Search results for: quantum chemical calculation

Authors: Nora Arbaoui, Rachid Tadili, Ilham Ihoume

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The improvement of the agricultural production and food preservation processes requires the introduction of heating and cooling techniques in greenhouses. To develop these techniques, our work proposes a design of an integrated and autonomous solar system for heating, cooling, and production conservation in greenhouses. The hot air produced by the greenhouse effect during the day will be evacuated to compartments annexed in the greenhouse to dry the surplus agricultural production that is not sold on the market. In this paper, we will give a description of this solar system and the calculation of the fluid’s volume used for heat storage that will be released during the night.

Keywords: solar system, agricultural greenhouse, heating, cooling, storage, drying

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Authors: B. Kurbanova, M. Karibayev, N. Almas, K. Ospanov, K. Aimaganbetov, T. Kuanyshbekov, K. Akatan, S. Kabdrakhmanova

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Proton exchange membranes (PEMs) operating at high temperatures above 100 °C with the excellent mechanical, chemical and thermochemical stability have been received much attention, because of their practical application of proton exchange membrane fuel cells (PEMFCs). Nowadays, a huge number of polymers and polymer-mixed various membranes have been investigated for this application, all of which offer both pros and cons. However, PEMFCs are still lack of ideal membranes with unique properties. In this work, carboxymethylcellulose (CMC) based membranes with dispersive graphene oxide (GO) sheets were fabricated and investigated for PEMFCs application. These membranes and pristine GO were studied by a combination of XRD, XPS, Raman, Brillouin, FTIR, thermo-mechanical analysis (TGA and Dynamic Mechanical Analysis) and SEM microscopy, while substantial studies on the proton transport properties were provided by Electrochemical Impedance Spectroscopy (EIS) measurements. It was revealed that the addition of CMC to the GO boosts proton conductivity of the whole membrane, while GO provides good mechanical and thermomechanical stability to the membrane. Further, the continuous and ordered nanochannels with well-tailored chemical structures were obtained by irradiation of heavy ions Kr⁺¹⁷ with an energy of 1.75 MeV/nucleon on the heavy ion accelerator. The formation of these nanochannels led to the significant increase of proton conductivity at 50% Relative Humidity. Also, FTIR and XPS measurement results show that ion irradiation eliminated the GO’s surface oxygen chemical bonds (C=O, C-O), and led to the formation of C = C, C – C bonds, whereas these changes connected with an increase in conductivity.

Keywords: proton exchange membranes, graphene oxide, fuel cells, carboxymethylcellulose, ion irradiation

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Authors: Simiksha Balkissoon, Jerome Andrew, Bruce Sithole

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Approximately half of the wood processed in the Forestry, Timber, Pulp and Paper (FTPP) sector is accumulated as waste. The concept of a “green economy” encourages industries to employ revolutionary, transformative technologies to eliminate waste generation by exploring the development of new value chains. The transition towards an almost paperless world driven by the rise of digital media has resulted in a decline in traditional paper markets, prompting the FTTP sector to reposition itself and expand its product offerings by unlocking the potential of value-adding opportunities from renewable resources such as wood to generate revenue and mitigate its environmental impact. The production of valuable products from wood waste such as sawdust has been extensively explored in recent years. Wood components such as lignin, cellulose and hemicelluloses, which can be extracted selectively by chemical processing, are suitable candidates for producing numerous high-value products. In this study, a novel approach to produce high-value cellulose products, such as dissolving wood pulp (DWP), from sawdust was developed. DWP is a high purity cellulose product used in several applications such as pharmaceutical, textile, food, paint and coatings industries. The proposed approach demonstrates the potential to eliminate several complex processing stages, such as pulping and bleaching, which are associated with traditional commercial processes to produce high purity cellulose products such as DWP, making it less chemically energy and water-intensive. The developed process followed the path of experimentally designed lab tests evaluating typical processing conditions such as residence time, chemical concentrations, liquid-to-solid ratios and temperature, followed by the application of suitable purification steps. Characterization of the product from the initial stage was conducted using commercially available DWP grades as reference materials. The chemical characteristics of the products thus far have shown similar properties to commercial products, making the proposed process a promising and viable option for the production of DWP from sawdust.

Keywords: biomass, cellulose, chemical treatment, dissolving wood pulp

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Authors: Olaide O. Wahab, Lukman O. Olasunkanmi, Krishna K. Govender, Penny P. Govender

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The economic and environmental challenges associated with azo disperse dyes applications are due to poor aqueous solubility and low degradation tendency which stems from low chemical reactivity. Poor aqueous solubility property of this group of dyes necessitates the use of dispersing agents which increase operational costs and also release toxic chemical components into the environment, while their low degradation tendency is due to the high stability of the azo functional group (-N=N-) in their chemical structures. To address these problems, this study investigated theoretically the effects of some polar substituents on the aqueous solubility and reactivity properties of disperse yellow (DY) 119 dye with a view to theoretically develop new azo disperse dyes with improved solubility in water and higher degradation tendency in the environment using DMol³ computational code. All calculations were carried out using the Becke and Perdew version of Volsko-Wilk-Nusair (VWN-BP) level of density functional theory in conjunction with double numerical basis set containing polarization function (DNP). The aqueous solubility determination was achieved with conductor-like screening model for realistic solvation (COSMO-RS) in conjunction with known empirical solubility model, while the reactivity was predicted using frontier molecular orbital calculations. Most of the new derivatives studied showed evidence of higher aqueous solubility and degradation tendency compared to the parent dye. We conclude that these derivatives are promising alternative dyes for more economic and environmental benign dyeing practice and therefore recommend them for synthesis.

