Search results for: quantum chemical methods

Authors: Nicola G. G. Cecca

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In Italian IPSSEOAs, high schools that give a vocational education to students that will work in the field of Enogastronomy and Hotel Management, the course of Food Science allows the students to start and see food as a mixture of substances that they will transform during their profession. These substances are characterized not only by a chemical composition but also by a molecular structure that makes them nutritionally active. But the increasing number of new products proposed by Food Industry, the modern techniques of production and transformation, the innovative preparations required by customers have made many information reported in the most wide spread Food Science textbooks not up-to-date or too poor for the people who will work in catering sector. Often Authors offer information aged to Bohr’s Atomic Model and to the ‘Octet Rule’ proposed by G.N. Lewis to describe the Chemical Bond, without giving any reference to new as Orbital Atomic Model and Molecular Orbital Theory that, in the meantime, start to be old themselves. Furthermore, this antiquated information precludes an easy understanding of a wide range of properties of nutritive substances and many reactions in which the food constituents are involved. In this paper, our attention is pointed out to use GEOMAG™ to represent the dynamics with which the chemical bond is formed during the synthesis of the molecules. GEOMAG™ is a toy, produced by the Swiss Company Geomagword S.A., pointed to stimulate in children, aged between 6-10 years, their fantasy and their handling ability and constituted by metallic spheres and metallic magnetic bars coated by coloured plastic materials. The simulation carried out with GEOMAG™ is based on the similitude existing between the Coulomb’s force and the magnetic attraction’s force and in particular between the formulae with which they are calculated. The electrostatic force (F in Newton) that allows the formation of the chemical bond can be calculated by mean Fc = kc q1 q2/d2 where: q1 e q2 are the charge of particles [in Coulomb], d is the distance between the particles [in meters] and kc is the Coulomb’s constant. It is surprising to observe that the attraction’s force (Fm) acting between the magnetic extremities of GEOMAG™ used to simulate the chemical bond can be calculated in the same way by using the formula Fm = km m1 m2/d2 where: m1 e m2 represent the strength of the poles [A•m], d is the distance between the particles [m], km = μ/4π in which μ is the magnetic permeability of medium [N•A-2]. The magnetic attraction can be tested by students by trying to keep the magnetic elements of GEOMAG™ separate by hands or trying to measure by mean an appropriate dynamometric system. Furthermore, by using a dynamometric system to measure the magnetic attraction between the GEOMAG™ elements is possible draw a graphic F=f(d) to verify that the curve obtained during the simulation is very similar to that one hypnotized, around the 1920’s by Linus Pauling to describe the formation of H2+ in according with Molecular Orbital Theory.

Keywords: chemical bond, molecular orbital theory, magnetic attraction force, GEOMAG™

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Authors: Sabolč Pap, Srđana Kolaković, Jelena Radonić, Ivana Mihajlović, Dragan Adamović, Mirjana Vojinović Miloradov, Maja Turk Sekulić

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Activated carbon is one of the most used and tested adsorbents in the removal of industrial organic compounds, heavy metals, pharmaceuticals and dyes. Different types of lignocellulosic materials were used as potential precursors in the production of low cost activated carbon. There are, two different processes for the preparation and production of activated carbon: physical and chemical. Chemical activation includes impregnating the lignocellulosic raw materials with chemical agents (H3PO4, HNO3, H2SO4 and NaOH). After impregnation, the materials are carbonized and washed to eliminate the residues. The chemical activation, which was used in this study, has two important advantages when compared to the physical activation. The first advantage is the lower temperature at which the process is conducted, and the second is that the yield (mass efficiency of activation) of the chemical activation tends to be greater. Preparation of activated carbon included the following steps: apricot stones were crushed in a mill and washed with distilled water. Later, the fruit stones were impregnated with a solution of 50% H3PO4. After impregnation, the solution was filtered to remove the residual acid. Subsequently impregnated samples were air dried at room temperature. The samples were placed in a furnace and heated (10 °C/min) to the final carbonization temperature of 500 °C for 2 h without the use of nitrogen. After cooling, the adsorbent was washed with distilled water to achieve acid free conditions and its pH was monitored until the filtrate pH value exceeded 4. Chemical characterizations of the prepared activated carbon were analyzed by FTIR spectroscopy. FTIR spectra were recorded with a (Thermo Nicolet Nexus 670 FTIR) spectrometer, from 400 to 4000 cm-1 wavenumbers, identifying the functional groups on the surface of the activated carbon. The FTIR spectra of adsorbent showed a broad band at 3405.91 cm-1 due to O–H stretching vibration and a peak at 489.00 cm-1 due to O–H bending vibration. Peaks between the range of 3700 and 3200 cm−1 represent the overlapping peaks of stretching vibrations of O–H and N–H groups. The distinct absorption peaks at 2919.86 cm−1 and 2848.24 cm−1 could be assigned to -CH stretching vibrations of –CH2 and –CH3 functional groups. The adsorption peak at 1566.38 cm−1 could be characterized by primary and secondary amide bands. The sharp bond within 1164.76 – 987.86 cm−1 is attributed to the C–O groups, which confirms the lignin structure of the activated carbon. The present study has shown that the activated carbons prepared from apricot stone have a functional group on their surface, which can positively affect the adsorption characteristics with this material.

