Search results for: molecular simulations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3786

Search results for: molecular simulations

1476 Nonclassical Antifolates: Synthesis, Biological Evaluation and Molecular Modeling Study of Some New Quinazolin-4-One Analogues as Dihydrofolate Reductase Inhibitors

Authors: Yomna Ibrahim El-Gazzar, Hussien Ibrahim El-Subbagh, Hanan Hanaa Georgey, Ghada S. Hassan Hassan

Abstract:

Dihydrofolate reductase (DHFR) is an enzyme that has pivotal importance in biochemistry and medicinal chemistry. It catalyzes the reduction of dihydrofolate to tetrahydrofolate and intimately couples with thymidylate synthase. Thymidylate synthase is a crucial enzyme that catalyzes the reductive methylation of (dUMP) to (dTMP) utilizing N5, N10-methylenetetrahydrofolate as a cofactor. A new series of 2-substituted thio-quinazolin-4-one analogs was designed that possessed electron withdrawing or donating functional groups (Cl or OCH3) at position 6- or 7-, 4-methoxyphenyl function at position 3-.The thiol function is used to connect to either 1,2,4-triazole, or 1,3,4-thiadiazole via a methylene bridge. Most of the functional groups designed to be accommodated on the quinazoline ring such as thioether, alkyl to increase lipid solubility of polar compounds, a character very much needed in the nonclassical DHFR inhibitors. The target compounds were verified with spectral data and elemental analysis. DHFR inhibitions, as well as antitumor activity, were applied on three cell lines (MCF-7, CACO-2, HEPG-2).

Keywords: nonclassical antifolates, DHFR Inhibitors, antitumor activity, quinazoline ring

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1475 Micromechanics Modeling of 3D Network Smart Orthotropic Structures

Authors: E. M. Hassan, A. L. Kalamkarov

Abstract:

Two micromechanical models for 3D smart composite with embedded periodic or nearly periodic network of generally orthotropic reinforcements and actuators are developed and applied to cubic structures with unidirectional orientation of constituents. Analytical formulas for the effective piezothermoelastic coefficients are derived using the Asymptotic Homogenization Method (AHM). Finite Element Analysis (FEA) is subsequently developed and used to examine the aforementioned periodic 3D network reinforced smart structures. The deformation responses from the FE simulations are used to extract effective coefficients. The results from both techniques are compared. This work considers piezoelectric materials that respond linearly to changes in electric field, electric displacement, mechanical stress and strain and thermal effects. This combination of electric fields and thermo-mechanical response in smart composite structures is characterized by piezoelectric and thermal expansion coefficients. The problem is represented by unit-cell and the models are developed using the AHM and the FEA to determine the effective piezoelectric and thermal expansion coefficients. Each unit cell contains a number of orthotropic inclusions in the form of structural reinforcements and actuators. Using matrix representation of the coupled response of the unit cell, the effective piezoelectric and thermal expansion coefficients are calculated and compared with results of the asymptotic homogenization method. A very good agreement is shown between these two approaches.

Keywords: asymptotic homogenization method, finite element analysis, effective piezothermoelastic coefficients, 3D smart network composite structures

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1474 Isolation and Identification of Diacylglycerol Acyltransferase Type-2 (GAT2) Genes from Three Egyptian Olive Cultivars

Authors: Yahia I. Mohamed, Ahmed I. Marzouk, Mohamed A. Yacout

Abstract:

Aim of this work was to study the genetic basis for oil accumulation in olive fruit via tracking DGAT2 (Diacylglycerol acyltransferase type-2) gene in three Egyptian Origen Olive cultivars namely Toffahi, Hamed and Maraki using molecular marker techniques and bioinformatics tools. Results illustrate that, firstly: specific genomic band of Maraki cultivars was identified as DGAT2 (Diacylglycerol acyltransferase type-2) and identical for this gene in Olea europaea with 100 % of similarity. Secondly, differential genomic band of Maraki cultivars which produced from RAPD fingerprinting technique reflected predicted distinguished sequence which identified as DGAT2 (Diacylglycerol acyltransferase type-2) in Fragaria vesca subsp. Vesca with 76% of sequential similarity. Third and finally, specific genomic specific band of Hamed cultivars was indentified as two fragments, 1-Olea europaea cultivar Koroneiki diacylglycerol acyltransferase type 2 mRNA, complete cds with two matches regions with 99% or 2-PREDICTED: Fragaria vesca subsp. vesca diacylglycerol O-acyltransferase 2-like (LOC101313050), mRNA with 86% of similarity.

Keywords: Olea europaea, fingerprinting, diacylglycerol acyltransferase type-2 (DGAT2), Egypt

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1473 Valorization of Waste Reverse Osmosis Desalination Brine and Crystallization Sequence Approach for Kainite Recovery

Authors: Ayoub Bouazza, Ali Faddouli, Said Amal, Rachid Benhida, Khaoula Khaless

Abstract:

Brine waste generated from reverse osmosis (RO) desalination plants contains various valuable compounds, mainly salts, trace elements, and organic matter. These wastes are up to two times saltier than standard seawater. Therefore, there is a strong economic interest in recovering these salts. The current practice in desalination plants is to reject the brine back to the sea, which affects the marine ecosystem and the environment. Our study aims to bring forth a reliable management solution for the valorisation of waste brines. Natural evaporation, isothermal evaporation at 25°C and 50°C, and evaporation using continuous heating were used to crystallize valuable salts from a reverse osmosis desalination plant brine located on the Moroccan Atlantic coast. The crystallization sequence of the brine was studied in comparison with standard seawater. The X-Ray Diffraction (XRD) of the precipitated solid phases showed similar results, where halite was the main solid phase precipitated from both the brine and seawater. However, Jänecke diagram prediction, along with FREZCHEM simulations, showed that Kainite should crystallize before Epsomite and Carnallite. As the absence of kainite formation in many experiments in the literature has been related to the metastability of kainite and the critical relative humidity conditions, and the precipitation of K–Mg salts is very sensitive to climatic conditions. An evaporation process is proposed as a solution to achieve the predicted crystallization path and to affirm the recovery of Kainite.