Keywords: aqueous solubility, azo disperse dye, degradation, disperse yellow 119, DMol³, reactivity

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Authors: Mohamed Zaidour

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In this summary, we are going to look in brief at the bridges and their building and construction on most roads and we have followed a simple method to explain each field clearly because the geographical and climatic diversity of an area leads to different methods and types of roads and installation engineering in other areas In mountain areas we need to build retaining walls in areas of rain. It needs to construct ferries to discharge water from roads in areas of temporary or permanent rivers. There is a need to build bridges and construct road installations in the process of collecting the necessary information, such as soil type. This information needs it, engineer, when designing the constructor and in this section, we will identify the types and methods of calculation bridge columns rules phrases the walls are chock.

Keywords: bridges, buildings, concrete, constructions, roads

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Authors: Aitor Barbero-López, Soumaya Chibily, Gerhard Scheepers, Thomas Grahn, Martti Venäläinen, Antti Haapala

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Wood decay is addressed continuously within the wood industry through use and development of wood preservatives. The increasing awareness on the negative effects of many chemicals towards the environment is causing political restrictions in their use and creating more urgent need for research on green alternatives. This paper discusses some of the possible natural extracts for wood preserving applications and compares the analytical methods available for testing their behavior and efficiency against decay fungi. The results indicate that natural extracts have interesting chemical constituents that delay fungal growth but vary in efficiency depending on the chemical concentration and substrate used. Results also suggest that presence and redistribution of preservatives in wood during exposure trials can be assessed by spectral imaging methods although standardized methods are not available. This study concludes that, in addition to the many standard methods available, there is a need to develop new faster methods for screening potential preservative formulation while maintaining the comparability and relevance of results.

Keywords: analytics, methods, preservatives, wood decay

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Authors: Zaidour Mohamed, Ghalem Ali Jr., Achit Henni Mohamed

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This project is destined to study pole junctions of reinforced concrete beams subjected to seismic loads. A literature review was made to clarify the work done by researchers in the last three decades and especially the results of the last two years that were studied for the determination of the method of calculating the transverse reinforcement in the different nodes of a structure. For implementation efforts in the columns and beams of a building R + 4 in zone 3 were calculated using the finite element method through software. These results are the basis of our work which led to the calculation of the transverse reinforcement of the nodes of the structure in question.

Keywords: beam–column joints, cyclic loading, shearing force, damaged joint

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Authors: Aminu Muhammad, Mustapha Ya’u, Hasnah Mohd Sirat

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An investigation of the chemical constituents into the stem bark of Ficus platyphylla (Moraceae) has resulted in the isolation of hordenine, epicatechin, lupeol, lupeol acetate and α-amyrin acetate. Their structures were determined using spectroscopic data as well as comparison with literature data. The antibacterial assay has been tested against Gram positive and Gram negative bacteria, while the tyrosinase inhibition assay was examined using L-Dopa as a substrate of mushroom tyrosinase enzyme. hordenine, epicatechin, lupeol, lupeol acetate and α-amyrin acetate showed minimum inhibition concentration (MIC) values in the range of 225-900 µg/mL against the bacterial strains. Lupeol, lupeol acetate and α-amyrin acetate showed significant antityrosinase activity against mushroom tyrosinase enzyme with percent inhibition of 67.7%, 66.2% and 62.2%, respectively.

Keywords: antibacterial, antityrosinase, chemical constituents, Ficus platyphylla

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Authors: Iván Castelló, Georgiana Stoica, Emilio Palomares, Fernando Bravo

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We present herein two colour encoded silica nanospheres (2nanoSi) for the fluorescence quantitative ratiometric determination of trypsin in humans. The system proved to be a faster (minutes) method, with two times higher sensitivity than the state-of-the-art biomarkers based sensors for cystic fibrosis (CF), allowing the quantification of trypsin concentrations in a wide range (0-350 mg/L). Furthermore, as trypsin is directly related to the development of cystic fibrosis, different human genotypes, i.e. healthy homozygotic (> 80 mg/L), CF homozygotic (< 50 mg/L), and heterozygotic (> 50 mg/L), respectively, can be determined using our 2nanoSi nanospheres.

Keywords: cystic fibrosis, trypsin, quantum dots, biomarker, homozygote, heterozygote

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Authors: Fakhreldin O. Suliman, Alia H. Al-Battashi

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This work explored the interaction of three different imidazoline drugs, naphazoline nitrate (NPH), oxymetazoline hydrochloride (OXY) and xylometazoline hydrochloride (XYL) with two different synthesized cucurbit[n]urils CB[n], cucurbit[7]uril (CB[7]) and cucuribit[8]uril (CB[8]). Three binary inclusion complexes have been investigated in solution and in the solid state. The solid complexes were obtained by lyophilization, whereas the physical mixtures of guests and hosts at a stoichiometric ratio of 1:1 were obtained for each drug. 1HNMR, electrospray ionization mass spectrometry (ESI-MS), and matrix-assisted laser desorption-ionization time-of-flight (MALDI-TOF) mass spectrometry was used to study the complexes prepared in aqueous media. The lyophilized solid complexes were characterized by Fourier transform-infrared spectroscopy (FT-IR), powder X-ray diffractometry (PXRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). MS, FT-IR and PXRD experimental results established in this work reveal that NPH, OXY and XYL molecules form stable inclusion complexes with the two hosts. The TGA and DSC confirmed the enhancement of the thermal stability of each drug and the production of a thermally stable solid complex. The 1HNMR has shown that the protons of the guests faced shifting in ppm and broadening of their peaks upon the formation of inclusion complexes with the selected CB[n]. The aromatic protons of the guest exhibited the highest changes in the chemical shifts and shape of the NMR peaks, suggesting their inclusion into the cavity of the CB[n]. The diffusion coefficients (D), developed from the diffusion-controlled NMR Spectroscopy (DOSY) measurements, for the complexation of the selected imidazoline drugs with CB[7] and CB[8], were decreased in the presence of hosts compared to the free guests indicating the formation of the guest-host adduct. Furthermore, we conducted molecular dynamic simulations and quantum mechanics calculations on these complexes. The results of the theoretical study corroborate the experimental findings and have also shed light on the mechanism of inclusion of the guests into the two hosts. This study generates initial data for potential drug delivery or drug formulation systems for these three selected imidazoline drug compounds based on their inclusion into the CB[n] cavities.

