Search results for: molecular docking simulations

Authors: Farhad Aalizadeh, Ali Moosavi

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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

Procedia PDF Downloads 365

Authors: Shakir H. Mohammed Al-Alwany, Saad Hasan M. Ali, Ibrahim Mohammed S. Shnawa

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The study was aimed to define the percentage of detection of high-oncogenic risk types of HPV and their genotyping in archival tissue specimens that ranged from apparently healthy tissue to invasive breast cancer by using one of the recent versions of In Situ Hybridization(ISH) 0.2. To find out rational significance of such genotypes as well as over expressed products of mutants P53 and RB genes on the severity of underlying breast cancers. The DNA of HPV was detected in 46.5 % of tissues from breast cancers while HPV DNA in the tissues from benign breast tumours was detected in 12.5%. No HPV positive–ISH reaction was detected in healthy breast tissues of the control group. HPV DNA of genotypes (16, 18, 31 and 33) was detected in malignant group in frequency of 25.6%, 27.1%, 30.2% and 12.4%, respectively. Over expression of p53 was detected by IHC in 51.2% breast cancer cases and in 50% benign breast tumour group, while none of control group showed P53- over expression. Retinoblastoma protein was detected by IHC test in 49.7% of malignant breast tumours, 54.2% of benign breast tumours but no signal was reported in the tissues of control group. The significance prevalence of expression of mutated p53 & Rb genes as well as detection of high-oncogenic HPV genotypes in patients with breast cancer supports the hypothesis of an etiologic role for the virus in breast cancer development.

Keywords: human papilloma virus, P53, RB, breast cancer

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Authors: Shirin Jalili, Hadi Shirzad, Samaneh Nabavi, Somayeh Khanjani

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Forensic entomology is the science of study and analysis of insects evidences to aid in criminal investigation. Being aware of the distribution, biology, ecology and behavior of insects, which are founded at crime scene can provide information about when, where and how the crime has been committed. It has many application in criminal investigations. Its main use is estimation of the minimum time after death in suspicious death. The close association between insects and corpses and the use of insects in criminal investigations is the subject of forensic entomology. Because insects attack to the decomposing corpse and spawning on it from the initial stages. Forensic scientists can estimate the postmortem index by studying the insects population and the developing larval stages.In addition, toxicological and molecular studies of these insects can reveal the cause of death or even the identity of a victim. It also be used to detect drugs and poisons, and determination of incident location. Gathering robust entomological evidences is made possible for experts by recent Techniques. They can provide vital information about death, corpse movement or burial, submersion interval, time of decapitation, identification of specific sites of trauma, post-mortem artefacts on the body, use of drugs, linking a suspect to the scene of a crime, sexual molestations and the identification of suspects.

Keywords: Forensic entomology, post mortem interval, insects, larvae

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Authors: Da LI, Peng Xu

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Recent extreme weather events, such as the 2021 European floods and North American heatwaves, have exposed the vulnerability of energy systems to both extreme demand scenarios and potential physical damage. Current integrated energy system designs often overlook performance under these challenging conditions. This research, focusing on a regional integrated energy system in Ningbo, China, proposes a distinct design method to optimize system reliability during extreme events. A multi-scenario model was developed, encompassing various extreme load conditions and potential system damages caused by severe weather. Based on this model, a comprehensive reliability improvement scheme was designed, incorporating a gradient approach to address different levels of disaster severity through the integration of advanced technologies like distributed energy storage. The scheme's effectiveness was validated through Monte Carlo simulations. Results demonstrate significant enhancements in energy supply reliability and peak load reduction capability under extreme scenarios. The findings provide several insights for improving energy system adaptability in the face of climate-induced challenges, offering valuable references for building reliable energy infrastructure capable of withstanding both extreme demands and physical threats across a spectrum of disaster intensities.

Keywords: extreme weather events, integrated energy systems, reliability improvement, climate change adaptation

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Authors: Tsui-Tsai Lin

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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

Procedia PDF Downloads 263

Authors: Anupriya, Bikramjit Sinfh, Radhay Shyam

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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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Authors: Giorgio Visentin, Inna S. Kalinina, Alexei A. Buchachenko

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In the ambit of intermolecular interactions, a combination rule is defined as a relation linking a potential parameter for the interaction of two unlike species with the same parameters for interaction pairs of like species. Some of their most exemplificative applications cover the construction of molecular dynamics force fields and dispersion-corrected density functionals. Here, an extended combination rule is proposed, relating the dipole-dipole dispersion coefficients for the interaction of like target species to the same coefficients for the interaction of the target and a set of partner species. The rule can be devised in two different ways, either by uniform discretization of the Casimir-Polder integral on a Gauss-Legendre quadrature or by relating the dynamic polarizabilities of the target and the partner species. Both methods return the same system of linear equations, which requires the knowledge of the dispersion coefficients for interaction between the partner species to be solved. The test examples show a high accuracy for dispersion coefficients (better than 1% in the pristine test for the interaction of Yb atom with rare gases and alkaline-earth metal atoms). In contrast, the rule does not ensure correct monotonic behavior of the dynamic polarizability of the target species. Acknowledgment: The work is supported by Russian Science Foundation grant # 17-13-01466.

