Search results for: path formation
1923 Properties and Antimicrobial Activity of Fish Protein Isolate/Fish Skin Gelatin Film Containing Basil Leaf Essential Oil and Zinc Oxide Nanoparticles
Authors: Yasir Ali Arfat
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Composite films based on fish protein isolate (FPI) and fish skin gelatin (FSG) blend incorporated with 50 and 100% (w/w, protein) basil leaf essential oil (BEO) in the absence and presence of 3% (w/w, protein) ZnO nanoparticles (ZnONP) were prepared and characterised. Tensile strength (TS) decreased, whilst elongation at break (EAB) increased as BEO level increased (p < 0.05). However, ZnONP addition resulted in higher TS but lower EAB (p < 0.05). The lowest water vapour permeability (WVP) was observed for the film incorporated with 100% BEO and 3% ZnONP (p < 0.05). BEO and ZnONP incorporation decreased transparency of FPI/FSG films (p < 0.05). FTIR spectra indicated that films added with BEO exhibited higher hydrophobicity. Both BEO and ZnONP had a marked impact on thermal stability of the films. Microstructural study revealed that presence of ZnONP prevented bilayer formation of film containing 100% BEO. FPI/FSG films incorporated with 100% BEO, especially in combination with ZnONP, exhibited strong antibacterial activity against food pathogenic and spoilage bacteria and thus could be used as an active food packaging material to ensure safety and to extend the shelf-life of packaged foods.Keywords: bionanocomposite, fish protein isolate, fish skin gelatin, basil essential oil, ZnO nanoparticles, antimicrobial packaging
Procedia PDF Downloads 4711922 Revealing the Structural and Dynamic Properties of Betaine Aldehyde Dehydrogenase 2 from Rice (Oryza sativa): Simulation Studies
Authors: Apisaraporn Baicharoen, Prapasiri Pongprayoon
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Betaine aldehyde dehydrogenase 2 (BADH2) is an enzyme that inhibits the accumulation of 2-acetyl-1-pyrroline (2AP), a potent flavor compound in rice fragrance. BADH2 contains three domains (NAD-binding, substrate-binding, and oligomerization domains). It catalyzes the oxidation of amino aldehydes. The lack of BADH2 results in the formation of 2AP and consequently an increase in rice fragrance. To date, inadequate data on BADH2 structure and function are available. An insight into the nature of BADH2 can serve as one of key starting points for the production of high quality fragrant rice. In this study, we therefore constructed the homology model of BADH2 and employed 500-ns Molecular Dynamics simulations (MD) to primarily understand the structural and dynamic properties of BADH2. Initially, Ramachandran plot confirms the good quality of modeled protein structure. Principle Component Analysis (PCA) was also calculated to capture the protein dynamics. Among 3 domains, the results show that NAD binding site is found to be more flexible. Moreover, interactions from key amino acids (N162, E260, C294, and Y419) that are crucial for function are investigated.Keywords: betaine aldehyde dehydrogenase 2, fragrant rice, homology modeling, molecular dynamics simulations
Procedia PDF Downloads 2151921 Comparative Study in Evaluating the Antioxidation Efficiency for Native Types Antioxidants Extracted from Crude Oil with the Synthesized Class
Authors: Mohammad Jamil Abd AlGhani
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The natural native antioxidants N,N-P-methyl phenyl acetone and N,N-phenyl acetone were isolated from the Iraqi crude oil region of Kirkuk by ion exchange and their structure was characterized by spectral and chemical analysis methods. Tetraline was used as a liquid hydrocarbon to detect the efficiency of isolated molecules at elevated temperature (393 K) that it has physicochemical specifications and structure closed to hydrocarbons fractionated from crude oil. The synthesized universal antioxidant 2,6-ditertiaryisobutyl-p-methyl phenol (Unol) with known stochiometric coefficient of inhibition equal to (2) was used as a model for comparative evaluation at the same conditions. Modified chemiluminescence method was used to find the amount of absorbed oxygen and the induction periods in and without the existence of isolated antioxidants molecules. The results of induction periods and quantity of absorbed oxygen during the oxidation process were measured by manometric installation. It was seen that at specific equal concentrations of N,N-phenyl acetone and N, N-P-methyl phenyl acetone in comparison with Unol at 393 K were with (2) and (2.5) times efficient than do Unol. It means that they had the ability to inhibit the formation of new free radicals and prevent the chain reaction to pass from the propagation to the termination step rather than decomposition of formed hydroperoxides.Keywords: antioxidants, chemiluminescence, inhibition, Unol
Procedia PDF Downloads 2001920 Level Set Based Extraction and Update of Lake Contours Using Multi-Temporal Satellite Images
Authors: Yindi Zhao, Yun Zhang, Silu Xia, Lixin Wu
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The contours and areas of water surfaces, especially lakes, often change due to natural disasters and construction activities. It is an effective way to extract and update water contours from satellite images using image processing algorithms. However, to produce optimal water surface contours that are close to true boundaries is still a challenging task. This paper compares the performances of three different level set models, including the Chan-Vese (CV) model, the signed pressure force (SPF) model, and the region-scalable fitting (RSF) energy model for extracting lake contours. After experiment testing, it is indicated that the RSF model, in which a region-scalable fitting (RSF) energy functional is defined and incorporated into a variational level set formulation, is superior to CV and SPF, and it can get desirable contour lines when there are “holes” in the regions of waters, such as the islands in the lake. Therefore, the RSF model is applied to extracting lake contours from Landsat satellite images. Four temporal Landsat satellite images of the years of 2000, 2005, 2010, and 2014 are used in our study. All of them were acquired in May, with the same path/row (121/036) covering Xuzhou City, Jiangsu Province, China. Firstly, the near infrared (NIR) band is selected for water extraction. Image registration is conducted on NIR bands of different temporal images for information update, and linear stretching is also done in order to distinguish water from other land cover types. Then for the first temporal image acquired in 2000, lake contours are extracted via the RSF model with initialization of user-defined rectangles. Afterwards, using the lake contours extracted the previous temporal image as the initialized values, lake contours are updated for the current temporal image by means of the RSF model. Meanwhile, the changed and unchanged lakes are also detected. The results show that great changes have taken place in two lakes, i.e. Dalong Lake and Panan Lake, and RSF can actually extract and effectively update lake contours using multi-temporal satellite image.Keywords: level set model, multi-temporal image, lake contour extraction, contour update