Keywords: cucurbit[n]urils, imidazoline, inclusion complexes, molecular dynamics, DFT calculations, mass spectrometry

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Authors: Boukhiar Aissa, Iguergaziz Nadia, Halladj Fatima, Lamrani Yasmina, Benamara Salem

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Determining the alcohol content in alcoholic fermentation bioprocess has a great importance. In fact, it is a key indicator for monitoring this fermentation bioprocess. Several methodologies (chemical, spectrophotometric, chromatographic...) are used to the determination of this parameter. However, these techniques are very long and require: rigorous preparations, sometimes dangerous chemical reagents, and/or expensive equipment. In the present study, the date juice is used as a substrate of alcoholic fermentation. The extracted juice undergoes an alcoholic fermentation by Saccharomyces cerevisiae. The study of the possible use of refractometry as a sole means for the in situ control of this process revealed a good correlation (R2 = 0.98) between initial and final ° Brix: ° Brix f = 0.377× ° Brixi. In addition, we verified the relationship between the variation in final and initial ° Brix (Δ ° Brix) and alcoholic rate produced (A exp): CΔ° Brix / A exp = 1.1. This allows the tracing of abacus isoresponses that permit to determine the alcoholic and residual sugar rates with a mean relative error (MRE) of 5.35%.

Keywords: refractometry, alcohol, residual sugar, fermentation, brix, date, juice

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Authors: Alfred Hasanaj , Ardit Gjeta, Miranda Kullolli

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The approach in analyzing defects on different pipe lines is conducted through Failure Assessment Diagram (FAD). These methods of analyses have further extended in recent years. This approach is used to identify and stress out a solution for the defects which randomly occur with gas pipes such are corrosion defects, gauge defects, and combination of defects where gauge and dents are included. Few of the defects are to be analyzed in this paper where our main focus will be the fracture of cast Iron pipes, elastic-plastic failure and plastic collapse of X52 steel pipes for gas transport. We need to conduct a calculation of probability of the defects in order to predict and avoid such costly defects.

Keywords: defects, failure assessment diagrams, steel pipes, safety factor

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Authors: S. Tunmee, P. Wongpanya, I. Toda, X. L. Zhou, Y. Nakaya, N. Konkhunthot, S. Arakawa, H. Saitoh

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The hydrogenated amorphous carbon films (a-C:H) were deposited on p-type Si (100) substrates at different thicknesses by radio frequency plasma enhanced chemical vapor deposition technique (rf-PECVD). Raman spectra display asymmetric diamond-like peaks, representative of the a-C:H films. The decrease of intensity ID/IG ratios revealed the sp3 content arise at different thicknesses of the a-C:H films. In terms of mechanical properties, the high hardness and elastic modulus values show the elastic and plastic deformation behaviors related to sp3 content in amorphous carbon films. Electro chemical properties showed that the a-C:H films exhibited excellent corrosion resistance in air-saturated 3.5 wt% NaCl solution for pH 2 at room temperature. Thickness increasing affected the small sp2 clusters in matrix, restricting the velocity transfer and exchange of electrons. The deposited a-C:H films exhibited excellent mechanical properties and corrosion resistance.

Keywords: thickness, mechanical properties, electrochemical corrosion properties, a-C:H film

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Authors: Dukali Abujnah, Mokhtar Blgacem Halbuda

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Water is one of the world's natural resources. It is an essential source for the maintenance of human, animal, and plant life. It has a significant impact on the country's economy and all human activities. Over the past twenty years, pressure on water resources has increased due to population and industrial growth and increasing demand for agricultural and household products, which has become a major concern of the international community. The aim of this study is the physical and bacteriological analysis of drinking water in the city of Value. The study covered different locations in the city. Thirty-six groundwater samples were taken from wells and various tanks owned by the State and private wells, and the Ain Thalia spring and other samples were taken from underground water tanks. It fills up with rainwater during the rainy season. These samples were analyzed for their physical, chemical, and biological status and the results were compared to Libyan and World Health Organization drinking water specifications to assess the quality of drinking water in the city of Value. Physical and chemical analysis of water samples showed acceptable values for acidity and electrical conductivity, and turbidity was found in water samples collected from underground reservoirs compared to Libyan and World Health Organization standards. The highest levels of electrical conductivity and alkalinity, TDS, and water hardness in the samples collected were below the maximum acceptable levels for drinking water as recommended by Libyan and World Health Organization specifications. The biological test results also showed that the water samples were free of intestinal bacteria.