Keywords: salts crystallization, reverse osmosis, solar evaporation, frezchem, ZLD

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1472 Nano-Particle of π-Conjugated Polymer for Near-Infrared Bio-Imaging

Authors: Hiroyuki Aoki

Abstract:

Molecular imaging has attracted much attention recently, which visualizes biological molecules, cells, tissue, and so on. Among various in vivo imaging techniques, the fluorescence imaging method has been widely employed as a useful modality for small animals in pre-clinical researches. However, the higher signal intensity is needed for highly sensitive in vivo imaging. The objective of the current study is the development of a fluorescent imaging agent with high brightness for the tumor imaging of a mouse. The strategy to enhance the fluorescence signal of a bio-imaging agent is the increase of the absorption of the excitation light and the fluorescence conversion efficiency. We developed a nano-particle fluorescence imaging agent consisting of a π-conjugated polymer emitting a fluorescence signal in a near infrared region. A large absorption coefficient and high emission intensity at a near infrared optical window for biological tissue enabled highly sensitive in vivo imaging with a tumor-targeting ability by an EPR (enhanced permeation and retention) effect. The signal intensity from the π-conjugated fluorescence imaging agent is larger by two orders of magnitude compared to a quantum dot, which has been known as the brightest imaging agent. The π-conjugated polymer nano-particle would be a promising candidate in the in vivo imaging of small animals.

Keywords: fluorescence, conjugated polymer, in vivo imaging, nano-particle, near-infrared

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1471 Sepiolite as a Processing Aid in Fibre Reinforced Cement Produced in Hatschek Machine

Authors: R. Pérez Castells, J. M. Carbajo

Abstract:

Sepiolite is used as a processing aid in the manufacture of fibre cement from the start of the replacement of asbestos in the 80s. Sepiolite increases the inter-laminar bond between cement layers and improves homogeneity of the slurries. A new type of sepiolite processed product, Wollatrop TF/C, has been checked as a retention agent for fine particles in the production of fibre cement in a Hatschek machine. The effect of Wollatrop T/FC on filtering and fine particle losses was studied as well as the interaction with anionic polyacrylamide and microsilica. The design of the experiments were factorial and the VDT equipment used for measuring retention and drainage was modified Rapid Köethen laboratory sheet former. Wollatrop TF/C increased the fine particle retention improving the economy of the process and reducing the accumulation of solids in recycled process water. At the same time, drainage time increased sharply at high concentration, however drainage time can be improved by adjusting APAM concentration. Wollatrop TF/C and microsilica are having very small interactions among them. Microsilica does not control fine particle losses while Wollatrop TF/C does efficiently. Further research on APAM type (molecular weight and anionic character) is advisable to improve drainage.

Keywords: drainage, fibre-reinforced cement, fine particle losses, flocculation, microsilica, sepiolite

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1470 Two-Phase Flow Study of Airborne Transmission Control in Dental Practices

Authors: Mojtaba Zabihi, Stephen Munro, Jonathan Little, Ri Li, Joshua Brinkerhoff, Sina Kheirkhah

Abstract:

Occupational Safety and Health Administration (OSHA) identified dental workers at the highest risk of contracting COVID-19. This is because aerosol-generating procedures (AGP) during dental practices generate aerosols ( < 5µm) and droplets. These particles travel at varying speeds, in varying directions, and for varying durations. If these particles bear infectious viruses, their spreading causes airborne transmission of the virus in the dental room, exposing dentists, hygienists, dental assistants, and even other dental clinic clients to the infection risk. Computational fluid dynamics (CFD) simulation of two-phase flows based on a discrete phase model (DPM) is carried out to study the spreading of aerosol and droplets in a dental room. The simulation includes momentum, heat, and mass transfers between the particles and the airflow. Two simulations are conducted and compared. One simulation focuses on the effects of room ventilation in winter and summer on the particles' travel. The other simulation focuses on the control of aerosol and droplets' spreading. A suction collector is added near the source of aerosol and droplets, creating a flow sink in order to remove the particles. The effects of the suction flow on the aerosol and droplet travel are studied. The suction flow can remove aerosols and also reduce the spreading of droplets.