Keywords: activated carbon, FTIR, H3PO4, lignocellulosic raw materials

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Authors: Othman Saoudi

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In this work, we have interested in the investigation of the chemical denaturants and synthesized ionic liquids effects on the fluorescence properties of the laccase from Trametes versicolor. The fluorescence properties of the laccase result from the presence of Tryptophan, which has an aromatic core responsible for the absorption in ultra violet domain and the emission of the photons of fluorescence. The effect Pyrrolidinuim Formate ([pyrr][F]) and Morpholinium Formate ([morph][F]) ionic liquids on the laccase behavior for various volumetric fractions are studied. We have shown that the fluorescence spectrum relative to the [pyrr][F] presents a single band with a maximum around 340 nm and a secondary peak at 361 nm for a volumetric fraction of 20% v/v. For concentration superiors to 40%, the fluorescence intensity decreases and a displacement of the peaks toward higher wavelengths has occurred. For the [morph][F], the fluorescence spectrum showed a single band around 340 nm. The intensity of the principal peak decreases for concentration superiors to 20% v/v. From the plot representing the variation of the λₘₐₓ versus the volumetric concentration, we have determined the concentration of the half-transitions C1/2. These concentrations are equal to 42.62% and 40.91% v/v in the presence of [pyrr][F] and [morph][F] respectively. For the chemical denaturation, we have shown that the fluorescence intensity decreases with increasing denaturant concentrations where the maximum of the wavelength of emission shifts toward the higher wavelengths. We have also determined from the spectrum relative to the urea and GdmCl, the unfolding energy, ∆GD. The results show that the variation of the unfolding energy as a function of the denaturant concentrations varies according to the linear regression model. We have demonstrated also that the half-transitions C1/2 have occurred for urea and GdmCl denaturants concentrations around 3.06 and 3.17 M respectively.

Keywords: laccase, fluorescence, ionic liquids, chemical denaturants

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Authors: Haba Hamada, Lavaud Cathrine, Benkhaled Mohammed

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The Silene genus is the most representative of the caryophyllaceae family for their rich content in secondary metabolites; saponins, flavonoids and flavonoids glycosides, phytoecdysones, oligosaccharides have been isolated and identified. The Silene genus represented by about 700 species in the temrerate region of the word, the main concentration of spcies is Europe, Asia and North Africa. Three known compounds 1-3 were isolated from the aerial parts of Silene arenarioides Desf. by using different chromatographic methods. The structures of the isolated compounds were determined as stigmasterolglycoside, Soyacerebroside, maltol glycoside. The structures of the isolated compounds were determined by using the NMR (1H-NMR, 13C-NMR, COSY, HSQC, and HMBC) techniques and mass spectroscopy. The antimicrobial and antioxydant activities of the different extracts and compound have been reported.

Keywords: caryophyllaceae, flavonoids, saponosids, flavonoids glycosides

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Authors: Maryam Enteshari, Kooshan Nayebzadeh, Abdorreza Mohammadi

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In this study, the oxidative stability of soybean oil under different storage temperatures (4 and 25˚C) and during 6-month shelf-life was investigated by various analytical methods and headspace-liquid phase microextraction (HS-LPME) coupled to gas chromatography-mass spectrometry (GC-MS). Oxidation changes were monitored by analytical parameters consisted of acid value (AV), peroxide value (PV), p-Anisidine value (p-AV), thiobarbituric acid value (TBA), fatty acids profile, iodine value (IV), and oxidative stability index (OSI). In addition, concentrations of hexanal and heptanal as secondary volatile oxidation compounds were determined by HS-LPME/GC-MS technique. Rate of oxidation in soybean oil which stored at 25˚C was so higher. The AV, p-AV, and TBA were gradually increased during 6 months while the amount of unsaturated fatty acids, IV, and OSI decreased. Other parameters included concentrations of both hexanal and heptanal, and PV exhibited increasing trend during primitive months of storage; then, at the end of third and fourth months a sudden decrement was understood for the concentrations of hexanal and heptanal and the amount of PV, simultaneously. The latter parameters increased again until the end of shelf-time. As a result, the temperature and time were effective factors in oxidative stability of soybean oil. Also intensive correlations were found for soybean oil at 4 ˚C between AV and TBA (r2=0.96), PV and p-AV (r2=0.9), IV and TBA (-r2=0.9), and for soybean oil stored at 4˚C between p-AV and TBA (r2=0.99).