Keywords: quality, agriculture, region, reservoir, evaluation

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Authors: Emmanuel O Ajani, Sabiu S, Mariam Zakari, Fisayo A Bamisaye

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Hydrocotyl bonariensis is a plant which anticataractogenic potentials have been reported. In the present study an attempt was made to evaluate the in vitro antioxidant activity of the fractionates of the leaves extract and also characterize some of its chemical constituents. DPPH, H₂O₂, OH and NO free radical scavenging, metal chelating and reducing power activity was used to evaluate the antioxidant activity of the crude extract fractionates. Fresh leaves of Hydrocotyl bonariensis leaves were extracted in 70% methanol. The extract was partitioned with different solvent system of increasing polarity (n-hexane, chloroform, ethyl acetate methanol and water). Compounds were isolated from the aqueous practitionate using accelerated gradient chromatography, vacuum liquid chromatography, preparative TLC and conventional column chromatography. The presence of the chemical groups was established with HPLC and Fourier Transform Infra Red. The structures of isolated compounds were elucidated by spectroscopic study and chemical shifts. Data from the study indicates that all the fractionates contain compounds with free radical scavenging activity. This activity was more pronounced in the aqueous fractionate (DPPH IC₅₀, 0025 ± 0.011 mg/ml, metal chelating capacity 27.5%, OH- scavenging IC₅₀, 0.846 ± 0.037 mg/ml, H₂O₂ scavenging IC₅₀ 0.521 ± 0.015 mg/ml, reducing power IC₅₀ 0.248 ± 0.025 mg/ml and NO scavenging IC₅₀ 0.537 ± 0.038 mg/ml). Two compounds were isolated and when compared with data from the literature; the structures were suggestive of polyphenolic flavonoid, quercetin and 3-O-β-D-glucopyranosyl-sitosterol. The result indicates that H. bonariensis leaves contain bioactive compounds with antioxidant activity.

Keywords: antioxidant, cataract, free radical, flavonoids, hydrocotyl bonariensis

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Authors: Khosro Mohammadi

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In order to study the effect of different resources of farmyard manure, compost and biofertilizers on grain yield and quality of canola (Talaieh cultivar), an experiment was conducted at Kurdistan region. Experimental units were arranged in split-split plots design based on randomized complete blocks with three replications. Main plots consisted of two locations with difference in soil texture (L1): Agricultural Research Center of Sanandaj and (L2): Islamic Azad University of Sanandaj, as location levels. Also, five strategies for obtaining the base fertilizer requirement including (N1): farmyard manure; (N2): compost; (N3): chemical fertilizers; (N4): farm yard manure + compost and (N5): farm yard manure + compost + chemical fertilizers were considered in split plots. Four levels of biofertilizers were (B1): Bacillus lentus and Pseudomonas putida; (B2): Trichoderma harzianum; (B3): Bacillus lentus and Pseudomonas putida & Trichoderma harzianum; and (B4): control. Results showed that location, different resources of fertilizer and interactions of them have a significant effect on grain yield. The highest grain yield (4660 kg/ha) was obtained from treatment, that farmyard manure, compost and biofertilizers were co application in clay loam soil (Gerizeh station). Different methods of fertilization have a significant effect on leaf chlorophyll. Highest amount of chlorophyll (38 Spad) was obtained from co application of farmyard manure, chemical fertilizers and compost (N5 treatment). Location, basal fertilizers and biofertilizers have a significant effect on N, S and N/S of canola seed. Oil content was decreased in Gerizeh station, but oil yield had a significant increasing than Azad University station. Co application of compost and farmyard manure produced highest percent of oleic acid (61.5 %) and linoleic acid (22.9 %). Co application of compost and farmyard manure has a significant increase in oleic acid and linoleic acid. Finally, L1N5B3 treatment, that compost, farmyard manure and biofertilizers were co application in Gerizeh station in compare to other treatments, selected as a best treatment of experiment.

Keywords: soil texture, organic fertilizer, chemical fertilizer, oil, Canola

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Authors: Byeong-Sam Kim, Jongmin Park

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The present work is motivated by the industrial challenge to produce complex composite shapes cost-effectively. The model used an anisotropical thermoviscoelastic is analyzed by an implemented finite element solver. The stress relaxation can be constructed by Prony series for the nonlinear thermoviscoelastic model. The calculation of process induced internal stresses relaxation during the cooling stage of the manufacturing cycle was carried out by the spring back phenomena observed from the part containing a cylindrical segment. The finite element results obtained from the present formulation are compared with experimental data, and the results show good correlations.

Keywords: thermoviscoelastic, springback phenomena, FEM analysis, thermoplastic composite structures

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Authors: Sophia Anastasiou, Cosmas Nathanailides, Fotini Kakali, Kostas Karipoglou

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Wild fish are considered as testier and in fish restaurants are offered at twice the price of farmed fish. Several chemical and structural differences can affect the consumer's attitudes for farmed fish. The structure and chemical composition of fish muscle is also important for the performance of farmed fish during handling, storage and processing. In the present work we present the chemical and sensory parameters which are used as indicators of fish flesh quality and we investigated the perceptions of consumers for farmed sea bass and the organoleptic differences between samples of wild and farmed sea bass. A questionnaire was distributed to a group of various ages that were regular consumers of sea bass. The questionnaire included a survey on the perceptions on taste and appearance differences between wild and farmed sea bass. A significant percentage (>40%) of the participants stated their perception of superior taste of wild sea bass versus the farmed fish. The participants took part in an organoleptic assessment of wild and farmed sea bass prepared and cooked by a local fish restaurant. Portions were evaluated for intensity of sensorial attributes from 1 (low intensity) to 5 (high intensity). The results indicate that contrary to the assessor's perception, farmed sea bass scored better in al organoleptic parameters assessed with marked superiority in texture and taste over the wild sea bass. This research has been co-financed by the European Union (European Social Fund – ESF) and Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF) - Research Funding Program: ARCHIMEDES III. Investing in knowledge society through the European Social Fund.