Keywords: combination rule, dipole-dipole dispersion coefficient, Casimir-Polder integral, Gauss-Legendre quadrature

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Authors: Mostafa Aminzadeh, Min Deng

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Modeling loss data is an important part of actuarial science. Actuaries use models to predict future losses and manage financial risk, which can be beneficial for marketing purposes. In the insurance industry, small claims happen frequently while large claims are rare. Traditional distributions such as Normal, Exponential, and inverse-Gaussian are not suitable for describing insurance data, which often show skewness and fat tails. Several authors have studied classical and Bayesian inference for parameters of composite distributions, such as Exponential-Pareto, Weibull-Pareto, and Inverse Gamma-Pareto. These models separate small to moderate losses from large losses using a threshold parameter. This research introduces a computational approach using a nonlinear regression model for loss data that relies on multiple predictors. Simulation studies were conducted to assess the accuracy of the proposed estimation method. The simulations confirmed that the proposed method provides precise estimates for regression parameters. It's important to note that this approach can be applied to datasets if goodness-of-fit tests confirm that the composite distribution under study fits the data well. To demonstrate the computations, a real data set from the insurance industry is analyzed. A Mathematica code uses the Fisher information algorithm as an iteration method to obtain the maximum likelihood estimation (MLE) of regression parameters.

Keywords: maximum likelihood estimation, fisher scoring method, non-linear regression models, composite distributions

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Authors: Sara Sousa, Veronique Gomes, Nélio Veiga, Maria José Correia

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Objectives: To assess the presence or absence of Streptococcus mutans, Streptococcus gordonii and Streptococcus salivarius in the oral biofilm of children in an elementary school of Viseu, Portugal, and verify the relationship between Streptococcus gordonii and Streptococcus salivarius and the absence of dental caries. Methods: A cross-sectional study was designed with a final sample of 40 children aged 6-11 years old. Oral examination was accomplished with the identification of their oral health status and oral biofilm collection. Analysis of biological samples by molecular techniques of DNA isolation and identification of three Streptococci bacteria by Polimerase Chain Reaction (PCR) was made. Results: We identified Streptococcus salivarius and Streptococcus gordoni only in the lower interincisal region. These species were also present mainly in the first permanent non-decayed molars. On the contrary, Streptococcus mutans was found mostly in decayed first permanent molars. Conclusion: This preliminary study establishes a possible association between the absence of dental caries and the presence of Streptococcus gordonii and Streptococcus salivarius. Since these two species are described as alkali producers, it is suggested that their presence somehow confers protection against caries. These results support new dental caries prevention strategies based on oral biofilm modulation by enrichment with alkalinogenic species.

Keywords: dental caries, oral biofilm, Streptococcus gordonii, Streptococcus salivarius

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Authors: Chengcao Sun, Shujun Li, Cuili Yang, Yongyong Xi, Liang Wang, Feng Zhang, Dejia Li

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Recently, the long non-coding RNA (lncRNA) NEAT1 has been identified as an oncogenic gene in multiple cancer types and elevated expression of NEAT1 was tightly linked to tumorigenesis and cancer progression. However, the molecular basis for this observation has not been characterized in progression of non-small cell lung cancer (NSCLC). In our studies, we identified NEAT1 was highly expressed in NSCLC patients and was a novel regulator of NSCLC progression. Patients whose tumors had high NEAT1 expression had a shorter overall survival than patients whose tumors had low NEAT1 expression. Further, NEAT1 significantly accelerates NSCLC cell growth and metastasis in vitro and tumor growth in vivo. Additionally, by using bioinformatics study and RNA pull down combined with luciferase reporter assays, we demonstrated that NEAT1 functioned as a competing endogenous RNA (ceRNA) for has-miR-377-3p, antagonized its functions and led to the de-repression of its endogenous targets E2F3, which was a core oncogene in promoting NSCLC progression. Taken together, these observations imply that the NEAT1 modulated the expression of E2F3 gene by acting as a competing endogenous RNA, which may build up the missing link between the regulatory miRNA network and NSCLC progression.