Keywords: aerosols, computational fluid dynamics, COVID-19, dental, discrete phase model, droplets, two-phase flow

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1469 Theoretical and Experimental Electrostatic Parameters Determination of 4-Methyl-N-[(5- Nitrothiophen-2-Ylmethylidene)] Aniline Compound

Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

Abstract:

We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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1468 Substantial Fatigue Similarity of a New Small-Scale Test Rig to Actual Wheel-Rail System

Authors: Meysam Naeimi, Zili Li, Roumen Petrov, Rolf Dollevoet, Jilt Sietsma, Jun Wu

Abstract:

The substantial similarity of fatigue mechanism in a new test rig for rolling contact fatigue (RCF) has been investigated. A new reduced-scale test rig is designed to perform controlled RCF tests in wheel-rail materials. The fatigue mechanism of the rig is evaluated in this study using a combined finite element-fatigue prediction approach. The influences of loading conditions on fatigue crack initiation have been studied. Furthermore, the effects of some artificial defects (squat-shape) on fatigue lives are examined. To simulate the vehicle-track interaction by means of the test rig, a three-dimensional finite element (FE) model is built up. The nonlinear material behaviour of the rail steel is modelled in the contact interface. The results of FE simulations are combined with the critical plane concept to determine the material points with the greatest possibility of fatigue failure. Based on the stress-strain responses, by employing of previously postulated criteria for fatigue crack initiation (plastic shakedown and ratchetting), fatigue life analysis is carried out. The results are reported for various loading conditions and different defect sizes. Afterward, the cyclic mechanism of the test rig is evaluated from the operational viewpoint. The results of fatigue life predictions are compared with the expected number of cycles of the test rig by its cyclic nature. Finally, the estimative duration of the experiments until fatigue crack initiation is roughly determined.

Keywords: fatigue, test rig, crack initiation, life, rail, squats

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1467 Analysis of Bio-Oil Produced from Sugar Cane Bagasse Pyrolysis

Authors: D. S. Fardhyanti, M. Megawati, H. Prasetiawan, U. Mediaty

Abstract:

Currently, fossil fuel is supplying most of world’s energy resources. However, fossil fuel resources are depleted rapidly and require an alternative energy to overcome the increasing of energy demands. Bio-oil is one of a promising alternative renewable energy resources which is converted from biomass through pyrolysis or fast pyrolysis process. Bio-oil is a dark liquid fuel, has a smelling smoke and usually obtained from sugar cane, wood, coconut shell and any other biomass. Sugar cane content analysis showed that the content of oligosaccharide, hemicellulose, cellulose and lignin was 16.69%, 25.66%, 51.27% and 6.38% respectively. Sugar cane is a potential sources for bio-oil production shown by its high content of cellulose. In this study, production of bio-oil from sugar cane bagasse was investigated via fast pyrolysis reactor. Fast pyrolysis was carried out at 500 °C with a heating rate of 10 °C and 1 hour holding time at pyrolysis temperature. Physical properties and chemical composition of bio-oil were analyzed. The viscosity, density, calorific value and molecular weight of produced bio-oil was 3.12 cp, 2.78 g/cm3, 11,048.44 cals/g, and 222.67 respectively. The Bio-oil chemical composition was investigated using GC-MS. Percentage value of furfural, phenol, 3-methyl 1,2-cyclopentanedione, 5-methyl-3-methylene 5-hexen-2-one, 4-methyl phenol, 4-ethyl phenol, 1,2-benzenediol, and 2,6-dimethoxy phenol was 20.76%, 16.42%, 10.86%, 7.54%, 7.05%, 7.72%, 5.27% and 6.79% respectively.

Keywords: bio-oil, pyrolysis, bagasse, sugar cane, gas chromatography-mass spectroscopy

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1466 A Boundary-Fitted Nested Grid Model for Modeling Tsunami Propagation of 2004 Indonesian Tsunami along Southern Thailand

Authors: Fazlul Karim, Esa Al-Islam

Abstract:

Many problems in oceanography and environmental sciences require the solution of shallow water equations on physical domains having curvilinear coastlines and abrupt changes of ocean depth near the shore. Finite-difference technique for the shallow water equations representing the boundary as stair step may give inaccurate results near the coastline where results are of greatest interest for various applications. This suggests the use of methods which are capable of incorporating the irregular boundary in coastal belts. At the same time, large velocity gradient is expected near the beach and islands as water depth vary abruptly near the coast. A nested numerical scheme with fine resolution is the best resort to enhance the numerical accuracy with the least grid numbers for the region of interests where the velocity changes rapidly and which is unnecessary for the away of the region. This paper describes the development of a boundary fitted nested grid (BFNG) model to compute tsunami propagation of 2004 Indonesian tsunami in Southern Thailand coastal waters. In this paper, we develop a numerical model employing the shallow water nested model and an orthogonal boundary fitted grid to investigate the tsunami impact on the Southern Thailand due to the Indonesian tsunami of 2004. Comparisons of water surface elevation obtained from numerical simulations and field measurements are made.

Keywords: Indonesian tsunami of 2004, Boundary-fitted nested grid model, Southern Thailand, finite difference method

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1465 Assessment of Soil Erosion Risk Using Soil and Water Assessment Tools Model: Case of Siliana Watershed, Northwest Tunisia

Authors: Sana Dridi, Jalel Aouissi, Rafla Attia, Taoufik Hermassi, Thouraya Sahli

Abstract:

Soil erosion is an increasing issue in Mediterranean countries. In Tunisia, the capacity of dam reservoirs continues to decrease as a consequence of soil erosion. This study aims to predict sediment yield to enrich soil management practices using Soil and Water Assessment Tools model (SWAT) in the Siliana watershed (1041.6 km²), located in the northwest of Tunisia. A database was constructed using remote sensing and Geographical Information System. Climatic and flow data were collected from water resources directorates in Tunisia. The SWAT model was built to simulate hydrological processes and sediment transport. A sensitivity analysis, calibration, and validation were performed using SWAT-CUP software. The model calibration of stream flow simulations shows a good performance with NSE and R² values of 0.77 and 0.79, respectively. The model validation shows a very good performance with values of NSE and R² for 0.8 and 0.88, respectively. After calibration and validation of stream flow simulation, the model was used to simulate the soil erosion and sediment load transport. The spatial distributions of soil loss rate for determining the critical sediment source areas show that 63 % of the study area has a low soil loss rate less than 7 t ha⁻¹y⁻¹. The annual average soil loss rate simulated with the SWAT model in the Siliana watershed is 4.62 t ha⁻¹y⁻¹.