Keywords: headspace-liquid phase microextraction, oxidation, shelf-life, soybean oil

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Authors: Joanna Estkowska

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Sensory integration methods are very useful and improve daily functioning autistic and mentally disabled children. Autism is a neurobiological disorder that impairs one's ability to communicate with and relate to others as well as their sensory system. Children with autism, even highly functioning kids, can find it difficult to process language with surrounding noise or smells. They are hypersensitive to things we can ignore such as sight, sounds and touch. Adolescents with highly functioning autism or Asperger Syndrome can study Science and Math but the social aspect is difficult for them. Nature science is an area of study that attracts many of these kids. It is a systematic field in which the children can focus on a small aspect. If you follow these rules you can come up with an expected result. Sensory integration program and systematic classroom observation are quantitative methods of measuring classroom functioning and behaviors from direct observations. These methods specify both the events and behaviors that are to be observed and how they are to be recorded. Our students with and without autism attended the lessons in the classroom of nature science in the school and in the laboratory of University of Science and Technology in Bydgoszcz. The aim of this study is investigation the effects of sensory integration methods in teaching to students with autism. They were observed during experimental lessons in the classroom and in the laboratory. Their physical characteristics, sensory dysfunction, and behavior in class were taken into consideration by comparing their similarities and differences. In the chemistry classroom, every autistic student is paired with a mentor from their school. In the laboratory, the children are expected to wear goggles, gloves and a lab coat. The chemistry classes in the laboratory were held for four hours with a lunch break, and according to the assistants, the children were engaged the whole time. In classroom of nature science, the students are encouraged to use the interactive exhibition of chemical, physical and mathematical models constructed by the author of this paper. Our students with and without autism attended the lessons in those laboratories. The teacher's goals are: to assist the child in inhibiting and modulating sensory information and support the child in processing a response to sensory stimulation.

Keywords: autism spectrum disorder, science education, sensory integration techniques, student with special educational needs

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Authors: Sahriye Sonmez, Sedat Citak

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The objective of this study was to evaluate the effects of different organic manures on antioxidant activity, vitamin C and nitrate concentrations of broccoli (Brassica oleracea L. var italica) plants. For this purpose, broccoli plants were grown on open field conditions in 2 successive years (2011-2013) including 4 different seasons [(Spring 1 (March-June, 2011), Autumn 1 (September 2011-January 2012), Spring 2 (March-June, 2012), Autumn 2 (September 2012-January 2013)]. Organic manures (Farm manure (FM), vermicompost (VC) and leonardite (L) and its mixture (50 % FM+50% L, 50 % VC+50% FM, 50% L+50% VC and 33% FM+33% VC+33% L), one chemical fertilizer and one control, collectively 9 applications was investigated. The results indicated that the vitamin C concentrations of broccoli plants ranged from 31.4-55.8 mg/100 g, 43-631 mg/kg in nitrate concentrations and 11.0-56.7 mg/ml as IC50 inhibition values in antioxidant activities of broccoli plants. Also, it was determined that the effective applications were at the 50 % VC+50% FM for vitamin C concentrations, at the chemical fertilizer for nitrate concentrations and at the 100 % FM for antioxidant activities.

Keywords: broccoli, chemical fertilizer, farm manure, leonardite, vermicompost

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Authors: Ilija Plecas, Dalibor Arbutina

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The leaching rate of 60Co from spent mix bead (anion and cation) exchange resins in a cement-bentonite matrix has been studied. Transport phenomena involved in the leaching of a radioactive material from a cement-bentonite matrix are investigated using three methods based on theoretical equations. These are: the diffusion equation for a plane source, an equation for diffusion coupled to a first order equation and an empirical method employing a polynomial equation. The results presented in this paper are from a 25-year mortar and concrete testing project that will influence the design choices for radioactive waste packaging for a future Serbian radioactive waste disposal center.

Keywords: cement, concrete, immobilization, leaching, permeability, radioactivity, waste

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Authors: C. Alexandridou, G. N. Angelopoulos, F. A. Coutelieris

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Construction industry in Greece consumes annually more than 25 million tons of natural aggregates originating mainly from quarries. At the same time, more than 2 million tons of construction and demolition waste are deposited every year, usually without control, therefore increasing the environmental impact of this sector. A potential alternative for saving natural resources and minimize landfilling, could be the recycling and re-use of Concrete and Demolition Waste (CDW) in concrete production. Moreover, in order to conform to the European legislation, Greece is obliged to recycle non-hazardous construction and demolition waste to a minimum of 70% by 2020. In this paper characterization of recycled materials - commercially and laboratory produced, coarse and fine, Recycled Concrete Aggregates (RCA) - has been performed. Namely, X-Ray Fluorescence and X-ray diffraction (XRD) analysis were used for chemical and mineralogical analysis respectively. Physical properties such as particle density, water absorption, sand equivalent and resistance to fragmentation were also determined. This study, first time made in Greece, aims at outlining the differences between RCA and natural aggregates and evaluating their possible influence in concrete performance. Results indicate that RCA’s chemical composition is enriched in Si, Al, and alkali oxides compared to natural aggregates. X-ray diffraction (XRD) analyses results indicated the presence of calcite, quartz and minor peaks of mica and feldspars. From all the evaluated physical properties of coarse RCA, only water absorption and resistance to fragmentation seem to have a direct influence on the properties of concrete. Low Sand Equivalent and significantly high water absorption values indicate that fine fractions of RCA cannot be used for concrete production unless further processed. Chemical properties of RCA in terms of water soluble ions are similar to those of natural aggregates. Four different concrete mixtures were produced and examined, replacing natural coarse aggregates with RCA by a ratio of 0%, 25%, 50% and 75% respectively. Results indicate that concrete mixtures containing recycled concrete aggregates have a minor deterioration of their properties (3-9% lower compression strength at 28 days) compared to conventional concrete containing the same cement quantity.