Keywords: long non-coding RNA NEAT1, hsa-miRNA-377-3p, E2F3, non-small cell lung cancer, tumorigenesis

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Authors: Daruliza Kernain, Shaharum Shamsuddin, See Too Wei Cun

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CTCF is a unique, highly conserved and ubiquitously expressed 11 zinc finger (ZF) transcriptional factor with multiple target sites. It is able to bind to various target sequences to perform different regulatory roles including promoter activation or repression, creating hormone-responsive gene silencing element, and functional block of enhancer-promoter interactions. The binding of CTCF to the essential binding site is through the combination of different ZF domain. On the other hand, BORIS for brother of the regulator of imprinted sites, which expressed only in the testis and certain cancer cell line is homology to CTCF 11 ZF domains. Since both transcriptional factors share the same ZF domains hence there is a possibility for both to bind to the same target sequences. In this study, the interaction of these two proteins to multi-functional Y-box DNA/RNA-binding factor, YB-1 was determined. The protein-protein interaction between CTCF/YB-1 and BORIS/YB-1 were discovered by Co-immuno-precipitation (CO-IP) technique through reciprocal experiment from RGBM total cell lysate. The results showed that both CTCF and BORIS were able to interact with YB-1 in Glioma RGBM cell line. To the best of our knowledge, this is the first findings demonstrating the ability of BORIS and YB-1 to form a complex in vivo.

Keywords: immunoprecipitation, CTCF/BORIS/YB-1, transcription factor, molecular medicine

Procedia PDF Downloads 258

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

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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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Authors: Eda Gök

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Peridynamics is a new modeling concept of non-local interactions for solid structures. The formulations of Peridynamic (PD) theory are based on integral equations rather than differential equations. Through, undefined equations of associated problems are avoided. PD theory might be defined as continuum version of molecular dynamics. The medium is usually modeled with mass particles bonded together. Particles interact with each other directly across finite distances through central forces named as bonds. The main assumption of this theory is that the body is composed of material points which interact with other material points within a finite distance. Although, PD theory developed for discontinuities, it gives good results for structures which have no discontinuities. In this paper, displacement control of the isotropic plate under the effect of tensile and bending loading has been investigated by means of PD theory. A MATLAB code is generated to create PD bonds and corresponding surface correction factors. Using generated MATLAB code the geometry of the specimen is generated, and the code is implemented in Finite Element Software. The results obtained from non-local continuum theory are compared with the Finite Element Analysis results and analytical solution. The results show good agreement.

Keywords: non-local continuum mechanics, peridynamic theory, solid structures, tensile loading, flexural loading

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

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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 59

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

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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

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Authors: Fatma H. Galal, Alaaeddeen M. Seufi

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Due to the increasing usage of mobile phone, experiments were designed to investigate ‎the effect of acute dose exposure on the mosquito life cycle. 50 tubes (5 ml size) ‎containing 3 ml water and a first instar larva of the mosquito, Culex univittatus were put ‎between two mobile cell phones switched on talking mode for 4 continuous hours. A ‎control group of tubes (unexposed to radiation) were used. Larval and pupal durations ‎were calculated. Furthermore, adult emergence and sex ratio were observed for both ‎treated and control larvae. Results indicated that the employed dose of radiation reduced ‎total larval duration to about half the value of control. 1st, 2nd, 3rd and 4th larval ‎durations were reduced significantly by mobile radiation when compared to controls. ‎Meanwhile pupal duration was elongated significantly by mobile radiation when ‎compared to control. Sex ratio was significantly shifted in favor of females in the case of ‎radiated mosquitoes. Successful adult emergence was decreased significantly in the case ‎of radiated insects when compared to controls. Molecular studies to investigate the ‎effects of mobile radiation on insects and other model organisms are going on.‎

Keywords: mosquito, mobilr radiation, larval and pupal durations, sex ratio

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Authors: Paola Comella, Vincenzo Francani, Paola Gattinoni

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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

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Authors: K. F. Md Yunos, N. S. Pajar, N. S. Azmi