Procedia PDF Downloads 3661919 Drivers for Relationship Building in the Supply Chain: The Case of Luxury Food
Authors: Kateryna Merkulova, Alessio Castello, Maria Kreuzer
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This research investigates the drivers of long-term relationship building between customers and suppliers within the luxury food supply chain, a topic that remains largely unexplored in the current state of academic literature. This paper identifies for the first time the key elements that influence the formation and maintenance of effective supply chain relationships, which are crucial for navigating the complexities of the luxury food industry. In particular, it explores the critical role of trust in a business-to-business context, specifically emphasizing its significance in the luxury food supply chain. Empirically, this research is contextualized in the region of the French Riviera, which offers a gastronomic playground for food enthusiasts, making it ideally suited to explore the luxury food sector. Qualitative in-depth interviews with stakeholders along the luxury supply chain (i.e., suppliers, chefs, restaurant owners, and fine food shop managers) allow identifying key drivers of trustful business relationships. Triangulating different perspectives of stakeholders within the luxury supply chain adds validity and robustness to the findings. The findings have important theoretical and managerial implications for the effective functioning of long-term supplier-buyer relationships.Keywords: luxury food, relationship building, B2B, supply chain, trust
Procedia PDF Downloads 521918 Improvement of Model for SIMMER Code for SFR Corium Relocation Studies
Authors: A. Bachrata, N. Marie, F. Bertrand, J. B. Droin
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The in-depth understanding of severe accident propagation in Generation IV of nuclear reactors is important so that appropriate risk management can be undertaken early in their design process. This paper is focused on model improvements in the SIMMER code in order to perform studies of severe accident mitigation of Sodium Fast Reactor. During the design process of the mitigation devices dedicated to extraction of molten fuel from the core region, the molten fuel propagation from the core up to the core catcher has to be studied. In this aim, analytical as well as the complex thermo-hydraulic simulations with SIMMER-III code are performed. The studies presented in this paper focus on physical phenomena and associated physical models that influence the corium relocation. Firstly, the molten pool heat exchange with surrounding structures is analysed since it influences directly the instant of rupture of the dedicated tubes favouring the corium relocation for mitigation purpose. After the corium penetration into mitigation tubes, the fuel-coolant interactions result in formation of debris bed. Analyses of debris bed fluidization as well as sinking into a fluid are presented in this paper.Keywords: corium, mitigation tubes, SIMMER-III, sodium fast reactor
Procedia PDF Downloads 3881917 Theoretical Study of Acetylation of P-Methylaniline Catalyzed by Cu²⁺ Ions
Authors: Silvana Caglieri
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Theoretical study of acetylation of p-methylaniline catalyzed by Cu2+ ions from the analysis of intermediate of the reaction was carried out. The study of acetylation of amines is of great interest by the utility of its products of reaction and is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting amino groups in a multistep synthetic process. Acetylation of amine is a nucleophilic substitution reaction. This reaction can be catalyzed by Lewis acid, metallic ion. In reaction mechanism, the metallic ion formed a complex with the oxygen of the acetic anhydride carbonyl, facilitating the polarization of the same and the successive addition of amine at the position to form a tetrahedral intermediate, determining step of the rate of the reaction. Experimental work agreed that this reaction takes place with the formation of a tetrahedral intermediate. In the present theoretical work were investigated the structure and energy of the tetrahedral intermediate of the reaction catalyzed by Cu2+ ions. Geometries of all species involved in the acetylation were made and identified. All of the geometry optimizations were performed by the method at the DFT/B3LYP level of theory and the method MP2. Were adopted the 6-31+G* basis sets. Energies were calculated using the Mechanics-UFF method. Following the same procedure it was identified the geometric parameters and energy of reaction intermediate. The calculations show 61.35 kcal/mol of energy for the tetrahedral intermediate and the energy of activation for the reaction was 15.55 kcal/mol.Keywords: amides, amines, DFT, MP2
Procedia PDF Downloads 2831916 In vitro Effects of Viscum album on the Functionality of Rabbit Spermatozoa
Authors: Marek Halenár, Eva Tvrdá, Simona Baldovská, Ľubomír Ondruška, Peter Massányi, Adriana Kolesárová