Keywords: chemical and physical characterization, compressive strength, mineralogical analysis, recycled concrete aggregates, waste management

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Authors: Lubabatu Sada Sodangu

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Malaria is a major cause of death in tropical and subtropical nations. Malaria cases are continually rising as a result of a number of factors, despite the fact that the condition is now treatable using effective methods. In this situation, quick and effective diagnostic methods are essential for the management and control of malaria. Malaria diagnosis using conventional methods is still troublesome, hence new technologies have been created and implemented to get around the drawbacks. The review describes the currently known malaria diagnostic techniques, their strengths and shortcomings.

Keywords: malaria, technique, diagnosis, Africa

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Authors: Lubabatu Sada Sodangi

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Malaria is a major cause of death in tropical and subtropical nations. Malaria cases are continually rising as a result of a number of factors, despite the fact that the condition is now treatable using effective methods. In this situation, quick and effective diagnostic methods are essential for the management and control of malaria. Malaria diagnosis using conventional methods is still troublesome; hence, new technologies have been created and implemented to get around the drawbacks. The review describes the currently known malaria diagnostic techniques, their strengths, and shortcomings.

Keywords: malaria, technique, diagnosis, Africa

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Authors: Hien T. T. Ho, Tsunemi Watanabe

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The regulatory and market pressures on the restriction of nonylphenol and its ethoxylates in textile articles have confronted the textile manufacturers, particularly those in developing countries. This study aimed to examine the tentative behavior of the textile manufacturers in Vietnam from the perspectives of attitude and the perceptions of technical and organizational adaptabilities, risks, benefits, and barriers. Personal interviews were conducted with five technical specialists from four textile firms and one chemical supplier. The environmental regulatory and market situations regarding the chemical use in Vietnam were also described. The findings revealed two main opposing trends of chemical substitution depending on the market orientation of firms that governed the patterns of risk and benefit perception. The indirect influence of perceived adaptabilities on firm tentative behavior through perceived risks was elucidated, which initiated a conceptual model of firm’s behavior combining the organizational-based and the rational-based relationships. The intermediary role of non-governmental textile and garment industrial/ trade associations is highlighted to strengthen private firm’s informative capacity.

Keywords: firm behavior, institutional analysis, organizational adaptation, technical adaptation

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Authors: Min Wang, Sergey Utev

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The lessons from the 2007-09 global financial crisis have driven scientific research, which considers the design of new methodologies and financial models in the global market. The quantum mechanics approach was introduced in the unpredictable stock market modeling. One famous quantum tool is Feynman path integral method, which was used to model insurance risk by Tamturk and Utev and adapted to formalize the path-dependent option pricing by Hao and Utev. The research is based on the path-dependent calculation method, which is motivated by the Feynman path integral method. The path calculation can be studied in two ways, one way is to label, and the other is computational. Labeling is a part of the representation of objects, and generating functions can provide many different ways of representing share price paths. In this paper, the recent works on graphical theoretical construction of individual share price path via matroid is presented. Firstly, a study is done on the knowledge of matroid, relationship between lattice path matroid and Tutte polynomials and ways to connect points in the lattice path matroid and Tutte polynomials is suggested. Secondly, It is found that a general binary tree can be validly constructed from a connected lattice path matroid rather than general lattice path matroid. Lastly, it is suggested that there is a way to represent share price paths via a general binary tree, and an algorithm is developed to construct share price paths from general binary trees. A relationship is also provided between lattice integer points and Tutte polynomials of a transversal matroid. Use this way of connection together with the algorithm, a share price path can be constructed from a given connected lattice path matroid.

Keywords: combinatorial construction, graphical representation, matroid, path calculation, share price, Tutte polynomial

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Authors: Habiba Rechek, Ammar Haouat, Ratiba Mekkiou, Diana C. G. A. Pinto, Artur M. S. Silva

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Satureja hispidula is an aromatic and medicinal plant belonging to the family of Lamiaceae native to Algeria, just like mint or thyme. Although she is less known to the general public than her more famous cousins, this species has many therapeutic properties that have been used for centuries in traditional medicine of some regions. For generations, Satureja hispidula has been used in traditional medicine to treat various ailments, including respiratory diseases and diabetes. Its aroma, often described as close to that of mint, gives it a special interest in aromatherapy. Due to the growing interest in the beneficial properties of plant-derived essential oils, the aim of this study is to analyze the chemical composition of S. hispidula essential oil by gas chromatography coupled with mass spectrometry (GC-MS). Identifying the main constituents of essential oil will allow better understanding its chemical nature and exploring its potential for culinary and therapeutic application. The study of the essential oil of S. hispidula reveals a composition rich in 83 compounds, including menthone, pulegone and piperitone as main constituents. This gas chromatography analysis coupled with mass spectrometry provides valuable information about the chemical nature of this oil. However, more in-depth studies are needed to explore the potentially health-enhancing properties of this essential oil.

