and composition in different root partitions of the WF intercropping system. Results: We show that intercropping induced a shift in the relative abundance of some genera of plant growth promoting rhizobacteria (PGPR) such as Allorhizobium, Neorhizobium, Pararhizobium, and Rhizobium species and resulted in better growth and yield performance of wheat. Moreover, as the plant's distance of wheat from faba beans decreased, the diversity of microbes increased, and a positive effect was observed on physiological traits and crop yield. Furthermore, an abundance and positive correlations of palmitic acid, arachidic acid, stearic acid, and 9-Octadecenoic with PGPR were recorded in the root zone of WF intercropping, which can play an important role in this facilitative mechanism of enhancing growth and yield of cereals. Conclusion: The two treatments clearly affected soil microbial and chemical composition, which can be reflected in growth and yield enhancement.

Keywords: intercropping, microbial community, LMWOAs, PGPR, soil chemical environment

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Authors: Chen-Fu Wang, Lin-Ya Kung

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For traditional painting materials, the artisan used to combine the pigments with different binders to create colors. As time goes by, the materials used for painting evolved from natural to chemical materials. The vast variety of ingredients used in chemical materials has complicated restoration work; it makes conservation work more difficult. Conservation work also becomes harder when the materials cannot be easily identified; therefore, it is essential that we take a more scientific approach to assist in conservation work. Paintings materials are high molecular weight polymer, and their analysis is very complicated as well other contamination such as smoke and dirt can also interfere with the analysis of the material. The current methods of composition analysis of painting materials include Fourier transform infrared spectroscopy (FT-IR), mass spectrometer, Raman spectroscopy, X-ray diffraction spectroscopy (XRD), each of which has its own limitation. In this study, FT-IR was used to analyze the components of the paint coating. We have taken the most commonly seen materials as samples and deteriorated it. The aged information was then used for the database to exam the temple painting materials. By observing the FT-IR changes over time, we can tell all of the painting materials will be deteriorated by the UV light, but only the speed of its degradation had some difference. From the deterioration experiment, the acrylic resin resists better than the others. After collecting the painting materials aging information on FT-IR, we performed some test on the paintings on the temples. It was found that most of the artisan used tune-oil for painting materials, and some other paintings used chemical materials. This method is now working successfully on identifying the painting materials. However, the method is destructive and high cost. In the future, we will work on the how to know the painting materials more efficiently.

Keywords: temple painting, painting material, conservation, FT-IR

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Authors: Nisha Dhariwal, Anupama Sharma

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The synthesis of cellulose nanofibrils quaternized with 3‐chloro‐2‐hydroxypropyltrimethylammonium chloride (CHPTAC) in NaOH/urea aqueous solution has been reported. Xylenol Orange (XO) has been used as an indicator for selective detection of Sn (II) ions, by its immobilization on quaternized cellulose membrane. The effects of pH, reagent concentration and reaction time on the immobilization of XO have also been studied. The linear response, limit of detection, and interference of other metal ions have also been studied and no significant interference has been observed. The optical chemical sensor displayed good durability and short response time with negligible leaching of the reagent.

Keywords: cellulose, chemical sensor, heavy metal ions, indicator immobilization

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Authors: Intisar S. A. Elzein

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In Saudi Arabia parts of Nigella sativa, and Calotropis procera are commonly used in folk medicine for the treatment of asthma, bronchitis, cough, eczema and other diseases. The purpose of the study is to identify chemical constituents of Nigella sativa seed and Calotropis procera leave isolated by the bioassay guided fractionation process and find out their relevance to the alleged efficacy of the plant in treating asthma. The medicinal properties of both plants for asthma treatment referred to the rich abundance of thymoquinone and phytol compounds isolated from the essential oil of their seed and leave extracts, which they can form a part of molecules of vitamin K.

Keywords: asthma, Calotropis procera, chemical constituents, Nigella sativa, vitamin K

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Authors: Kirill D. Kapustin, Mikhail B. Krasilnikov, Anatoly A. Kudryavtsev

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Physical formation mechanisms of differential electron fluxes is high pressure positive column gas discharge are discussed. It is shown that the spatial differential fluxes of the electrons are directed both inward and outward depending on the energy relaxation law. In some cases the direction of energy differential flux at intermediate energies (5-10eV) in whole volume, except region near the wall, appeared to be down directed, so electron in this region dissipate more energy than gain from axial electric field. Paradoxical behaviour of electron flux in spatial-energy space is presented.