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This study aimed to assess the in vitro effects of different concentrations of the Viscum album extract on the motility, viability, and reactive oxygen species (ROS) production by rabbit spermatozoa during different time periods (0, 2, and 8h). Spermatozoa motility was assessed by using the CASA (Computer aided sperm analysis) system. Cell viability was evaluated by using the metabolic activity MTT assay, and the luminol-based luminometry was applied to quantify the ROS formation. The CASA analysis revealed that low Viscum concentrations were able to prevent a rapid decline of spermatozoa motility, especially in the case of concentrations ranging between 1 and 5 µg/mL (P<0.05 with respect to time 8h). At the same time, concentrations ranging between 1 and 100 µg/mL of the extract led to a significant preservation of the cell viability (P<0.05 in case of 5, 50 and 100 µg/mL; P<0.01 with respect to 1 and 10 µg/mL, time 8h). 1 and 5 µg/mL of the extract exhibited antioxidant characteristics, translated into a significant reduction of the ROS production, particularly notable at time 8h (P<0.01). The results indicate that the Viscum extract is capable of delaying the damage inflicted to the spermatozoon by the in vitro environment.Keywords: CASA, mistletoe, mitochondrial activity, motility, reactive oxygen species, rabbits, spermatozoa, Viscum album
Procedia PDF Downloads 3941915 Hybrid Fixation in Management of Proximal Diaphyseal Forearm Bone Fractures in Children
Authors: Tarek Aly
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Introduction: Maintenance of the length, providing rotational stability, and preserving functional range of forearm motion is the mainstay of both bone forearm fractures treatment. Conservative treatment in older children may lead to malunion with poor remodeling capacity. Recent studies emphasized that the rate of complications with IM nailing was obviously increased in old children. Open reduction and internal fixation have been criticized for the amount of soft tissue dissection and periosteal stripping needed for fixation and excessive scar formation. The aim of this study was to evaluate the anatomical and functional outcomes of hybrid fixation in the treatment of closed proximal radius and ulna fractures in adolescents between 12 and 17 years of age. Patients and Methods: 30 cases of diaphyseal both bone forearm fractures treated with hybrid fixation (Nail radius – Plate ulna) and were available for a follow-up period of fewer than 24 months. Results: Clinically, 72% of cases had an excellent function, 22% had a good function, 4% had a fair function, and 2% had a poor function. Radiologically, signs of the union had appeared in the radius 2weeks earlier than in the ulna in 55% of cases. Conclusion: A hybrid fixation technique in adolescent proximal both-bones forearm fractures could be a viable option in managing these injuries.Keywords: hyprid fixation, both bones, forearm, fractures
Procedia PDF Downloads 981914 Preparation and in vitro Bactericidal and Fungicidal Efficiency of NanoSilver/Methylcellulose Hydrogel
Authors: A. Panacek, M. Kilianova, R. Prucek, V. Husickova, R. Vecerova, M. Kolar, L. Kvitek, R. Zboril
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In this work we describe the preparation of NanoSilver/methylcellulose hydrogel containing silver nanoparticles (NPs) for topical bactericidal applications. Highly concentrated dispersion of silver NPs as high as of 5g/L of silver with diameter of 10nm was prepared by reduction of AgNO3 via strong reducing agent NaBH4. Silver NPs were stabilized by addition of sodium polyacrylate in order to prevent their aggregation at such high concentration. This way synthesized silver NPs were subsequently incorporated into methylcellulose suspension at elevated temperature resulting in formation of NanoSilver/methylcellulose hydrogel when temperature cooled down to laboratory conditions. In vitro antibacterial activity assay proved high bactericidal and fungicidal efficiency of silver NPs alone in the form of dispersion as well as in the form of hydrogel against broad spectrum of bacteria and yeasts including highly multiresistant strains such as methicillin-resistant Staphylococcus aureus. A very low concentrations of silver as low as 0.84mg/L Ag in as-prepared dispersion gave antibacterial performance. NanoSilver/methylcellulose hydrogel showed antibacterial action at the lowest used silver concentration equal to 25mg/L. Such prepared NanoSilver/methylcellulose hydrogel represent promising topical antimicrobial formulation for treatment of burns and wounds.Keywords: antimicrobial, burn, hydrogel, silver NPs
Procedia PDF Downloads 4501913 Measurement of Ionospheric Plasma Distribution over Myanmar Using Single Frequency Global Positioning System Receiver
Authors: Win Zaw Hein, Khin Sandar Linn, Su Su Yi Mon, Yoshitaka Goto
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The Earth ionosphere is located at the altitude of about 70 km to several 100 km from the ground, and it is composed of ions and electrons called plasma. In the ionosphere, these plasma makes delay in GPS (Global Positioning System) signals and reflect in radio waves. The delay along the signal path from the satellite to the receiver is directly proportional to the total electron content (TEC) of plasma, and this delay is the largest error factor in satellite positioning and navigation. Sounding observation from the top and bottom of the ionosphere was popular to investigate such ionospheric plasma for a long time. Recently, continuous monitoring of the TEC using networks of GNSS (Global Navigation Satellite System) observation stations, which are basically built for land survey, has been conducted in several countries. However, in these stations, multi-frequency support receivers are installed to estimate the effect of plasma delay using their frequency dependence and the cost of multi-frequency support receivers are much higher than single frequency support GPS receiver. In this research, single frequency GPS receiver was used instead of expensive multi-frequency GNSS receivers to measure the ionospheric plasma variation such as vertical TEC distribution. In this measurement, single-frequency support ublox GPS receiver was used to probe ionospheric TEC. The location of observation was assigned at Mandalay Technological University in Myanmar. In the method, the ionospheric TEC distribution is represented by polynomial functions for latitude and longitude, and parameters of the functions are determined by least-squares fitting on pseudorange data obtained at a known location under an assumption of thin layer ionosphere. The validity of the method was evaluated by measurements obtained by the Japanese GNSS observation network called GEONET. The performance of measurement results using single-frequency of GPS receiver was compared with the results by dual-frequency measurement.Keywords: ionosphere, global positioning system, GPS, ionospheric delay, total electron content, TEC