Keywords: satureja hispidula, GC-MS, essential oil, menthone, pulegone

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Authors: Georgios Linardatos, Miltiadis Zamparas, Vlasoula Bekiari, Georgios Bokias, Georgios Hotos

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Hydrogels are three-dimensional, hydrophilic, polymeric networks composed of homopolymers or copolymers and are insoluble in water due to the presence of chemical or physical cross-links. When hydrogels come in contact with aqueous solutions, they can effectively sorb and retain the dissolved substances, depending on the nature of the monomeric units comprising the hydrogel. For this reason, hydrogels have been proposed in several studies as water purification agents. At the present work anionic hydrogels bearing negatively charged –COO- groups were prepared and investigated. These gels are based on sodium acrylate (ANa), either homopolymerized (poly(sodiumacrylate), PANa) or copolymerized (P(DMAM-co-ANa)) with N,N Dimethylacrylamide (DMAM). The hydrogels were used to extract some model organic dyes from water. It is found that cationic dyes are strongly sorbed and retained by the hydrogels, while sorption of anionic dyes was negligible. In all cases it was found that both maximum sorption capacity and equilibrium binding constant varied from one dye to the other depending on the chemical structure of the dye, the presence of functional chemical groups and the hydrophobic-hydrophilic balance. Finally, the nonionic hydrogel of the homopolymer poly(N,N-dimethylacrylamide), PDMAM, was also used for reasons of comparison.

Keywords: anionic organic hydrogels, sorption, organic dyes, water purification agents

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Authors: L. Bammou, M. Belkhaouda R. Salghi, L. Bazzi, B. Hammouti

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Steel and steel-based alloys of different grades steel are extensively used in numerous applications where acid solutions are widely applied such as industrial acid pickling, industrial acid cleaning and oil-well acidizing. The use of chemical inhibitors is one of the most practical methods for the protection against corrosion in acidic media. Most of the excellent acid inhibitors are organic compounds containing nitrogen, oxygen, phosphorus and sulphur. The use of non-toxic inhibitors called green or eco-friendly environmental inhibitors is one of the solutions possible to prevent the corrosion of the material. These advantages have incited us to draw a large part of program of our laboratory to examine natural substances as corrosion inhibitors such as: prickly pear seed oil, Argan oil, Argan extract, Fennel oil, Rosemary oil, Thymus oil, Lavender oil, Jojoba oil, Pennyroyal Mint oil, and Artemisia. In the present work, we investigate the corrosion inhibition of steel in 1 M HCl by junipers extract using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods. The result obtained of junipers extract (JE) shows excellent inhibition properties for the corrosion of C38 steel in 1M HCl at 298K, and the inhibition efficiency increases with increasing of the JE concentration. The inhibitor efficiencies determined by weight loss, Tafel polarisation and EIS methods are in reasonable agreement. Based on the polarisation results, the investigated junipers extract can be classified as mixed inhibitor. The calculated structural parameters show increase of the obtained Rct values and decrease of the capacitance, Cdl, with JE concentration increase. It is suggested to attribute this to the increase of the thickness of the adsorption layer at steel surface. The adsorption model obeys to the Langmuir adsorption isotherm. The adsorption process is a spontaneous and exothermic process.

Keywords: corrosion inhibition, steel, friendly inhibitors, Tafel polarisation

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Authors: Justice Dadzie, Stacy H. Surman, Ruth K. Annan-Brew, Ifesinachi J. Ezugwu, Evans Addison

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This study aimed to explore the correlation between students' performance in educational statistics and research methods in education, as well as investigate potential differences in performance based on their undergraduate programs. A cross-sectional design was employed, and data was collected from 170 students enrolled in master of philosophy programs in the department of education and psychology. The correlation analysis revealed a strong positive correlation between students' performance in intermediate statistics in education and research methods in education. This indicates a close relationship between the two domains. The MANOVA analysis showed no significant differences in the linear combination of intermediate statistics in education and research methods in education scores across the different undergraduate programs. The tests of between-subjects effects further confirmed that the student's performance in intermediate statistics in education and research methods in education did not differ significantly across the different undergraduate programs. These findings contribute to the existing literature by providing insights into the correlation between educational statistics and research methods, and the influence of undergraduate program backgrounds on students' performance in these domains. The strong positive correlation between intermediate statistics and research methods highlights the importance of a solid foundation in statistics for understanding and applying research methods. Moreover, the consistent relationship across different academic backgrounds emphasizes the need for targeted interventions and support systems to enhance graduate students' competencies in these critical areas.