Keywords: water erosion, SWAT model, streamflow, SWATCUP, sediment yield

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1464 Biodegradation Study of Diethyl Phthalate Using Bacteria Isolated from Plastic Industry Wastewater Discharge Site

Authors: Sangram Shamrao Patil, Hara Mohan Jena

Abstract:

Phthalates are among the most common organic pollutant since they have become widespread in the environment and found in sediments, natural waters, soils, plants, landfill leachates, biota including human tissue and aquatic organisms. Diethyl phthalate (DEP) is a low molecular weight phthalate which has wide applications as plasticizer and become a major cause of environmental pollution. Environmental protection agency (EPA) listed DEP as priority pollutant because of its toxicity and they recommended human health ambient water quality criterion for diethyl phthalate (DEP) as 4 mg/l. Therefore, wastes containing phthalates require proper treatment before being discharged into the environment. Biodegradation is attractive and efficient treatment method as it is cost effective and produces non-toxic end products. In the present study, a DEP degrading aerobic bacterium was isolated from soil contaminated with plastic industry wastewater. Morphological and biochemical characteristics of isolate were performed. 16S rRNA sequencing and phylogenetic analysis of isolate was carried out and it was identified as Empedobacter brevis. Isolate has been found to tolerate up to 1650 mg/l of DEP. This study will be significant for exploring an application of microbes for remediation of phthalates and development of a suitable bioreactor.

Keywords: diethyl phthalate, plasticizer, pollutant, biodegradation

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1463 Exogenous Ascorbic Acid Increases Resistance to Salt of Carthamus tinctorius

Authors: Banu Aytül Ekmekçi

Abstract:

Salinity stress has negative effects on agricultural yield throughout the world, affecting production whether it is for subsistence or economic gain. This study investigates the inductive role of vitamin C and its application mode in mitigating the detrimental effects of irrigation with diluted (10, 20 and 30 %) NaCl + water on carthamus tinctorius plants. The results show that 10% of salt water exhibited insignificant changes, while the higher levels impaired growth by reducing seed germination, dry weights of shoot and root, water status and chlorophyll contents. However, irrigation with salt water enhanced carotenoids and antioxidant enzyme activities. The detrimental effects of salt water were ameliorated by application of 100 ppm ascorbic acid (vitamin C). The inductive role of vitamin was associated with the improvement of seed germination, growth, plant water status, carotenoids, endogenous ascorbic acid and antioxidant enzyme activities. Moreover, vitamin C alone or in combination with 30% NaCl water increased the intensity of protein bands as well as synthesized additional new proteins with molecular weights of 205, 87, 84, 65 and 45 kDa. This could increase tolerance mechanisms of treated plants towards water salinity.

Keywords: salinity, stress, vitamin c, antioxidant, NaCl, enzyme

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1462 Precise Identification of Clustered Regularly Interspaced Short Palindromic Repeats-Induced Mutations via Hidden Markov Model-Based Sequence Alignment

Authors: Jingyuan Hu, Zhandong Liu

Abstract:

CRISPR genome editing technology has transformed molecular biology by accurately targeting and altering an organism’s DNA. Despite the state-of-art precision of CRISPR genome editing, the imprecise mutation outcome and off-target effects present considerable risk, potentially leading to unintended genetic changes. Targeted deep sequencing, combined with bioinformatics sequence alignment, can detect such unwanted mutations. Nevertheless, the classical method, Needleman-Wunsch (NW) algorithm may produce false alignment outcomes, resulting in inaccurate mutation identification. The key to precisely identifying CRISPR-induced mutations lies in determining optimal parameters for the sequence alignment algorithm. Hidden Markov models (HMM) are ideally suited for this task, offering flexibility across CRISPR systems by leveraging forward-backward algorithms for parameter estimation. In this study, we introduce CRISPR-HMM, a statistical software to precisely call CRISPR-induced mutations. We demonstrate that the software significantly improves precision in identifying CRISPR-induced mutations compared to NW-based alignment, thereby enhancing the overall understanding of the CRISPR gene-editing process.