Procedia PDF Downloads 1371912 Experimental Study of the Fiber Dispersion of Pulp Liquid Flow in Channels with Application to Papermaking
Authors: Masaru Sumida
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This study explored the feasibility of improving the hydraulic headbox of papermaking machines by studying the flow of wood-pulp suspensions behind a flat plate inserted in parallel and convergent channels. Pulp fiber concentrations of the wake downstream of the plate were investigated by flow visualization and optical measurements. Changes in the time-averaged and fluctuation of the fiber concentration along the flow direction were examined. In addition, the control of the flow characteristics in the two channels was investigated. The behaviors of the pulp fibers and the wake flow were found to be strongly related to the flow states in the upstream passages partitioned by the plate. The distribution of the fiber concentration was complex because of the formation of a thin water layer on the plate and the generation of Karman’s vortices at the trailing edge of the plate. Compared with the flow in the parallel channel, fluctuations in the fiber concentration decreased in the convergent channel. However, at low flow velocities, the convergent channel has a weak effect on equilibrating the time-averaged fiber concentration. This shows that a rectangular trailing edge cannot adequately disperse pulp suspensions; thus, at low flow velocities, a convergent channel is ineffective in ensuring uniform fiber concentration.Keywords: fiber dispersion, headbox, pulp liquid, wake flow
Procedia PDF Downloads 3851911 Prediction of Deformations of Concrete Structures
Authors: A. Brahma
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Drying is a phenomenon that accompanies the hardening of hydraulic materials. It can, if it is not prevented, lead to significant spontaneous dimensional variations, which the cracking is one of events. In this context, cracking promotes the transport of aggressive agents in the material, which can affect the durability of concrete structures. Drying shrinkage develops over a long period almost 30 years although most occurred during the first three years. Drying shrinkage stabilizes when the material is water balance with the external environment. The drying shrinkage of cementitious materials is due to the formation of capillary tensions in the pores of the material, which has the consequences of bringing the solid walls of each other. Knowledge of the shrinkage characteristics of concrete is a necessary starting point in the design of structures for crack control. Such knowledge will enable the designer to estimate the probable shrinkage movement in reinforced or prestressed concrete and the appropriate steps can be taken in design to accommodate this movement. This study is concerned the modelling of drying shrinkage of the hydraulic materials and the prediction of the rate of spontaneous deformations of hydraulic materials during hardening. The model developed takes in consideration the main factors affecting drying shrinkage. There was agreement between drying shrinkage predicted by the developed model and experimental results. In last we show that developed model describe the evolution of the drying shrinkage of high performances concretes correctly.Keywords: drying, hydraulic concretes, shrinkage, modeling, prediction
Procedia PDF Downloads 3371910 TiO2/Clay Minerals (Palygorskite/Halloysite) Nanocomposite Coatings for Water Disinfection
Authors: Dionisios Panagiotaras, Dimitrios Papoulis, Elias Stathatos
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Microfibrous palygorskite and tubular halloysite clay mineral combined with nanocrystalline TiO2 are incorporating in the preparation of nanocomposite films on glass substrates via sol-gel route at 450 °C. The synthesis is employing nonionic surfactant molecule as pore directing agent along with acetic acid-based sol-gel route without addition of water molecules. Drying and thermal treatment of composite films ensure elimination of organic material lead to the formation of TiO2 nanoparticles homogeneously distributed on the palygorskite or halloysite surfaces. Nanocomposite films without cracks of active anatase crystal phase on palygorskite and halloysite surfaces are characterized by microscopy techniques, UV-Vis spectroscopy, and porosimetry methods in order to examine their structural properties. The composite palygorskite-TiO2 and halloysite-TiO2 films with variable quantities of palygorskite and halloysite were tested as photocatalysts in the photo-oxidation of Basic Blue 41 azo dye in water. These nanocomposite films proved to be most promising photocatalysts and highly effective to dye’s decoloration in spite of small amount of palygorskite -TiO2 or halloysite- TiO2 catalyst immobilized onto glass substrates mainly due to the high surface area and uniform distribution of TiO2 on clay minerals avoiding aggregation.Keywords: halloysite, palygorskite, photocatalysis, titanium dioxide
Procedia PDF Downloads 3151909 Physico-Chemical Basis of Thermal Destruction of Benzo(a)Pyrene and Reducing Their Concentration in the Gas Phase
Authors: K. A. Kemelov, Z. K. Maymekov, D. A. Sambaeva, W. Frenzel
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Benzo(a)pyrene is widespread carcinogenic and mutagenic environmental pollutant, which is formed in combustion processes of carbonaceous materials at high temperature and still health safety problem related benz(a)pyrene continues to remain actual. At the moment the mechanisms of formation of benzo(a)pyrene are not studied in detail, there is not concrete certain full scheme of synthesis of benzo(a)pyrene. Studies in this area are mainly dedicated to development of measuring tools and chemical reactions analyzes, or to obtain specific evidence of a large group of polycyclic aromatic hydrocarbons (PAHs). Consequently in this study we try to create physical and chemical model of oxidation and thermo destruction processes of benzo(a)pyrene, using critical thermodynamical parameters in order to estimate theoretical derivatives of benzo(a)pyrene and which conditions benzo(a)pyrene degraded into more harmful substances. According to this physical and chemical modeling of thermal destruction process of benzo(a)pyrene in wide ranges of change of temperature value were calculated. C20H12 - H2O-O2 system was taken for modeling of thermal destruction process of benzo(a)pyrene in order to establish distribution range of equilibrium structures and concentrations of molecules in a gas phase. Also technological ways of reduction of concentration of benzo(a)pyrene in a gas phase were supposed.Keywords: benzo(a)pyrene, emission, PAH, thermodynamic parameters