Keywords: fish marketing, farmed fish, seafood quality, wild fish

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Authors: Ahmad Odeh, Ahmad Jrade

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Energy assessment is an evidently significant factor when evaluating the sustainability of structures especially at the early design stage. Today design practices revolve around the selection of material that reduces the operational energy and yet meets their displinary need. Operational energy represents a substantial part of the building lifecycle energy usage but the fact remains that embodied energy is an important aspect unaccounted for in the carbon footprint. At the moment, little or no consideration is given to embodied energy mainly due to the complexity of calculation and the various factors involved. The equipment used, the fuel needed, and electricity required for each material vary with location and thus the embodied energy will differ for each project. Moreover, the method and the technique used in manufacturing, transporting and putting in place will have a significant influence on the materials’ embodied energy. This anomaly has made it difficult to calculate or even bench mark the usage of such energies. This paper presents a model aimed at helping designers select the construction materials based on their embodied energy. Moreover, this paper presents a systematic approach that uses an efficient method of calculation and ultimately provides new insight into construction material selection. The model is developed in a BIM environment targeting the quantification of embodied energy for construction materials through the three main stages of their life: manufacturing, transportation and placement. The model contains three major databases each of which contains a set of the most commonly used construction materials. The first dataset holds information about the energy required to manufacture any type of materials, the second includes information about the energy required for transporting the materials while the third stores information about the energy required by tools and cranes needed to place an item in its intended location. The model provides designers with sets of all available construction materials and their associated embodied energies to use for the selection during the design process. Through geospatial data and dimensional material analysis, the model will also be able to automatically calculate the distance between the factories and the construction site. To remain within the sustainability criteria set by LEED, a final database is created and used to calculate the overall construction cost based on R.M.S. means cost data and then automatically recalculate the costs for any modifications. Design criteria including both operational and embodied energies will cause designers to revaluate the current material selection for cost, energy, and most importantly sustainability.

Keywords: building information modelling, energy, life cycle analysis, sustainablity

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Authors: Abbas Hadj Abbas, Hacini Massaoud, Aiad Lahcen

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In Hassi-Messoud’s oil industry, the systems which are water based (WBM) are generally used for drilling in the first phase. For the rest of the well, the oil mud systems are employed (OBM). In the field of oil exploration, panoply of chemical products is employed in the drilling fluids formulation. These components of different natures and whose toxicity and biodegradability are of ill-defined parameters are; however, thrown into nature. In addition to the hydrocarbon (HC, such as diesel) which is a major constituent of oil based mud, we also can notice spills as well as a variety of other products and additives on the drilling sites. These wastes are usually stored in places called (crud wastes). These may cause major problems to the ecosystem. To treat these wastes, we have considered two methods which are: solidification/ stabilization (chemical) and thermal. So that we can evaluate the techniques of treatment, a series of analyses are performed on dozens of specimens of wastes before treatment. After that, and on the basis of our analyses of wastes, we opted for diagnostic treatments of pollution before and after solidification and stabilization. Finally, we have done some analyses before and after the thermal treatment to check the efficiency of the methods followed in the study.

Keywords: wastes treatment, the oil pollution, the norms, wastes drilling

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Authors: M. Marchewka

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The article is devoted to the possible optical transitions in double quantum wells system based on HgTe/HgCd(Mn)Te heterostructures. Such structures can find applications as detectors and sources of radiation in the terahertz range. The Double Quantum Wells (DQW) systems consist of two QWs separated by the transparent for electrons barrier. Such systems look promising from the point of view of the additional degrees of freedom. In the case of the topological insulator in about 6.4nm wide HgTe QW or strained 3D HgTe films at the interfaces, the topologically protected surface states appear at the interfaces/surfaces. Electrons in those edge states move along the interfaces/surfaces without backscattering due to time-reversal symmetry. Combination of the topological properties, which was already verified by the experimental way, together with the very well know properties of the DQWs, can be very interesting from the applications point of view, especially in the THz area. It is important that at the present stage, the technology makes it possible to create high-quality structures of this type, and intensive experimental and theoretical studies of their properties are already underway. The idea presented in this paper is based on the eight-band KP model, including the additional terms related to the structural inversion asymmetry, interfaces inversion asymmetry, the influence of the magnetically content, and the uniaxial strain describe the full pictures of the possible real structure. All of this term, together with the external electric field, can be sources of breaking symmetry in investigated materials. Using the 8 band KP model, we investigated the electronic shape structure with and without magnetic field from the application point of view as a THz detector in a small magnetic field (below 2T). We believe that such structures are the way to get the tunable topological insulators and the multilayer topological insulator. Using the one-dimensional electrons at the topologically protected interface states as fast and collision-free signal carriers as charge and signal carriers, the detection of the optical signal should be fast, which is very important in the high-resolution detection of signals in the THz range. The proposed engineering of the investigated structures is now one of the important steps on the way to get the proper structures with predicted properties.