Keywords: CRISPR, HMM, sequence alignment, gene editing

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1461 Two-Dimensional CFD Simulation of the Behaviors of Ferromagnetic Nanoparticles in Channel

Authors: Farhad Aalizadeh, Ali Moosavi

Abstract:

This paper presents a two-dimensional Computational Fluid Dynamics (CFDs) simulation for the steady, particle tracking. The purpose of this paper is applied magnetic field effect on Magnetic Nanoparticles velocities distribution. It is shown that the permeability of the particles determines the effect of the magnetic field on the deposition of the particles and the deposition of the particles is inversely proportional to the Reynolds number. Using MHD and its property it is possible to control the flow velocity, remove the fouling on the walls and return the system to its original form. we consider a channel 2D geometry and solve for the resulting spatial distribution of particles. According to obtained results when only magnetic fields are applied perpendicular to the flow, local particles velocity is decreased due to the direct effect of the magnetic field return the system to its original fom. In the method first, in order to avoid mixing with blood, the ferromagnetic particles are covered with a gel-like chemical composition and are injected into the blood vessels. Then, a magnetic field source with a specified distance from the vessel is used and the particles are guided to the affected area. This paper presents a two-dimensional Computational Fluid Dynamics (CFDs) simulation for the steady, laminar flow of an incompressible magnetorheological (MR) fluid between two fixed parallel plates in the presence of a uniform magnetic field. The purpose of this study is to develop a numerical tool that is able to simulate MR fluids flow in valve mode and determineB0, applied magnetic field effect on flow velocities and pressure distributions.

Keywords: MHD, channel clots, magnetic nanoparticles, simulations

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1460 Genetic Variation among the Wild and Hatchery Raised Populations of Labeo rohita Revealed by RAPD Markers

Authors: Fayyaz Rasool, Shakeela Parveen

Abstract:

The studies on genetic diversity of Labeo rohita by using molecular markers were carried out to investigate the genetic structure by RAPAD marker and the levels of polymorphism and similarity amongst the different groups of five populations of wild and farmed types. The samples were collected from different five locations as representatives of wild and hatchery raised populations. RAPAD data for Jaccard’s coefficient by following the un-weighted Pair Group Method with Arithmetic Mean (UPGMA) for Hierarchical Clustering of the similar groups on the basis of similarity amongst the genotypes and the dendrogram generated divided the randomly selected individuals of the five populations into three classes/clusters. The variance decomposition for the optimal classification values remained as 52.11% for within class variation, while 47.89% for the between class differences. The Principal Component Analysis (PCA) for grouping of the different genotypes from the different environmental conditions was done by Spearman Varimax rotation method for bi-plot generation of the co-occurrence of the same genotypes with similar genetic properties and specificity of different primers indicated clearly that the increase in the number of factors or components was correlated with the decrease in eigenvalues. The Kaiser Criterion based upon the eigenvalues greater than one, first two main factors accounted for 58.177% of cumulative variability.

Keywords: variation, clustering, PCA, wild, hatchery, RAPAD, Labeo rohita

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1459 A Unified Constitutive Model for the Thermoplastic/Elastomeric-Like Cyclic Response of Polyethylene with Different Crystal Contents

Authors: A. Baqqal, O. Abduhamid, H. Abdul-Hameed, T. Messager, G. Ayoub

Abstract:

In this contribution, the effect of crystal content on the cyclic response of semi-crystalline polyethylene is studied over a large strain range. Experimental observations on a high-density polyethylene with 72% crystal content and an ultralow density polyethylene with 15% crystal content are reported. The cyclic stretching does appear a thermoplastic-like response for high crystallinity and an elastomeric-like response for low crystallinity, both characterized by a stress-softening, a hysteresis and a residual strain, whose amount depends on the crystallinity and the applied strain. Based on the experimental observations, a unified viscoelastic-viscoplastic constitutive model capturing the polyethylene cyclic response features is proposed. A two-phase representation of the polyethylene microstructure allows taking into consideration the effective contribution of the crystalline and amorphous phases to the intermolecular resistance to deformation which is coupled, to capture the strain hardening, to a resistance to molecular orientation. The polyethylene cyclic response features are captured by introducing evolution laws for the model parameters affected by the microstructure alteration due to the cyclic stretching.

Keywords: cyclic loading unloading, polyethylene, semi-crystalline polymer, viscoelastic-viscoplastic constitutive model

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1458 Low Complexity Carrier Frequency Offset Estimation for Cooperative Orthogonal Frequency Division Multiplexing Communication Systems without Cyclic Prefix

Authors: Tsui-Tsai Lin

Abstract:

Cooperative orthogonal frequency division multiplexing (OFDM) transmission, which possesses the advantages of better connectivity, expanded coverage, and resistance to frequency selective fading, has been a more powerful solution for the physical layer in wireless communications. However, such a hybrid scheme suffers from the carrier frequency offset (CFO) effects inherited from the OFDM-based systems, which lead to a significant degradation in performance. In addition, insertion of a cyclic prefix (CP) at each symbol block head for combating inter-symbol interference will lead to a reduction in spectral efficiency. The design on the CFO estimation for the cooperative OFDM system without CP is a suspended problem. This motivates us to develop a low complexity CFO estimator for the cooperative OFDM decode-and-forward (DF) communication system without CP over the multipath fading channel. Especially, using a block-type pilot, the CFO estimation is first derived in accordance with the least square criterion. A reliable performance can be obtained through an exhaustive two-dimensional (2D) search with a penalty of heavy computational complexity. As a remedy, an alternative solution realized with an iteration approach is proposed for the CFO estimation. In contrast to the 2D-search estimator, the iterative method enjoys the advantage of the substantially reduced implementation complexity without sacrificing the estimate performance. Computer simulations have been presented to demonstrate the efficacy of the proposed CFO estimation.