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Oily wastewater in Malaysian refinery has become a big issue of water and environment pollution to be solved urgently. The results of an experimental study on separation of oily wastewaters are presented. The characteristic of filtration behavior of commercial polymer ultrafiltration (UF) membranes was evaluated in the treatment of oily wastewater from palm oil refinery. The performance of different molecular weight cut off 5kDa and 10kDa regenerated cellulose membrane were evaluated and compared and the fouling behavior were analyzed by scanning electron microscopy (SEM). The effect of pressure (0.5, 1.0, 1.5, 2.0, 2.5 bar) and sample concentration (100%, 75%, 50%, 25%) on fouling of 5kDa and 10kDa membrane were evaluated. The characteristic of the sample solutions were analyzed for turbidity, total dissolved solid (TDS), total suspended solid (TSS), BOD, and COD. The results showed that the best fit to experimental data corresponds to the cake layer formation followed by the intermediate blocking for the experimental conditions tested. A more detailed analysis of the fouling mechanisms was studied by dividing the filtration curves into different regions corresponding to the different fouling mechanisms. Intermediate blocking and cake layer formation or combinations of them were found to occur during the UF experiments depending on the operating conditions.

Keywords: fouling, oily wastewater, regenerated cellulose, ultrafiltration

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Authors: Jma Hannan, Prawej Ansari, Yasser H. A. Abdel-Wahab, Peter R. Flatt

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Spirulina platensis (SP, Blue-green algae) have been accepted as a supplement for the treatment of pre and post-diabetes. The present study investigated the effects of butanol fraction from ethanol extract of S. platensis on insulin release from BRIN BD11 cells, isolated mouse islets, and perfused rat pancreas, as well as glucose homeostasis in type 2 diabetic rats and their molecular pathways. In a dose-dependent manner, S. platensis increased insulin release from mouse islets and pancreatic β-cells. The extract also elevated insulin release in perfused rat pancreas. Glucose, isobutylmethylxanthine, tolbutamide, and a depolarizing concentration of KCl significantly potentiated insulin release from BRIN BD11 cells. The effect of diazoxide and verapamil, as well as the absence of extracellular Ca2+ showed a reduction in insulin secretion. When administered orally together with glucose (2.5g/kg bw), S. platensis extract improved fasting and postprandial blood glucose in type 2 diabetes. These data suggest that the anti-diabetic activity of S. platensis is partly mediated by insulin secretion via the KATP channel-dependent pathway/the intracellular cAMP pathway.

Keywords: Insulin, glucose, S. platensis, type 2 diabetes, medicinal plants

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Authors: Ghazi Faisal Najmuldeen, Ali Abdul Rahman–Al Ezzi, Tharmathas A/L Alagappan

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The aim of this investigation was to produce biofuel from castor oil through microwave assisted thermal cracking with zeolite ZSM-5 as catalyst. The obtained results showed that microwave assisted thermal cracking of castor oil with Zeolite ZSM-5 as catalyst generates products consisting of alcohol, methyl esters and fatty acids. The products obtained from this experimental procedure by the cracking of castor oil are components of biodiesel. Samples of cracked castor oil containing 1, 3 and 5wt % catalyst was analyzed, however, only the sample containing the 5wt % catalyst showed significant presence of condensate. FTIR and GCMS studies show that the condensate obtained is an unsaturated fatty acid, is 9, 12-octadecadienoic acid, suitable for biofuel use. 9, 12-octadecadienoic acid is an unsaturated fatty acid with a molecular weight of 280.445 g/mol. Characterization of the sample demonstrates that functional group for the products from the three samples display a similar peak in the FTIR graph analysis at 1700 cm-1 and 3600 cm-1. The result obtained from GCMS shows that there are 16 peaks obtained from the sample. The compound with the highest peak area is 9, 12-octadecadienoic acid with a retention time of 9.941 and 24.65 peak areas. All these compounds are organic material and can be characterized as biofuel and biodiesel.

Keywords: castor oil, biofuel, biodiesel, thermal cracking, microwave

Procedia PDF Downloads 229

Authors: K.L. Chiu, Johnny K. W. Ho, M. H. Chan, S. H. Cheung, K. H. Chan, S.K. So

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Thermal diffusivity is an important quantity in heat conduction. It measures the rate of heat transfer from the hot side to the cold side of a material. In solid-state materials, thermal diffusivity reveals information related to morphologies and solid quality, as thermal diffusivity can be affected by microstructures. However, thermal diffusivity studies on organic semiconductors are very limited. In this study, scanning photothermal deflection (SPD) technique is used to study the thermal diffusivities of different classes of semiconducting polymers. The reliability of the technique was confirmed by crossing-checking our SPD derived experimental values of different reference materials with their known diffusivities from the literature. To show that thermal diffusivity determination is a potential tool for revealing microscopic properties of organic photovoltaic semiconductors, SPD measurements were applied to various organic semiconducting films with different crystallinities. It is observed that organic photovoltaic semiconductors possess low thermal diffusivity, with values in the range of 0.3mm²/s to 1mm²/s. It is also discovered that polymeric photovoltaic semiconductors with greater molecular planarity, stronger stacking and higher crystallinity would possess greater thermal diffusivities. Correlations between thermal, charge transport properties will be discussed.