Keywords: topological insulator, THz spectroscopy, KP model, II-VI compounds

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Authors: Yaling Gou, Sucai Yang, Pengwei Qiao

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Integrated chemical-biological treatment is an attractive alternative to remove polycyclic aromatic hydrocarbons (PAHs) from contaminated soil; wherein indigenous bacteria is the key factor for the biodegradation of residual PAHs concentrations after the application of chemical oxidation. However, the systematical study on the impact of persulfate (PS) oxidation on indigenous bacteria as well as PAHs removal is still scarce. In this study, the influences of different PS dosages (1%, 3%, 6%, and 10% [w/w]), as well as various activation methods (native iron, H2O2, alkaline, ferrous iron, and heat) on PAHs removal and indigenous bacteria in highly contaminated aged soil were investigated. Apparent degradation of PAHs in the soil treated with PS oxidation was observed, and the removal efficiency of total PAHs in the soil ranged from 38.28% to 79.97%. The removal efficiency of total PAHs in the soil increased with increasing consumption of PS. However, the bacterial abundance in soil was negatively affected following oxidation for all of the treatments added with PS, with bacterial abundance in the soil decreased by 0.89~2.88 orders of magnitude compared to the untreated soil. Moreover, the number of total bacteria in the soil decreased as PS consumption increased. Different PS activation methods and PS dosages exhibited different influences on the bacterial community composition. Bacteria capable of degrading PAHs under anoxic conditions were composed predominantly by Proteobacteria and Firmicutes. The total amount of Proteobacteria and Firmicutes also decreased with increasing consumption of PS. The results of this study provide important insight into the design of PAHs contaminated soil remediation projects.

Keywords: activation method, chemical oxidation, indigenous bacteria, polycyclic aromatic hydrocarbon

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Authors: Imen Blibech, Mohiedine Ksantini, Mohamed Bouaziz

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Prays oleae is a major insect of olive in the Mediterranean Region. In an effort to find effective and affordable ways of controlling this pest, larvicidal activity of essential oils from Tunisian Thymus capitatus were analyzed in comparison to Azadirachtin, a biologically active compound insecticide. The essential oils were extracted by hydrodistillation, and their chemical composition was determined by gas liquid-chromatography coupled with mass spectroscopy. The main components of chemical components were oxygenated monoterpenes (60.24%). The most abundant oxygenated monoterpenes were carvacrol (54.11%). Monoterpenes hydrocarbons were much more abundant and dominated by the o-cymene (16.68%). Both active compounds of Azadirachtin and Thymus capitatus oil extracts exhibited significant larvicidal activity against P. oleae with LC50 values 81.30 ppm and 52.49 ppm respectively. Dose-response relationships were established with almost 100% mortality when using the highest dose 100 ppm of T. capitatus oil extracts and 80 ppm of Azadirachtin. At the lowest dose (10 ppm), T. capitatus oil extracts and Azadirachtin caused 60% and 76% larval mortality in 48 hours respectively. The larval mortality rate greatly decreased with increases of the dilution of both oil extract compounds. Larval development duration appeared to be prolonged to about 12 days for larvae feeding on control diet. The maximum antifeedant activity was shown by both T. capitatus oil extract and Azadirachtin at LC90 values (47.5 and 50.1 ppm respectively). Tunisian T. capitatus oil extract used at low concentrations could be considered as eco-friendly promising insecticide similar to Azadirachtin that has significant potential for the biological control of P. oleae.

Keywords: Thymus capitatus, chemical composition, azadirachtin, larvicidal effects, antifeedant activity, Prays oleae

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Authors: Raed Kouta

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A fuel cell is a multi-physical system. Its electrical performance depends on chemical, electrochemical, fluid, and mechanical parameters. Many studies focus on physical and chemical aspects. Our study contributes to the evaluation of the influence of mechanical aspects on the performance of a fuel cell. This study is carried out as part of a reliability approach. Reliability modeling allows to consider the uncertainties of the incoming parameters and the probabilistic modeling of the outgoing parameters. The fuel cell studied is the one often used in land, sea, or air transport. This is the Low-Temperature Proton Exchange Membrane Fuel Cell (PEMFC). This battery can provide the required power level. One of the main scientific and technical challenges in mastering the design and production of a fuel cell is to know its behavior in its actual operating environment. The study proposes to highlight the influence on the production of electrical energy: Mechanical design and manufacturing parameters and their uncertainties (Young module, GDL porosity, permeability, etc.). The influence of the geometry of the bipolar plates is also considered. An experimental design is proposed with two types of materials as well as three geometric shapes for three joining pressures. Other experimental designs are also proposed for studying the influence of uncertainties of mechanical parameters on cell performance. - Mechanical (static, dynamic) and thermal (tightening - compression, vibrations (road rolling and tests on vibration-climatic bench, etc.) loads. This study is also carried out according to an experimental scheme on a fuel cell system for vibration loads recorded on a vehicle test track with three temperatures and three expected performance levels. The work will improve the coupling between mechanical, physical, and chemical phenomena.

Keywords: fuel cell, mechanic, reliability, uncertainties

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Authors: Rifda Naufalin, Nurul Latifasari, Siti Nuryanti, Muna Ridha Hanifah

Abstract:

Kecombrang is a Zingiberaceae plant which has antioxidant properties. The high antioxidant content in kecombrang flowers has the potential to be processed as a functional beverage raw material so that it can be used as an ingredient in making herbal teas. The purpose of this study was to determine the chemical components, physicochemistry, antioxidant activity and sensory characteristics of kecombrang tea. The research methodology was carried out by using a completely randomized design with processing factors of kecombrang tea namely blanching and non-blanching, fermentation and non-fermentation, and the optimal time for drying kecombrang tea. The best treatment combination based on the effective index method is the treatment of the blanching process followed by drying at a temperature of 50ᵒC until the 2% moisture content can produce kecombrang tea with a total phenol content of 5.95 mg Tannic Acid Equivalent (TAE) / gram db, total flavonoid 3%, pH 4.5, and antioxidant activity 82.95%, red color, distinctive aroma of tea, fresh taste, and preferred by panelists.