Procedia PDF Downloads 2981908 Influence of Annealing Temperature on Optical, Anticandidal, Photocatalytic and Dielectric Properties of ZnO/TiO2 Nanocomposites
Authors: Wasi Khan, Suboohi Shervani, Swaleha Naseem, Mohd. Shoeb, J. A. Khan, B. R. Singh, A. H. Naqvi
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We have successfully synthesized ZnO/TiO2 nanocomposite using a two-step solochemical synthesis method. The influence of annealing temperature on microstructural, optical, anticandidal, photocatalytic activities and dielectric properties were investigated. X-ray diffraction (XRD) and scanning electron microscopy (SEM) show the formation of nanocomposite and uniform surface morphology of all samples. The UV-Vis spectra indicate decrease in band gap energy with increase in annealing temperature. The anticandidal activity of ZnO/TiO2 nanocomposite was evaluated against MDR C. albicans 077. The in-vitro killing assay revealed that the ZnO/TiO2 nanocomposite efficiently inhibit the growth of the C. albicans 077. The nanocomposite also exhibited the photocatalytic activity for the degradation of methyl orange as a function of time at 465 nm wavelength. The electrical behaviour of composite has been studied over a wide range of frequencies at room temperature using complex impedance spectroscopy. The dielectric constants, dielectric loss and ac conductivity (σac) were studied as the function of frequency, which have been explained by ‘Maxwell Wagner Model’. The data reveals that the dielectric constant and loss (tanδ) exhibit the normal dielectric behavior and decreases with the increase in frequency.Keywords: ZnO/TiO2 nanocomposites, SEM, photocatalytic activity, dielectric properties
Procedia PDF Downloads 4061907 Effects of Soil Erosion on Vegetation Development
Authors: Josephine Wanja Nyatia
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The relationship between vegetation and soil erosion deserves attention due to its scientific importance and practical applications. A great deal of information is available about the mechanisms and benefits of vegetation in the control of soil erosion, but the effects of soil erosion on vegetation development and succession is poorly documented. Research shows that soil erosion is the most important driving force for the degradation of upland and mountain ecosystems. Soil erosion interferes with the process of plant community development and vegetation succession, commencing with seed formation and impacting throughout the whole growth phase and affecting seed availability, dispersal, germination and establishment, plant community structure and spatial distribution. There have been almost no studies on the effects of soil erosion on seed development and availability, of surface flows on seed movement and redistribution, and their influences on soil seed bank and on vegetation establishment and distribution. However, these effects may be the main cause of low vegetation cover in regions of high soil erosion activity, and these issues need to be investigated. Moreover, soil erosion is not only a negative influence on vegetation succession and restoration but also a driving force of plant adaptation and evolution. Consequently, we need to study the effects of soil erosion on ecological processes and on development and regulation of vegetation succession from the points of view of pedology and vegetation, plant and seed ecology, and to establish an integrated theory and technology for deriving practical solutions to soil erosion problemsKeywords: soil erosion, vegetation, development, seed availability
Procedia PDF Downloads 851906 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study
Authors: Ankur Chaudhuri, Sibani Sen Chakraborty
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In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation
Procedia PDF Downloads 1311905 Solubility of Water in CO2 Mixtures at Pipeline Operation Conditions
Authors: Mohammad Ahmad, Sander Gersen, Erwin Wilbers
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Carbon capture, transport and underground storage have become a major solution to reduce CO2 emissions from power plants and other large CO2 sources. A big part of this captured CO2 stream is transported at high pressure dense phase conditions and stored in offshore underground depleted oil and gas fields. CO2 is also transported in offshore pipelines to be used for enhanced oil and gas recovery. The captured CO2 stream with impurities may contain water that causes severe corrosion problems, flow assurance failure and might damage valves and instrumentations. Thus, free water formation should be strictly prevented. The purpose of this work is to study the solubility of water in pure CO2 and in CO2 mixtures under real pipeline pressure (90-150 bar) and temperature operation conditions (5-35°C). A set up was constructed to generate experimental data. The results show the solubility of water in CO2 mixtures increasing with the increase of the temperature or/and with the increase in pressure. A drop in water solubility in CO2 is observed in the presence of impurities. The data generated were then used to assess the capabilities of two mixture models: the GERG-2008 model and the EOS-CG model. By generating the solubility data, this study contributes to determine the maximum allowable water content in CO2 pipelines.Keywords: carbon capture and storage, water solubility, equation of states, fluids engineering
Procedia PDF Downloads 3021904 Landslide Susceptibility Mapping: A Comparison between Logistic Regression and Multivariate Adaptive Regression Spline Models in the Municipality of Oudka, Northern of Morocco
Authors: S. Benchelha, H. C. Aoudjehane, M. Hakdaoui, R. El Hamdouni, H. Mansouri, T. Benchelha, M. Layelmam, M. Alaoui