Keywords: cooperative transmission, orthogonal frequency division multiplexing (OFDM), carrier frequency offset, iteration

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1457 Supersonic Combustion (Scramjet) Containing Flame-Holder with Slot Injection

Authors: Anupriya, Bikramjit Sinfh, Radhay Shyam

Abstract:

In order to improve mixing phenomena and combustion processes in supersonic flow, the current work has concentrated on identifying the ideal cavity parameters using CFD ANSYS Fluent. Offset ratios (OR) and aft ramp angles () have been manipulated in simulations of several models, but the length-to-depth ratio has remained the same. The length-to-depth ratio of all cavity flows is less than 10, making them all open. Hydrogen fuel was injected into a supersonic air flow with a Mach number of 3.75 using a chamber with a 1 mm diameter and a transverse slot nozzle. The free stream had conditions of a pressure of 1.2 MPa, a temperature of 299K, and a Reynolds number of 2.07x107. This method has the ability to retain a flame since the cavity facilitates rapid mixing of fuel and oxidizer and decreases total pressure losses. The impact of the cavity on combustion efficiency and total pressure loss is discussed, and the results are compared to those of a model without a cavity. Both the mixing qualities and the combustion processes were enhanced in the model with the cavity. The overall pressure loss as well as the effectiveness of the combustion process both increase with the increase in the ramp angle to the rear. When OR is increased, however, resistance to the supersonic flow field is reduced, which has a detrimental effect on both parameters. For a given ramp height, larger pressure losses were observed at steeper ramp angles due to increased eddy-viscous turbulent flow and increased wall drag.

Keywords: total pressure loss, flame holder, supersonic combustion, combustion efficiency, cavity, nozzle

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1456 Impact of Activated Sludge Bulking and Foaming on the Quality of Kuwait's Irrigation Water

Authors: Abdallah Abusam, Andrzej Mydlarczyk, Fadila Al-Salameen, Moh Elmuntasir Ahmed

Abstract:

Treated municipal wastewater produced in Kuwait is used mainly in agricultural and greenery landscape irrigations. However, there are strong doubts that severe sludge bulking and foaming problems, particularly during winter seasons, may render the treated wastewater to be unsuitable for irrigation purposes. To assess the impact of sludge bulking and foaming problems on the quality of treated effluents, samples were collected weekly for nine months (January to September 2014) from the secondary effluents, tertiary effluents and sludge-mixed liquor streams of the two plants that severely suffer from sludge bulking and foaming problems. Dominant filamentous bacteria were identified and quantified using a molecular method called VIT (Vermicon Identification Technology). Quality of the treated effluents was determined according to water and wastewater standard methods. Obtained results were then statistically analyzed and compared to irrigation water standards. Statistical results indicated that secondary effluents were greatly impacted by sludge bulking and foaming problems, while tertiary effluents were slightly affected. This finding highlights the importance of having tertiary treatment units in plants that encountering sludge bulking and foaming problems.

Keywords: agriculture, filamentous bacteria, reclamation, reuse, wastewater

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1455 Molecular Survey and Genetic Diversity of Bartonella henselae Strains Infecting Stray Cats from Algeria

Authors: Naouelle Azzag, Nadia Haddad, Benoit Durand, Elisabeth Petit, Ali Ammouche, Bruno Chomel, Henri J. Boulouis

Abstract:

Bartonella henselae is a small, gram negative, arthropod-borne bacterium that has been shown to cause multiple clinical manifestations in humans including cat scratch disease, bacillary angiomatosis, endocarditis, and bacteremia. In this research, we report the results of a cross sectional study of Bartonella henselae bacteremia in stray cats from Algiers. Whole blood of 227 stray cats from Algiers was tested for the presence of Bartonella species by culture and for the evaluation of the genetic diversity of B. henselae strains by multi-locus variable number of tandem repeats assay (MLVA). Bacteremia prevalence was 17% and only B. henselae was identified. Type I was the predominant type (64%). MLVA typing of 259 strains from 30 bacteremic cats revealed 52 different profiles. 51 of these profiles were specific to Algerian cats/identified for the first time. 20/30 cats (67%) harbored 2 to 7 MLVA profiles simultaneously. The similarity of MLVA profiles obtained from the same cat, neighbor-joining clustering and structure-neighbor clustering showed that such a diversity likely results from two different mechanisms occurring either independently or simultaneously independent infections and genetic drift from a primary strain.

Keywords: Bartonella, cat, MLVA, genetic

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1454 Polyimide Supported Membrane Made of 2D-Coordination-Crosslinked Polyimide for Rapid Molecular Separation in Multi-Solvent Environments

Authors: Netsanet Kebede Hundessa

Abstract:

Substrate modification of thin film composite (TFC) membranes with various crosslinkers is typically necessary for organic solvent nanofiltration (OSN) applications. This modification is aimed at enhancing membrane stability and solvent resistance, but it often results in a decline in permeance. This study introduces a distinct approach by developing a coordination-crosslinked polyimide substrate, which differs from the covalently-crosslinked substrates traditionally used. This developed substrate achieves enhanced solvent resistance, improved hydrophilicity, and optimized porous microstructure simultaneously. The study investigates the effects of an alkaline coagulation bath, subsequent ion exchange, and further solvent activation. The resulting TFC membrane successfully overcomes the typical permeability-selectivity trade-off of OSN membranes. It demonstrates significantly improved solvent permeance (1.5–2 times higher than previously reported data) with values of 65.2 LMH/bar for methanol, 33.1 LMH/bar for ethanol, and 59.1 LMH/bar for acetone while maintaining competitive solute rejection (>98% for Rose Bengal). This research is expected to provide a new direction for developing high-performance OSN composite membranes and other separation applications.