Keywords: kecombrang tea, blanching, fermentation, total phenol, and antioxidant activity

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Authors: Benhamza Moussa, Aissaoui Marwa, Touati Mounira, Chaoui Widad

Abstract:

The Guelma-Bouchegouf irrigated area is located in the northeast of Algeria, and it extends about 80 km. It was commissioned in 1996, with an irrigable area of 9250 ha, it spreads on both banks of the Seybouse Wadi and it is subdivided into five autonomous distribution sectors. In order to assess the state of groundwater quality, the results of the chemical analyzes were plotted on the Piper diagram, which shows that the chemical facies are sulfate-calcium chloride and sulfate-calcium with a slight tendency to migrate to chlorinated sulphate - sodium. The predominance of sulphates in the waters of the region is geologically explained by the existence in the Guelma Basin of evaporitic deposits, which are mainly represented by rock salt and gypsum. In addition to this natural origin, we can mention the anthropogenic origin, following the use of chemical fertilizers in the Guelma-Bouchegouf irrigated area. Na⁺ and Mg²⁺ show moderate to significant mineralization of water, closely correlated with very high conductivities. The values of the recorded conductivities vary from 1360 μs / cm (P3) to 4610 μs / cm (P10). These important values are due to dissolved salts on the one hand and the leaching of fertilizers by irrigation water on the other hand. NO₃⁻ and NH₄⁺ show little to significant pollution throughout the study area. Phosphate represents significant pollution, with excessive values far exceeding the allowable standard. With respect to ammonium, 87% of the sampling points present little pollution and 13 % significant pollution. Regarding phosphates, in the form of PO₄³⁻, groundwater in the study area represents significant pollution; all values far exceed the allowable standard.

Keywords: groundwater, organic parameters, standards, Pollution

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Authors: Svetlana Guryeva, Inna Kornienko, Andrey Usanov, Dmitry Usanov, Elena Petersen

Abstract:

Every day cells in our organism are exposed to various factors: chemical agents, reactive oxygen species, ionizing radiation, and others. These factors can cause damage to DNA, cellular membrane, intracellular compartments, and proteins. The fate of cells depends on the exposure intensity and duration. The prolonged and intense exposure causes the irreversible damage accumulation, which triggers the permanent cell cycle arrest (cellular senescence) or cell death programs. In the case of low dose of impacts, it can lead to cell renovation and to cell functional state improvement. Therefore, it is a pivotal question to investigate the factors and doses that result in described positive effects. In order to estimate the influence of different agents, the proliferation index and levels of cell death markers (annexin V/propidium iodide), senescence-associated β-galactosidase, and lipofuscin were measured. The experiments were conducted on primary human fibroblasts of the 8th passage. According to the levels of mentioned markers, these cells were defined as senescent cells. The effect of low-frequency magnetic field was investigated. Different modes of magnetic field exposure were tested. The physical agents were compared with chemical agents: metformin (10 mM) and taurine (0.8 mM and 1.6 mM). Cells were incubating with chemicals for 5 days. The highest decrease in the level of senescence-associated β-galactosidase (21%) and lipofuscin (17%) was observed in the primary senescent fibroblasts after 5 days after double treatments with 48 h intervals with low-frequency magnetic field. There were no significant changes in the proliferation index after magnetic field application. The cytotoxic effect of magnetic field was not observed. The chemical agent taurine (1.6 mM) decreased the level of senescence-associated β-galactosidase (23%) and lipofuscin (22%). Metformin improved the activity of senescence-associated β-galactosidase on 15% and the level of lipofuscin on 19% in this experiment. According to these results, the effect of double treatment with 48 h interval with low-frequency magnetic field and the effect of taurine (1.6 mM) were comparable to the effect of metformin, for which anti-aging properties are proved. In conclusion, this study can become the first step towards creation of the standardized system for the investigation of different effects on senescent cells.

Keywords: biomarkers, magnetic field, metformin, primary fibroblasts, senescence, taurine

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Authors: S. Potgieter-Vermaak, N. Bain, A. Brown, K. Shaw

Abstract:

It is well-known from public news media that air pollution is a health hazard and is responsible for early deaths. The quantification of the relationship between air quality and health is a probing question not easily answered. It is known that airborne particulate matter (APM) <2.5µm deposits in the tracheal and alveoli zones and our research probes the possibility of quantifying pulmonary injury by linking reactive oxygen species (ROS) in these particles to DNA damage. Currently, APM mass concentration is linked to early deaths and limited studies probe the influence of other properties on human health. To predict the full extent and type of impact, particles need to be characterised for chemical composition and structure. APMs are routinely analysed for their bulk composition, but of late analysis on a micro level probing single particle character, using micro-analytical techniques, are considered. The latter, single particle analysis (SPA), permits one to obtain detailed information on chemical character from nano- to micron-sized particles. This paper aims to provide a snapshot of studies using data obtained from chemical characterisation and its link with in-vitro studies to inform on personal health risks. For this purpose, two studies will be compared, namely, the bioaccessibility of the inhalable fraction of urban road dust versus total suspended solids (TSP) collected in the same urban environment. The significant influence of metals such as Cu and Fe in TSP on DNA damage is illustrated. The speciation of Hg (determined by SPA) in different urban environments proved to dictate its bioaccessibility in artificial lung fluids rather than its concentration.

Keywords: air pollution, human health, in-vitro studies, particulate matter

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Authors: Jozef Mindas, Jana Skvareninova

Abstract:

Wetlands are a main natural source of methane emissions, but they also represent the important biodiversity reservoirs in the landscape. There are about 26 thousands hectares of wetlands in Slovakia identified via the wetlands monitoring program. Created database of wetlands in Slovakia allows to analyze several ecological processes including also the methane emissions estimate. Based on the information from the database, the first estimate of the methane emissions from wetlands in Slovakia has been done. The IPCC methodology (Tier 1 approach) has been used with proposed emission factors for the ice-free period derived from the climatic data. The highest methane emissions of nearly 550 Gg are associated with the category of fens. Almost 11 Gg of methane is emitted from bogs, and emissions from flooded lands represent less than 8 Gg.