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The logistic regression (LR) and multivariate adaptive regression spline (MarSpline) are applied and verified for analysis of landslide susceptibility map in Oudka, Morocco, using geographical information system. From spatial database containing data such as landslide mapping, topography, soil, hydrology and lithology, the eight factors related to landslides such as elevation, slope, aspect, distance to streams, distance to road, distance to faults, lithology map and Normalized Difference Vegetation Index (NDVI) were calculated or extracted. Using these factors, landslide susceptibility indexes were calculated by the two mentioned methods. Before the calculation, this database was divided into two parts, the first for the formation of the model and the second for the validation. The results of the landslide susceptibility analysis were verified using success and prediction rates to evaluate the quality of these probabilistic models. The result of this verification was that the MarSpline model is the best model with a success rate (AUC = 0.963) and a prediction rate (AUC = 0.951) higher than the LR model (success rate AUC = 0.918, rate prediction AUC = 0.901).Keywords: landslide susceptibility mapping, regression logistic, multivariate adaptive regression spline, Oudka, Taounate
Procedia PDF Downloads 1881903 Multiple Shoot Induction and Plant Regeneration of Kepuh (Sterculia foetida L.) Tissue Culture
Authors: Titin Handayani, Endang Yuniastuti
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Kepuh (Sterculia foetida L.) is a potential plant contain mainly oil seeds that can be used as a source of alternative bioenergy and medicine. The main problem of kepuh cultivation is the limited supply of seed plants. Seeds development were very easy, but to produce fruit have to wait for approximately 5 years. The objective of this research was to obtain kepuh plants through direct in vitro regeneration. Hypocotyls and shoot tips explants were excised from sterile germinated seedlings and placed on shoot induction medium containing basal salts of Murashige and Skoog (MS) and various concentrations of plant growth regulators. The results showed that shoots induction from the apical and axillary buds on MS medium + 1.5 and 2 mg/L BAP and 0.5 and 1 mg/L IAA was growth very slowly. Increasing of BAP concentrations was increased shoot formation. The first subcultures were increased the rate of shoots growth on MS medium supplemented with 2 mg/L BAP and 0.5 mg/L IAA. The second of shoots subculture on MS medium + 1.5 to 2 mg/L BAP + 0.5 mg/L IAA was increased the number of shoots up to 4.8 in average. The best medium of shoots elongation were MS + 1 mgL-1 kinetin + 5 mg/L GA3. The highest percentage of roots (65%) occurred on MS medium with 5 mg/L IBA which average number of roots was 3.1. High percentages of survival and plants of normal appearance were obtained after five weeks of acclimatization.Keywords: Kepuh, Sterculia foetida L, shoot multiplication, rooting, acclimatization, bioenergy, medicine
Procedia PDF Downloads 2961902 Investigation of Corrosion of Steel Buried in Unsaturated Soil in the Presence of Cathodic Protection: The Modified Voltammetry Technique
Authors: Mandlenkosi G. R. Mahlobo, Peter A. Olubambi, Philippe Refait
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The aim of this study was to use voltammetry as a method to understand the behaviour of steel in unsaturated soil in the presence of cathodic protection (CP). Three carbon steel coupons were buried in artificial soil wetted at 65-70% of saturation for 37 days. All three coupons were left at open circuit potential (OCP) for the first seven days in the unsaturated soil before CP, which was only applied on two of the three coupons at the protection potential -0.8 V vs Cu/CuSO₄ for the remaining 30 days of the experiment. Voltammetry was performed weekly on the coupon without CP, while electrochemical impedance spectroscopy (EIS) was performed daily to monitor and correct the applied CP potential from the ohmic drop. Voltammetry was finally performed on the last day on the coupons under CP. All the voltammograms were modeled with mathematical equations in order to compute the electrochemical parameters and subsequently deduced the corrosion rate of the steel coupons. For the coupon without CP, the corrosion rate was determined at 300 µm/y. For the coupons under CP, the residual corrosion rate under CP was estimated at 12 µm/y while the corrosion rate of the coupons, after interruption of CP, was estimated at 25 µm/y. This showed that CP was efficient due to two effects: a direct effect from the decreased potential and an induced effect associated with the increased interfacial pH that promoted the formation of a protective layer on the steel surface.Keywords: carbon steel, cathodic protection, voltammetry, unsaturated soil, Raman spectroscopy
Procedia PDF Downloads 631901 Biotechnology Sector in the Context of National Innovation System: The Case of Norway
Authors: Parisa Afshin, Terje Grønning
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Norway, similar to many other countries, has set the focus of its policies in creating new strong and highly innovative sectors in recent years, as the oil and gas sector profitability is declining. Biotechnology sector in Norway has a great potential, especially in marine-biotech and cancer medicine. However, Norway being a periphery faces especial challenges in the path of creating internationally well-known biotech sector and an international knowledge hub. The aim of this article is to analyze the progress of the Norwegian biotechnology industry, its pathway to build up an innovation network and conduct collaborative innovation based on its initial conditions and its own advantage and disadvantages. The findings have important implications not only for politicians and academic in understanding the infrastructure of biotechnology sector in the country, but it has important lessons for other periphery countries or regions aiming in creating strong biotechnology sector and catching up with the strong internationally-recognized regions. Data and methodology: To achieve the main goal of this study, information has been collected via secondary resources such as web pages and annual reports published by the officials and mass media along with interviews were used. The data were collected with the goal to shed light on a brief history and current status of Norway biotechnology sector, as well as geographic distribution of biotech industry, followed by the role of academic and industry collaboration and public policies in Norway biotech. As knowledge is the key input in innovation, knowledge perspective of the system such as knowledge flow in the sector regarding the national and regional innovation system has been studied. Primary results: The internationalization has been an important element in development of periphery regions' innovativeness enabling them to overcome their weakness while putting more weight on the importance of regional policies. Following such findings, suggestions on policy decision and international collaboration, regarding national and regional system of innovation, has been offered as means of promoting strong innovative sector.Keywords: biotechnology sector, knowledge-based industry, national innovation system, regional innovation system