Keywords: educational statistics, research methods, undergraduate programs, students performance

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Authors: Muthana A. M. Jamel Al-Gburi

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Elimination of carbon dioxide (CO2) gas from the atmosphere is very important but complicated since there is increasing in the amounts of carbon dioxide and other greenhouse gases in the atmosphere, which mainly caused by some of the human activities and the burning of fossil fuels. So that will lead to global warming. The global warming affects the earth temperature causing an increase to a higher level and, at the same time, creates tornadoes and storms. In this project, we are going to do a new technique for extracting carbon dioxide directly from the air and change it to useful minerals and Nano scale fibers made of carbon by using several chemical processes through chemical reactions. So, that could lead to an economical and healthy way to make some valuable building materials. Also, it may even work as a weapon against environmental change. In our device (Carbone Dioxide Domestic Extractor), we are using Ocean-seawater to dissolve the CO₂ gas and then converted it into carbonate minerals by using a number of additives like Shampoo, clay, and MgO. Note that the atmospheric air includes CO₂ gas, has circulated within the seawater by the air pump. More, that we will use a number of chemicals agents to convert the water acid into useful minerals. After we constructed the system, we did intense experiments and investigations to find the optimum chemical agent, which must be work at the environmental condition. Further to that, we will measure the solubility of CO₂ and other salts in the seawater.

Keywords: global warming, CO₂ gas, ocean-sea water, additives, solubility level

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Authors: Hicham Amar, Mustapha El Ghorfi, Yassine Taha, Abdellatif Elghali, Rachid Hakkou, Mostafa Benzaazoua

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Phosphate mine waste rock (PMWR) generated during ore extraction is continuously increasing, resulting in a significant environmental footprint. The main objectives of this study consist of i) elaboration of the sampling strategy of PMWR piles, ii) a mineralogical and chemical characterization of PMWR piles, and iii) 3D block model creation to evaluate the potential valorization of the existing PMWR. Destructive drilling using reverse circulation from 13 drills was used to collect samples for chemical (X-ray fluorescence analysis) and mineralogical assays. The 3D block model was created based on the data set, including chemical data of the realized drills using Datamine RM software. The optical microscopy observations showed that the sandy phosphate from drills in the PMWR piles is characterized by the abundance of carbonate fluorapatite with the presence of calcite, dolomite, and quartz. The mean grade of composite samples was around 19.5±2.7% for P₂O₅. The mean grade of P₂O₅ exhibited an increasing tendency by depth profile from bottom to top of PMWR piles. 3D block model generated with chemical data confirmed the tendency of the mean grades’ variation and may allow a potential selective extraction according to %P₂O₅. The 3D block model of P₂O₅ grade is an efficient sampling approach that confirmed the variation of P₂O₅ grade. This integrated approach for PMWR management will be a helpful tool for decision-making to recover the residual phosphate, adopting the circular economy and sustainability in the phosphate mining industry.

Keywords: 3D modelling, reverse circulation drilling, circular economy, phosphate mine waste rock, sampling

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Authors: Gredson Keif Souza, Nehemias Curvelo Pereira

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Kernel oil from Macaúba is an important source of essential fatty acids. Thus, a new knowledge of the oil of this species could be used in new applications, such as pharmaceutical drugs based in the manufacture of cosmetics, and in various industrial processes. The aim of this study was to characterize the kernel oil of macaúba (Acrocomia Totai) at different times of their maturation. The physico-chemical characteristics were determined in accordance with the official analytical methods of oils and fats. It was determined the content of water and lipids in kernel, saponification value, acid value, water content in the oil, viscosity, density, composition in fatty acids by gas chromatography and molar mass. The results submitted to Tukey test for significant value to 5%. Found for the unripe fruits values superior to unsaturated fatty acids.

Keywords: extraction, characterization, kernel oil, acrocomia totai

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Authors: Rabah Younes

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The reduction of available land resources and the increased cout associated with the use of high quality materials have led to the need for local soils to be used in geotechnical construction, however; poor engineering properties of these soils pose difficulties for constructions project and need to be stabilized to improve their properties in other works unsuitable soils with low bearing capacity , high plasticity coupled with high instability are frequently encountered hence, there is a need to improve the physical and mechanical characteristics of these soils to make theme more suitable for construction this can be done by using different mechanical and chemical methods clayey soil stabilization has been practiced for sometime but mixing additives, such us cement, lime and fly ash to the soil to increase its strength.

Keywords: clay, soil stabilization, naturaln pozzolana, atterberg limits, compaction, compressive strength shear strength, curing

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Authors: Belloufi Mohammed, Sellami Badreddine

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Conjugate gradient methods have played a special role for solving large scale optimization problems due to the simplicity of their iteration, convergence properties and their low memory requirements. In this work, we propose a new class of conjugate gradient methods which ensures sufficient descent. Moreover, we propose a new search direction with the Wolfe line search technique for solving unconstrained optimization problems, a global convergence result for general functions is established provided that the line search satisfies the Wolfe conditions. Our numerical experiments indicate that our proposed methods are preferable and in general superior to the classical conjugate gradient methods in terms of efficiency and robustness.