Keywords: metal coordinatiom, thin film composite membrane, organic solvent nanofiltration, solvent activation

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1453 Evaluation of Residual Stresses in Human Face as a Function of Growth

Authors: M. A. Askari, M. A. Nazari, P. Perrier, Y. Payan

Abstract:

Growth and remodeling of biological structures have gained lots of attention over the past decades. Determining the response of living tissues to mechanical loads is necessary for a wide range of developing fields such as prosthetics design or computerassisted surgical interventions. It is a well-known fact that biological structures are never stress-free, even when externally unloaded. The exact origin of these residual stresses is not clear, but theoretically, growth is one of the main sources. Extracting body organ’s shapes from medical imaging does not produce any information regarding the existing residual stresses in that organ. The simplest cause of such stresses is gravity since an organ grows under its influence from birth. Ignoring such residual stresses might cause erroneous results in numerical simulations. Accounting for residual stresses due to tissue growth can improve the accuracy of mechanical analysis results. This paper presents an original computational framework based on gradual growth to determine the residual stresses due to growth. To illustrate the method, we apply it to a finite element model of a healthy human face reconstructed from medical images. The distribution of residual stress in facial tissues is computed, which can overcome the effect of gravity and maintain tissues firmness. Our assumption is that tissue wrinkles caused by aging could be a consequence of decreasing residual stress and thus not counteracting gravity. Taking into account these stresses seems therefore extremely important in maxillofacial surgery. It would indeed help surgeons to estimate tissues changes after surgery.

Keywords: finite element method, growth, residual stress, soft tissue

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1452 Effect of Microfiltration on the Composition and Ripening of Iranian Fetta Cheese

Authors: M. Dezyani, R. Ezzati belvirdi, M. Shakerian, H. Mirzaei

Abstract:

The effect of Microfiltration (MF) on proteolysis, hardness, and flavor of Feta cheese during 6 mo of aging was determined. Raw skim milk was microfiltered two-fold in two cheese making trials. In trial 1, four vats of cheese were made in 1 d using unconcentrated milk (1X), 1.26X, 1.51X, and 1.82X Concentration Factors (CF). Casein-(CN)-to-fat ratio was constant among treatments. Proteolysis during cheese aging decreased with increasing CF due to either limitation of substrate availability for chymosin due to low moisture in the nonfat substance (MNFS), inhibition of chymosin activity by high molecular weight milk serum proteins, such as α2-macroglobulin, retained in the cheese or low residual chymosin in the cheese. Hardness of fresh cheese increased, and cheese flavor intensity decreased with increasing CF. In trial 2, the 1X and 1.8X CF were compared directly. Changes made in the cheese making procedure for the 1.8X CF (more chymosin and less cooking) increased the MNFS and made proteolysis during aging more comparable for the 1X and 1.8X cheeses. The significant difference in cheese hardness due to CF in trial 1 was eliminated in trial 2. In a triangle test, panelists could not differentiate between the 1X and 1.8X cheeses. Therefore, increasing chymosin and making the composition of the two cheeses more similar allowed production of aged Fetta cheese from milk concentrated up to 1.8X by MF that was not perceived as different from aged feta cheese produced without MF.

Keywords: feta cheese, microfiltration, concentration factor, proteolysis

Procedia PDF Downloads 398
1451 Optimization of the Mechanical Performance of Fused Filament Fabrication Parts

Authors: Iván Rivet, Narges Dialami, Miguel Cervera, Michele Chiumenti

Abstract:

Process parameters in Additive Manufacturing (AM) play a critical role in the mechanical performance of the final component. In order to find the input configuration that guarantees the optimal performance of the printed part, the process-performance relationship must be found. Fused Filament Fabrication (FFF) is the selected demonstrative AM technology due to its great popularity in the industrial manufacturing world. A material model that considers the different printing patterns present in a FFF part is used. A voxelized mesh is built from the manufacturing toolpaths described in the G-Code file. An Adaptive Mesh Refinement (AMR) based on the octree strategy is used in order to reduce the complexity of the mesh while maintaining its accuracy. High-fidelity and cost-efficient Finite Element (FE) simulations are performed and the influence of key process parameters in the mechanical performance of the component is analyzed. A robust optimization process based on appropriate failure criteria is developed to find the printing direction that leads to the optimal mechanical performance of the component. The Tsai-Wu failure criterion is implemented due to the orthotropy and heterogeneity constitutive nature of FFF components and because of the differences between the strengths in tension and compression. The optimization loop implements a modified version of an Anomaly Detection (AD) algorithm and uses the computed metrics to obtain the optimal printing direction. The developed methodology is verified with a case study on an industrial demonstrator.