Procedia PDF Downloads 2251900 Applying Multiple Kinect on the Development of a Rapid 3D Mannequin Scan Platform
Authors: Shih-Wen Hsiao, Yi-Cheng Tsao
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In the field of reverse engineering and creative industries, applying 3D scanning process to obtain geometric forms of the objects is a mature and common technique. For instance, organic objects such as faces and nonorganic objects such as products could be scanned to acquire the geometric information for further application. However, although the data resolution of 3D scanning device is increasing and there are more and more abundant complementary applications, the penetration rate of 3D scanning for the public is still limited by the relative high price of the devices. On the other hand, Kinect, released by Microsoft, is known for its powerful functions, considerably low price, and complete technology and database support. Therefore, related studies can be done with the applying of Kinect under acceptable cost and data precision. Due to the fact that Kinect utilizes optical mechanism to extracting depth information, limitations are found due to the reason of the straight path of the light. Thus, various angles are required sequentially to obtain the complete 3D information of the object when applying a single Kinect for 3D scanning. The integration process which combines the 3D data from different angles by certain algorithms is also required. This sequential scanning process costs much time and the complex integration process often encounter some technical problems. Therefore, this paper aimed to apply multiple Kinects simultaneously on the field of developing a rapid 3D mannequin scan platform and proposed suggestions on the number and angles of Kinects. In the content, a method of establishing the coordination based on the relation between mannequin and the specifications of Kinect is proposed, and a suggestion of angles and number of Kinects is also described. An experiment of applying multiple Kinect on the scanning of 3D mannequin is constructed by Microsoft API, and the results show that the time required for scanning and technical threshold can be reduced in the industries of fashion and garment design.Keywords: 3D scan, depth sensor, fashion and garment design, mannequin, multiple Kinect sensor
Procedia PDF Downloads 3661899 The Relation between Vitamin C and Oral Health
Authors: Mai Ashraf Talaat
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Background: Vitamin C (ascorbic acid) is an essential nutrient for the development and repair of all body tissues. It can be obtained from a healthy diet or through supplementation. Due to its importance, vitamin C has become a mainstay in the treatment and prevention of many diseases and in maintaining immune, skin, bone and overall health. This review article aims to discuss the studies and case reports conducted to evaluate the effect of Vitamin C on oral health and the recent advances in oral medicine that involve the use of vitamin C. Data/Sources: The review was conducted for clinical studies, case reports and published literature in the English language that addresses this topic. An extensive search in the electronic databases of PubMed, PubMed Central, Web of Science, National Library of Medicine and ResearchGate was performed. Conclusion: Vitamin C is thought to treat periodontal diseases and gingival enlargement. It also affects biofilm formation and therefore, it helps in reducing caries incidence. Recently, vitamin C mesotherapy has been used to treat inflamed gingiva, bleeding gums and gingival hyperpigmentation. More research and randomized controlled trials are needed on this specific topic for more accurate judgment. Clinical significance: A minimally invasive approach - the usage of vitamin C in dental care could drastically reduce the need for surgical intervention.Keywords: oral health, periodontology, vitamin C, Gingivitis
Procedia PDF Downloads 781898 Women in the Soviet Press during the Great Patriotic War (1941-1945)
Authors: Nani Manvelishvili
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Soviet propaganda tried to shape common public opinion through Soviet Press. The activation of propaganda gained special importance to increase the fighting ability of the military and people behind the front During the Great Patriotic war (1941-1945). The state propaganda used unnecessary intervention in Press and created characters who were supposed to be role models for society. The new female role models were identified, which were supported by the authorities. The representation of the mother, warrior woman, working woman, victim, feminine woman, etc., in the works aimed to raise the fighting ability of the Soviet citizen and incite patriotism. This paper analyzes the soviet Press (The newspaper “Komunisti”) that was written and published during the Great Patriotic war in Soviet Georgia. The study aims to find propagandistic content in Press that used Soviet ideology during the Great Patriotic war. We analyzed the Soviet Newspaper "Komunisti," published during wartime. Soviet Press had the most significant impact on the formation of public opinion. The Soviet government actively used this resource to increase combat capability. While at the beginning of the war, women were supposed to replace men, propaganda by the end of the war moved to reassert conservative gender politics. Women returned to their traditional roles.Keywords: Great Patriotic War, Soviet Georgia, women in war, women's history, Soviet press
Procedia PDF Downloads 981897 Protective Effect of Herniarin on Ionizing Radiation-Induced Impairments in Brain
Authors: Sophio Kalmakhelidze, Eka Shekiladze, Tamar Sanikidze, Mikheil Gogebashvili, Nazi Ivanishvili