Keywords: plasma kinetics, electron distribution function, excitation and radiation rates, local and nonlocal EDF

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Authors: Nneka Osuchukwu, Leonid Shpanin

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The concept of converting the kinetic energy of quadcopter propellers into electrical energy is considered in this contribution following the feasibility study of the propeller vibrations, theoretical energy conversion, and simulation techniques. Analysis of the propeller vibration performance is presented via graphical representation of calculated and simulated parameters, in order to demonstrate the possibility of recovering the harvested energy from the propeller vibrations of the quadcopter while the quadcopter is in operation. Consideration of using piezoelectric materials in such concept, converting the mechanical energy of the propeller into the electrical energy, is given. Photographic evidence of the propeller in operation is presented and discussed together with experimental results to validate the theoretical concept.

Keywords: energy harvesting, piezoelectric material, propeller vibration, unmanned aerial vehicle

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Authors: Mona Marzouk, Nesrine Hegazi, Aliaa Ragheb, Mona El Shabrawy, Salwa Kawashty

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The whole plant of Matthiola longipetala (Brassicaceae) was extracted by 70% methanol to give the total aqueous methanol extract (AME), which was defatted by hexane yielded hexane extract (HE) and defatted AME (DAME). HE was analyzed through GC/MS assay and revealed the detection of 28 non-polar compounds. In addition, the chemical investigation of DAME led to the isolation and purification of twelve flavonoids and three chlorogenic acids. Their structures were interpreted through chemical (complete and partial acid hydrolysis) and spectroscopic analysis (MS, UV, 1D and 2D NMR). Among them, nine compounds have been isolated for the first time from M. longipetala. Moreover, LC-ESI-MS analysis of DAME was achieved to detect additional 46 metabolites, including phospholipids, organic acids, phenolic acids and flavonoids. The biological activity of AME, HE and DAME against alloxan inducing oxidative stress and diabetes in male rats was investigated. Diabetes was induced using a single dose of Alloxan (150 mg/kg b.wt.). HE and DAME significantly increased serum GSH content in rats (37.3±0.7 and 35.9±0.6 mmol/l) compared to diabetic rats (21.8±0.3) and vitamin E (36.2±1.1) at P<0.01. Also, HE, DAME and AME revealed a significant acute anti-hyperglycemic effect potentiated after four weeks of treatment with blood glucose levels of 96.2±5.4, 98.7±6.1 and 98.9±8.6 mg/dl, respectively, compared to diabetic rats (263.4±7.8) and metaformin group (81.9±2.4) at P<0.01.

Keywords: Brassicaceae, Flavonoid, LCMS/MS, Matthiola

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Authors: Samira Melki, Moncef Gueddari

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In Tunisia, solid wastes storage continue to be uncontrolled. It is eliminated by land raising without any protection measurement against water table and soil contamination. Several industries are located in Sfax area, especially those of the Tunisian Chemical Group (TCG) for the enrichment and transformation of phosphate. The activity of the TCG focuses primarily on the production of chemical fertilizers and phosphoric acid, by transforming natural phosphates. This production generates gaseous emissions, liquid discharges and huge amounts of phosphogypsum (PG) stored directly on the soil surface. Groundwater samples were collected from Tunisian Chemical Group (TCG) site, to assess the effects of phosphogypsum leatchate on groundwater quality. The measurements of various physicochemical parameters including heavy metals (Al, Fe, Zn and F) and stable isotopes of the water molecule (¹⁸O, ²H) were determined in groundwater samples and are reported. The moderately high concentrations of SO₄⁼, Ortho-P, NH₄⁺ Al and F⁻ in groundwater particularly near to the phosphogypsum storage site, likely indicate that groundwater quality is being significantly affected by leachate percolation. The effect of distance of the piezometers from the pollution source was also investigated. The isotopic data of water molecule, showed that the waters of the Sfax-Agreb aquifer amount to recent-evaporation induced rainfall.