Keywords: unconstrained optimization, conjugate gradient method, sufficient descent property, numerical comparisons

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Authors: Hamid Merzouk, Djahida Touati-Talantikite, Amina Zaabar

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New nanosized materials are in huge expansion worldwide. They play a fundamental role in various industrial applications thanks their unique and functional properties. Moreover, in recent years, a great effort has been made to the design and control fabrication of nanostructured semiconductors such zinc sulphide. In recent years, much attention has been accorded in doped and co-doped ZnS to improve the ZnS films quality. We present in this work the preparation and characterization of ZnS and Al doped ZnS thin films. Nanoparticles ZnS and Al doped ZnS films are prepared by chemical bath deposition method (CBD), for various dopant concentrations. Thin films are deposed onto commercial microscope glass slides substrates. Thiourea is used as sulfide ion source, zinc acetate as zinc ion source and manganese acetate as manganese ion source in alkaline bath at 90 °C. X-ray diffraction (XRD) analyses are carried out at room temperature on films and powders with a powder diffractometer, using CuKα radiation. The average grain size obtained from the Debye–Scherrer’s formula is around 10 nm. Films morphology is examined by scanning electron microscopy. IR spectra of representative sample are recorded with the FTIR between 400 and 4000 cm-1.The transmittance (70 %) is performed with the UV–VIS spectrometer in the wavelength range 200–800 nm. This value is enhanced by Al doping.

Keywords: ZnS, nanostructured semiconductors, thin films, chemical bath deposition

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Authors: B. S Kaith, K. Sharma, V. Kumar, S. Kalia

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Superabsorbent are three-dimensional networks of linear or branched polymeric chains which can uptake large volume of biological fluids. The ability is due to the presence of functional groups like –NH2, -COOH and –OH. Such cross-linked products based on natural materials, such as cellulose, starch, dextran, gum and chitosan, because of their easy availability, low production cost, non-toxicity and biodegradability have attracted the attention of Scientists and Technologists all over the world. Since natural polymers have better biocompatibility and are non-toxic than most synthetic one, therefore, such materials can be applied in the preparation of controlled drug delivery devices, biosensors, tissue engineering, contact lenses, soil conditioning, removal of heavy metal ions and dyes. Gums are natural potential antioxidants and are used as food additives. They have excellent properties like high solubility, pH stability, non-toxicity and gelling characteristics. Till date lot of methods have been applied for the synthesis and modifications of cross-linked materials with improved properties suitable for different applications. It is well known that ion beam irradiation can play a crucial role to synthesize, modify, crosslink or degrade polymeric materials. High energetic heavy ions irradiation on polymer film induces significant changes like chain scission, cross-linking, structural changes, amorphization and degradation in bulk. Various researchers reported the effects of low and heavy ion irradiation on the properties of polymeric materials and observed significant improvement in optical, electrical, chemical, thermal and dielectric properties. Moreover, modifications induced in the materials mainly depend on the structure, the ion beam parameters like energy, linear energy transfer, fluence, mass, charge and the nature of the target material. Ion-beam irradiation is a useful technique for improving the surface properties of biodegradable polymers without missing the bulk properties. Therefore, a considerable interest has been grown to study the effects of SHIs irradiation on the properties of synthesized semi-IPNs and IPNs. The present work deals with the preparation of semi-IPNs and IPNs and impact of SHI like O7+ and Ni9+ irradiation on optical, chemical, structural, morphological and thermal properties along with impact on different applications. The results have been discussed on the basis of Linear Energy Transfer (LET) of the ions.

Keywords: adsorbent, gel, IPNs, semi-IPNs

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Authors: Aidan J. Bowes, Reaz Hasan

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The automotive industry is continually aiming to develop the aerodynamics of car body design. This may be for a variety of beneficial reasons such as to increase speed or fuel efficiency by reducing drag. However recently there has been a greater amount of focus on wind noise produced while driving. Designers in this industry seek a combination of both simplicity of approach and overall effectiveness. This combined with the growing availability of commercial CFD (Computational Fluid Dynamics) packages is likely to lead to an increase in the use of RANS (Reynolds Averaged Navier-Stokes) based CFD methods. This is due to these methods often being simpler than other CFD methods, having a lower demand on time and computing power. In this investigation the effectiveness of turbulent flow and acoustic noise prediction using RANS based methods has been assessed for different wing mirror geometries. Three different RANS based models were used, standard k-ε, realizable k-ε and k-ω SST. The merits and limitations of these methods are then discussed, by comparing with both experimental and numerical results found in literature. In general, flow prediction is fairly comparable to more complex LES (Large Eddy Simulation) based methods; in particular for the k-ω SST model. However acoustic noise prediction still leaves opportunities for more improvement using RANS based methods.

Keywords: acoustics, aerodynamics, RANS models, turbulent flow

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Authors: A. Benhadji, M. Taleb Ahmed

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Among the various methods of treatment, advanced oxidation processes (AOP) are the most promising ones. In this study, Peroxi Electrocoagulation Process (PEP) was investigated for the treatment of detergent wastewater. The process was compared with electrooxidation treatment. The results showed that chemical oxygen demand (COD) was high 7584 mgO₂.L^-1, while the biochemical oxygen demand was low (250 mgO₂.L^-1). This wastewater was hardly biodegradable. Electrochemical process was carried out for the removal of detergent using a glass reactor with a volume of 1 L and fitted with three electrodes. A direct current (DC) supply was used. Samples were taken at various current density (0.0227 A/cm² to 0.0378 A/cm²) and reaction time (1-2-3-4 and 5 hour). Finally, the COD was determined. The results indicated that COD removal efficiency of PEP was observed to increase with current intensity and reached to 77% after 5 h. The highest removal efficiency was observed after 5 h of treatment.