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Radiation-induced various degrees of brain injury and cognitive impairment have been described after cranial radiotherapy of brain tumors. High doses of ionizing radiation have a severe impact on the central nervous system, resulting in morphological and behavioral impairments. Structures of the limbic system are especially sensitive to radiation exposure. Hence, compounds or drugs that can reduce radiation-induced impairments can be used as promising antioxidants or radioprotectors. In our study Mice whole-body irradiation with 137Cs was performed at a dose rate of 1,1 Gy/min for a total dose of 5 Gy with a “Gamma-capsule-2”. Irradiated mice were treated with Herniarin (20 mg/kg) for five days before irradiation and the same dose was administrated after one hour of irradiation. The immediate and delayed effects of ionizing radiation, as well as, protective effect of Herniarin was evaluated during early and late post-irradiation periods. The results reveal that ionizing radiation (5 Gy) alters the structure of the hippocampus in adult mice during the late post-irradiation period resulting in the decline of memory formation and learning process. Furthermore, Simple Coumarin-Herniarin reveals a radiosensitizing effect reducing morphological and behavioral alterations.Keywords: ionizing radiation, cognitive impairments, hippocampus, limbic system, Herniarin
Procedia PDF Downloads 731896 Using of TFC Polysulfone Electrospun Nanofiber Mats in Oil-Water Separation
Authors: Nasser A. M. Barakat
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Membrane technology is the most promising process for oil-water separation operation if the hydrophilicity, fouling and reusability properties could be improved. In this study, novel effective and reusable membrane for oil-water separation process is introduced based on modification of polysulfone (PSF) electrospun nanofiber mats. The modification process was achieved by incorporation of NaOH nanoparticles inside the PSF nanofibers, and formation of a thin layer from a polyamide polymer on the surface of the electrospun mat. Typically, solutions composed of PSF and NaOH (twelve solutions were prepared based on different PSF concentrations; 15, 18 and 20 wt%, and various NaOH content; 1.5, 1.7 and 2.5 wt%) have been electrospun, then the dried nanofiber mats were treated by m-phenylenediamine and 1,3,5-benzenetricarbonyl chloride to form polyamide thin layer on the surface of the mats. The results indicated that incorporation of NaOH and the formed polyamide could decrease the water contact angle from ~ 130˚ to 13˚ for the nanofiber mats obtained from 20 wt% PSF solutions containing 1.7 wt% sodium hydroxide powders. Interestingly, the membrane having the lowest contact angle could separate oil-water mixture for three successive cycles and 100% removal of the oil with relatively high water flux; 5.5 m3/m2.day. Overall, simplicity of the manufacturing technique, and effectiveness and reusability of the produced nanofiber mats open new avenue for the introduced as promising membranes for the oil-water separation process.Keywords: electrospinning, oil-water separation, hydrophilic membrane, nanofibers
Procedia PDF Downloads 3411895 Ultrasound-Assisted Soil Washing Process for the Removal of Heavy Metals from Clays
Authors: Sophie Herr, Antoine Leybros, Yves Barre, Sergey Nikitenko, Rachel Pflieger
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The proportion of soil contaminated by a wide range of pollutants (heavy metals, PCBs, pesticides, etc.) of anthropogenic origin is constantly increasing, and it is becoming urgent to address this issue. Among remediation methods, soil washing is an effective, relatively fast, and widely used process. This study assesses its coupling with ultrasound: indeed, sonication induces the formation of cavitation bubbles in solution that enhance local mass transfer through agitation and particle erosion. The removal of target toxic elements Ni(II) and Zn(II) from vermiculite clay has been studied under 20 kHz ultrasound and silent conditions. Several acids were tested, and HCl was chosen as the solvent. The effects of solid/liquid ratio and particle size were investigated. Metal repartition in the clay has been followed by Tessier's sequential extraction procedure. The results showed that more metal elements bound to the challenging residual phase were desorbed with 20 kHz ultrasound than in silent conditions. This supports the promising application of ultrasound for heavy metal desorption in difficult conditions. Further experiments were performed at high-frequency US (362 kHz), and it was shown that fragmentation of the vermiculite particles is then limited, while positive effects of US in the decontamination are kept.Keywords: desorption, heavy metals, ultrasound, vermiculite
Procedia PDF Downloads 1471894 Effect of Addition Rate of Expansive Additive on Autogenous Shrinkage and Delayed Expansion of Ultra-High Strength Mortar
Authors: Yulu Zhang, Atushi Teramoto, Taka-Aki Ohkubo
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In this study, the effect of expansive additives on autogenous shrinkage and delayed expansion of ultra-high strength mortar was explored. The specimens made for the study were composed of ultra-high strength mortar, which was mixed with ettringite-lime composite type expansive additive. Two series of experiments were conducted with the specimens. The experimental results confirmed that the autogenous shrinkage of specimens was effectively decreased by increasing the proportion of the expansive additive. On the other hand, for the specimens, which had 7% expansive additive, and were cured for seven days at a constant temperature of 20°C, and then cured for a long time in either in an underwater, moist (Relative humidity: 100%) or dry air (Relative humidity: 60%) environment, excessively large expansion strain occurred. Specifically, typical turtle shell-like swelling expansion cracks were confirmed in the specimens that underwent long-term curing in an underwater and moist environment. According to the result of hydration analysis, the formation of expansive substances, calcium hydroxide and alumina, ferric oxide, tri-sulfate contribute to the occurrence of delayed expansion.Keywords: ultra-high strength mortar, expansive additive, autogenous shrinkage, delayed expansion
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