Keywords: phosphogypsum leatchate, groundwater quality, pollution, stable isotopes, Sfax-Agareb, Tunisia

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Authors: Farah Marsusi, Mohammad Qasemnazhand

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Density-functional theory (DFT) was applied to investigate the geometry and electronic properties H-terminated Si-fullerene (Si-fullerane). Natural bond orbital (NBO) analysis confirms sp3 hybridization nature of Si-Si bonds in Si-fulleranes. Quantum confinement effect (QCE) does not affect band gap (BG) so strongly in the size between 1 to 1.7 nm. In contrast, the geometry and symmetry of the cage have significant influence on BG. In contrast to their carbon analogues, pentagon rings increase the stability of the cages. Functionalized Si-cages are stable and can be chemically very active. The electronic properties are highly sensitive to the surface chemistry via functionalization with different chemical groups. As a result, BGs and chemical activities of these cages can be drastically tuned through the chemistry of the surface.

Keywords: density functional theory, sila-fullerens, NBO analysis, opto-electronic properties

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Authors: Amani Tahat, Serdal Kirmizialtin

Abstract:

Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.

Keywords: milestoning, self organizing map, single linkage, structure clustering

Procedia PDF Downloads 224

Authors: S. Ebadzadsahraei, H. Kazemian

Abstract:

The main objective of this research was to measure particulate matter (PM₂.₅) and Volatile Organic Compound (VOCs) as two classes of air pollutants, at Prince George (PG) neighborhood in warm and cold seasons. To fulfill this objective, analytical protocols were developed for accurate sampling and measurement of the targeted air pollutants. PM₂.₅ samples were analyzed for their chemical composition (i.e., toxic trace elements) in order to assess their potential source of emission. The City of Prince George, widely known as the capital of northern British Columbia (BC), Canada, has been dealing with air pollution challenges for a long time. The city has several local industries including pulp mills, a refinery, and a couple of asphalt plants that are the primary contributors of industrial VOCs. In this research project, which is the first study of this kind in this region it measures physical and chemical properties of particulate air pollutants (PM₂.₅) at the city neighborhood. Furthermore, this study quantifies the percentage of VOCs at the city air samples. One of the outcomes of this project is updated data about PM₂.₅ and VOCs inventory in the selected neighborhoods. For examining PM₂.₅ chemical composition, an elemental analysis methodology was developed to measure major trace elements including but not limited to mercury and lead. The toxicity of inhaled particulates depends on both their physical and chemical properties; thus, an understanding of aerosol properties is essential for the evaluation of such hazards, and the treatment of such respiratory and other related diseases. Mixed cellulose ester (MCE) filters were selected for this research as a suitable filter for PM₂.₅ air sampling. Chemical analyses were conducted using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) for elemental analysis. VOCs measurement of the air samples was performed using a Gas Chromatography-Flame Ionization Detector (GC-FID) and Gas Chromatography-Mass Spectrometry (GC-MS) allowing for quantitative measurement of VOC molecules in sub-ppb levels. In this study, sorbent tube (Anasorb CSC, Coconut Charcoal), 6 x 70-mm size, 2 sections, 50/100 mg sorbent, 20/40 mesh was used for VOCs air sampling followed by using solvent extraction and solid-phase micro extraction (SPME) techniques to prepare samples for measuring by a GC-MS/FID instrument. Air sampling for both PM₂.₅ and VOC were conducted in summer and winter seasons for comparison. Average concentrations of PM₂.₅ are very different between wildfire and daily samples. At wildfire time average of concentration is 83.0 μg/m³ and daily samples are 23.7 μg/m³. Also, higher concentrations of iron, nickel and manganese found at all samples and mercury element is found in some samples. It is able to stay too high doses negative effects.

Keywords: air pollutants, chemical analysis, particulate matter (PM₂.₅), volatile organic compound, VOCs

Procedia PDF Downloads 142

Authors: Saleh Mobasseri, Mohammad Mobasseri

Abstract:

The article refers to the history of the rise of brake system and described it’s importance in passenger’s lives. The disc brake system performance and ABS are also compared with each other by the kinetic and kinematic analysis of the braking system,and evaluate the impact of each parameters is checked on the vehicle stopping distance. Anti−lock braking system (ABS) is one of the most important features that affect on vehicle safety and for this reason much efforts have been made to improve this system. The objectives of the anti−lock system (ABS) are as follows: Preventing the wheels from locking, achieving maximum technical momentum in terms of braking,stability,reducing stopping distances. In this paper,we study the comparative of ABS brake and disc brake.

Keywords: anti−lock braking System (ABS), stopping distances, booster, car stability, force exerted on the brake pedal

Procedia PDF Downloads 398