Keywords: AOP, COD, detergent, PEP, wastewater

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Authors: Areej Almalkawi, Sameer Hamadna, Parviz Soroushian, Nalin Darsana

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The work on indigenous binders in this paper focused on the following indigenous raw materials: red clay, red lava and pumice (as primary aluminosilicate precursors), wood ash and gypsum (as supplementary minerals), and sodium sulfate and lime (as alkali activators). The experimental methods used for evaluation of these indigenous raw materials included laser granulometry, x-ray fluorescence (XRF) spectroscopy, and chemical reactivity. Formulations were devised for transforming these raw materials into alkali aluminosilicate-based hydraulic cements. These formulations were processed into hydraulic cements via simple heating and milling actions to render thermal activation, mechanochemical and size reduction effects. The resulting hydraulic cements were subjected to laser granulometry, heat of hydration and reactivity tests. These cements were also used to prepare mortar mixtures, which were evaluated via performance of compressive strength tests. The measured values of strength were correlated with the reactivity, size distribution and microstructural features of raw materials. Some of the indigenous hydraulic cements produced in this reporting period yielded viable levels of compressive strength. The correlation trends established in this work are being evaluated for development of simple and thorough methods of qualifying indigenous raw materials for use in production of indigenous hydraulic cements.

Keywords: one-part geopolymer cement, aluminosilicate precursors, thermal activation, mechanochemical

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Authors: Daniel Alfonso Reséndiz-García, Luis Antonio García-Villanueva

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As a result of the high industrial activity, which arises from the search to satisfy the needs of products and services for society, several chemical accidents have occurred, causing serious damage to different sectors: human, economic, infrastructure and environmental losses. Historically, with the study of this chemical accidents, it has been determined that the causes are mainly due to human errors (inexperienced personnel, negligence, lack of maintenance and deficient risk analysis). The industries have the aim to increase production and reduce costs. However, it should be kept in mind that the costs involved in risk studies, implementation of barriers and safety systems is much cheaper than paying for the possible damages that could occur in the event of an accident, without forgetting that there are things that cannot be replaced, such as human lives.Therefore, it is of utmost importance to implement risk studies in all industries, which provide information for prevention and planning. The aim of this study is to compare risk methodologies by identifying the consequences of accidents related to the storage of flammable, dangerous goods for decision making and emergency response.The methodologies considered in this study are qualitative and quantitative risk analysis and consequence analysis. The latter, by means of modeling software, which provides radius of affectation and the possible scope and magnitude of damages.By using risk analysis, possible scenarios of occurrence of chemical accidents in the storage of flammable substances are identified. Once the possible risk scenarios have been identified, the characteristics of the substances, their storage and atmospheric conditions are entered into the software.The results provide information that allows the implementation of prevention, detection, control, and combat elements for emergency response, thus having the necessary tools to avoid the occurrence of accidents and, if they do occur, to significantly reduce the magnitude of the damage.This study highlights the importance of risk studies applying tools that best suited to each case study. It also proves the importance of knowing the risk exposure of industrial activities for a better prevention, planning and emergency response.

Keywords: chemical accidents, emergency response, flammable substances, risk analysis, modeling

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Authors: Hari O. Saxena, Ganesh

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In the present investigation, chemical fingerprints of methanolic extracts of roots, stem and leaves of Uraria picta were developed using HPTLC technique. These fingerprints will be useful for authentication as well as in differentiating the species from adulterants. These will also serve as a biochemical marker for this valuable species in pharmaceutical industries and plant systemic studies. Roots, stem and leaves of Uraria picta were further evaluated for quantification of an active ingredient lupeol to find out alternatives to roots. Results showed more content of lupeol in stem (0.048%, dry wt.) as compare to roots (0.017%, dry wt.) suggesting the utilization of stem in place of roots. It will avoid uprooting of this prestigious plant which ultimately will promote its conservation.

Keywords: chemical fingerprints, lupeol, quantification, Uraria picta

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Authors: Punwath Prum

Abstract:

Superfund site is recognized publicly to be a severe environmental problem to surrounding communities and biodiversity due to its hazardous chemical waste from industrial activities. It contaminates the soil and water but also is a leading potential point-source pollution affecting ecosystem in watershed areas from chemical substances. The risks of Superfund site on watershed can be effectively measured by utilizing publicly available data and geospatial analysis by free and open source application. This study analyzed the vegetation change within high risked contaminated watersheds in Wisconsin. The high risk watersheds were measured by which watershed contained high number Superfund sites. The study identified two potential risk watersheds in Lafayette and analyzed the temporal changes of vegetation within the areas based on Normalized difference vegetation index (NDVI) analysis. The raster statistic was used to compare the change of NDVI value over the period. The analysis results showed that the NDVI value within the Superfund sites’ boundary has a significant lower value than nearby surrounding and provides an analogy for environmental hazard affect by the chemical contamination in Superfund site.

Keywords: soil contamination, spatial analysis, watershed

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