Keywords: bogs, methane emissions, Slovakia, wetlands

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Authors: Kalsoom Shaikh, Ghulam Sarwar Gachal, Saima Memon

Abstract:

Our study aimed to assess diversity and habitats of amphibian fauna in Sindh province as amphibians are among most vulnerable animals and the risk of their extinction is increasing in many parts of world mainly due to habitat degradation. Present study consisted of field surveys and laboratory analytical work; field surveys were carried out to confirm amphibian diversity and collection of water samples from their habitats, whereas laboratory work was conducted for identification of species and analysis of water quality of habitats through physico-chemical parameters. For identification of amphibian species, morphology was thoroughly examined using taxonomic key, whereas water quality was assessed via physico-chemical parameters including pH, electric conductivity (EC), total dissolved solids (TDS), total hardness (T. Hard), total alkalinity (T. Alk), chloride (Cl), carbon dioxide (CO₂), sulfate (SO₄), phosphate (PO₄), nitrite (NO₂) and nitrate (NO₃) using material and methods of analytical grade. pH value was analyzed using pH meter, whereas levels of EC and TDS were recorded using conductivity meter and TDS meter, respectively. Other parameters with exception of non-metallic parameters (SO₄, PO₄, NO₂, and NO₃) were analyzed through distinct titration methods. Concentration of non-metallic parameters was evaluated using ultra-violet spectrophotometer. This study revealed existence of four amphibian species including Hoplobatrachus tigerinus, Euphlyctis cyanophlyctis, Allopa hazarensis belonging to Family Ranidae and Bufo stomaticus (Family Bufonidae) randomly distributed in district Ghotki, Jamshoro, Kashmor, Larkana, Matiari and Shikarpur in Sindh. Assessment of aquatic habitats in different areas found value of parameters as followed: Habitats in district Ghoki (pH: 7.8 ± 0.3, EC: 2165.3 ± 712.6, TDS: 1507.0 ± 413.1, T-Hard: 416.4 ± 67.5, T. Alk: 393.4 ± 78.4, Cl: 362.4 ± 70.1, CO₂: 21.1 ± 3.5, SO₄: 429.3 ± 100.1, PO₄: 487.5 ± 122.5, NO₂: 13.7 ± 1.0, NO₃: 14.7 ± 2.5), district Jamshoro habitats (pH: 8.1 ± 0.4, EC: 2403.8 ± 55.4, TDS: 1697.2 ± 77.0, T. Hard: 548.7 ± 43.2, T. Alk: 294.4 ± 29.0, Cl: 454.7 ± 50.8 CO₂: 16.9 ± 2.4, SO₄: 713.0 ± 49.3, PO₄: 826.2 ± 53.0, NO₂: 15.2 ± 3.4, NO₃: 21.6 ± 3.7), habitats in Kashmor district (pH: 8.0 ± 0.5, EC: 2450.3 ± 610.9, TDS: 1745.3 ± 440.9, T. Hard: 624.6 ± 305.8, T. Alk: 445.7 ± 120.5, Cl: 448.9 ± 128.8, CO₂: 18.9 ± 4.5, SO₄: 619.8 ± 205.8, PO₄: 474.1 ± 94.2, NO₂: 15.2 ± 3.1, NO₃ 14.3 ± 2.6), district Larkana habitats (pH: 8.4 ± 0.4, EC: 2555.8 ± 70.3, TDS: 1784.4 ± 36.9, T. Hard: 623.0 ± 42.5, T. Alk: 329.6 ± 36.7, Cl: 614.3 ± 89.5, CO₂: 17.6 ± 1.2, SO₄: 845.1 ± 67.6, PO₄: 895.0 ± 61.4, NO₂: 13.6 ± 3.8, NO₃: 23.1 ± 2.8), district Matiari habitats (pH: 8.0 ± 0.4 EC: 2492.3 ± 928.1, TDS: 430.0 ± 161.3, T. Hard: 396.7 ± 183.3, T. Alk: 388.1 ± 97.4, Cl: 551.6 ± 73.4, CO₂: 15.8 ± 2.9, SO₄: 576.5 ± 200.0, PO₄: 434.7 ± 100.6, NO₂: 15.8 ± 2.9, NO₃: 15.2 ± 3.0) and habitats in Shikarpur district (pH: 8.1 ± 0.6, EC: 2191.7 ± 765.1, TDS: 1764.9 ± 409.2, T. Hard: 431.9 ± 68.4,T. Alk: 350.3 ± 44.3, Cl: 381.5 ± 29.5, CO₂: 18.0 ± 4.0, SO₄: 518.8 ± 97.9, PO₄: 493.6 ± 64.6, NO₂: 14.0 ± 0.8, NO₃: 16.1 ± 2.8). Values of physico-chemical parameters were found higher than permissible level of Environmental Protectiona Agency (EPA). Monthly variation in concentration of physico-chemical parameters was also prominently recorded at all the study locals. This study discovered poor diversity of amphibian fauna and condition of their habitats was also observed as pitiable. This study established base line information that may be used in execution of an effective management plan and future monitoring of amphibian diversity and their habitats in Sindh.

Keywords: amphibians, diversity, habitats, Pakistan, Sindh

Procedia PDF Downloads 159