Keywords: additive manufacturing, optimization, printing direction, mechanical performance, voxelization

Procedia PDF Downloads 44
1450 Estimation of Relative Permeabilities and Capillary Pressures in Shale Using Simulation Method

Authors: F. C. Amadi, G. C. Enyi, G. Nasr

Abstract:

Relative permeabilities are practical factors that are used to correct the single phase Darcy’s law for application to multiphase flow. For effective characterisation of large-scale multiphase flow in hydrocarbon recovery, relative permeability and capillary pressures are used. These parameters are acquired via special core flooding experiments. Special core analysis (SCAL) module of reservoir simulation is applied by engineers for the evaluation of these parameters. But, core flooding experiments in shale core sample are expensive and time consuming before various flow assumptions are achieved for instance Darcy’s law. This makes it imperative for the application of coreflooding simulations in which various analysis of relative permeabilities and capillary pressures of multiphase flow can be carried out efficiently and effectively at a relative pace. This paper presents a Sendra software simulation of core flooding to achieve to relative permeabilities and capillary pressures using different correlations. The approach used in this study was three steps. The first step, the basic petrophysical parameters of Marcellus shale sample such as porosity was determined using laboratory techniques. Secondly, core flooding was simulated for particular scenario of injection using different correlations. And thirdly the best fit correlations for the estimation of relative permeability and capillary pressure was obtained. This research approach saves cost and time and very reliable in the computation of relative permeability and capillary pressures at steady or unsteady state, drainage or imbibition processes in oil and gas industry when compared to other methods.

Keywords: relative permeabilty, porosity, 1-D black oil simulator, capillary pressures

Procedia PDF Downloads 431
1449 Development and Control of Deep Seated Gravitational Slope Deformation: The Case of Colzate-Vertova Landslide, Bergamo, Northern Italy

Authors: Paola Comella, Vincenzo Francani, Paola Gattinoni

Abstract:

This paper presents the Colzate-Vertova landslide, a Deep Seated Gravitational Slope Deformation (DSGSD) located in the Seriana Valley, Northern Italy. The paper aims at describing the development as well as evaluating the factors that influence the evolution of the landslide. After defining the conceptual model of the landslide, numerical simulations were developed using a finite element numerical model, first with a two-dimensional domain, and later with a three-dimensional one. The results of the 2-D model showed a displacement field typical of a sackung, as a consequence of the erosion along the Seriana Valley. The analysis also showed that the groundwater flow could locally affect the slope stability, bringing about a reduction in the safety factor, but without reaching failure conditions. The sensitivity analysis carried out on the strength parameters pointed out that slope failures could be reached only for relevant reduction of the geotechnical characteristics. Such a result does not fit the real conditions observed on site, where a number of small failures often develop all along the hillslope. The 3-D model gave a more comprehensive analysis of the evolution of the DSGSD, also considering the border effects. The results showed that the convex profile of the slope favors the development of displacements along the lateral valley, with a relevant reduction in the safety factor, justifying the existing landslides.

Keywords: deep seated gravitational slope deformation, Italy, landslide, numerical modeling

Procedia PDF Downloads 354
1448 The Influence of Polymorphisms of NER System Genes on the Risk of Colorectal Cancer in the Polish Population

Authors: Ireneusz Majsterek, Karolina Przybylowska, Lukasz Dziki, Adam Dziki, Jacek Kabzinski

Abstract:

Colorectal cancer (CRC) is one of the deadliest cancers. Every year we see an increase in the number of cases, and in spite of intensive research etiology of the disease remains unknown. For many years, researchers are seeking to associate genetic factors with an increased risk of CRC, so far it has proved to be a compelling link between the MMR system of DNA repair and hereditary nonpolyposis colorectal cancers (HNPCC). Currently, research is focused on finding the relationship between the remaining DNA repair systems and an increased risk of developing colorectal cancer. The aim of the study was to determine the relationship between gene polymorphisms Ser835Ser of XPF gene and Gly23Ala of XPA gene–elements of NER DNA repair system, and modulation of the risk of colorectal cancer in the Polish population. Determination of the molecular basis of carcinogenesis process and predicting increased risk will allow qualifying patients to increased risk group and including them in preventive program. We used blood collected from 110 patients diagnosed with colorectal cancer. The control group consisted of equal number of healthy people. Genotyping was performed by TaqMan method. The obtained results indicate that the genotype 23Gly/Ala of XPA gene is associated with an increased risk of colorectal cancer, while 23Ala/Ala as well as TCT allele of Ser835Ser of XPF gene may reduce the risk of CRC.

Keywords: NER, colorectal cancer, XPA, XPF, polymorphisms

Procedia PDF Downloads 551
1447 Evaluation Of In Vitro Antioxidant Potential of Camellia Sinensis Leaves Extract

Authors: Jirathan Pongchababnapa

Abstract:

Polyphenols are the most common antioxidant found in plants and are efficient in capturing oxidative free radicals. Antioxidants are substances found in medicinal plants which may have a protective role to play in certain conditions such as heart disease, stroke and some cancers. By relying on these benefits, we have traced out the presence of antioxidant in Camellia sinensis leaves extract. This study aims to evaluate flavonoids content in C. sinensisextract and investigate antioxidant activities by using DPPH and ABTS radical scavenging capacity assay. The total flavonoid content of C. Sinensis extract was determined and expressed as quercetin equivalents (QE)/g measured by the aluminum chloride colorimetric method. The results showed that the IC₅₀ of C. Sinensis leaves extract were 40.90 μg/mL ± 0.755 and32.96 μg/mL ± 0.679 for DPPH and ABTS, respectively. C. Sinensis extract at increasing concentration showed antioxidant activities as a concentration dependent manner. In the DPPH assay, vitamin C was used as a positive control, whereas Trolox was used as a positive control in the ABTS assay. In conclusion, C. Sinensis extract consisted of a high amount of flavonoids content which possesses potent antioxidant activity. However, further investigation on the identification of pure compound of this plant and molecular antioxidant assays are still required.

Keywords: ABTS assay, antioxidant, camellia sinensis, DPPH assay, total flavonoid content

Procedia PDF Downloads 190