Keywords: polymer crystallinity, photovoltaic organic semiconductors, photothermal deflection technique, thermal diffusion

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Authors: Rose-Michelle Smith, Musandji Fuamba, Salomon Salumu

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Water is vital for life. Access to drinking water and sanitation for humans is one of the Sustainable Development Goals (specifically the sixth) approved by United Nations Member States in September 2015. There are various problems identified relating to water: insufficient fresh water, inequitable distribution of water resources, poor water management in certain places on the planet, detection of water-borne diseases due to poor water quality, and the negative impacts of climate change on water. One of the major challenges in the world is finding ways to ensure that people and the environment have enough water resources to sustain and support their existence. Thus, this research project aims to develop a tool to assess the availability, quality and needs of water in current and future situations with regard to climate change. This tool was tested using threshold values for three regions in three countries: the Metropolitan Community of Montreal (Canada), Normandie Region (France) and North Department (Haiti). The WEAP software was used to evaluate the available quantity of water resources. For water quality, two models were performed: the Canadian Council of Ministers of the Environment (CCME) and the Malaysian Water Quality Index (WQI). Preliminary results showed that the ratio of the needs could be estimated at 155, 308 and 644 m3/capita in 2023 for Normandie, Cap-Haitian and CMM, respectively. Then, the Water Quality Index (WQI) varied from one country to another. Other simulations regarding the water availability and quality are still in progress. This tool will be very useful in decision-making on projects relating to water use in the future; it will make it possible to estimate whether the available resources will be able to satisfy the needs.

Keywords: climate change, water needs, balance sheet, water quality

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Authors: Sonam Kumari

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Mycobacterium tuberculosis (Mtb), the causative agent of tuberculosis, possesses a remarkable feature of entering into and emerging from a persistent state. The mechanism by which Mtb switches from the dormant state to the replicative form is still poorly characterized. Proteome studies have given us an insight into the role of certain proteins in giving stupendous virulence to Mtb, but numerous dotsremain unconnected and unaccounted. The WhiB family of proteins is one such protein that is associated with developmental processes in actinomycetes.Mtb has seven such proteins (WhiB1 to WhiB7).WhiB proteins are transcriptional regulators; their conserved C-terminal HTH motif is involved in DNA binding. They regulate various essential genes of Mtbby binding to their promoter DNA. Biophysical Analysis of the effect of DNA binding on WhiB proteins has not yet been appropriately characterized. Interaction with DNA induces conformational changes in the WhiB proteins, confirmed by steady-state fluorescence and circular dichroism spectroscopy. ITC has deduced thermodynamic parameters and the binding affinity of the interaction. Since these transcription factors are highly unstable in vitro, their stability and solubility were enhanced by the co-expression of molecular chaperones. The present study findings help determine the conditions under which the WhiB proteins interact with their interacting partner and the factors that influence their binding affinity. This is crucial in understanding their role in regulating gene expression in Mtbandin targeting WhiB proteins as a drug target to cure TB.

Keywords: tuberculosis, WhiB proteins, mycobacterium tuberculosis, nucleic acid binding

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Authors: Soroush Hooshyar, Mohamadali Masoudian, Natalie Germann

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Many soft materials such as polymer solutions can develop localized bands with different shear rates, which are known as shear bands. Using the generalized bracket approach of nonequilibrium thermodynamics, we recently developed a new two-fluid model to study shear banding for semi-dilute polymer solutions. The two-fluid approach is an appropriate means for describing diffusion processes such as Fickian diffusion and stress-induced migration. In this approach, it is assumed that the local gradients in concentration and, if accounted for, also stress generate a nontrivial velocity difference between the components. Since the differential velocity is treated as a state variable in our model, the implementation of the boundary conditions arising from the derivative diffusive terms is straightforward. Our model is a good candidate for benchmark simulations because of its simplicity. We analyzed its behavior in cylindrical Couette flow, a rectilinear channel flow, and a 4:1 planar contraction flow. The latter problem was solved using the OpenFOAM finite volume package and the impact of shear banding on the lip and salient vortices was investigated. For the other smooth geometries, we employed a standard Chebyshev pseudospectral collocation method. The results showed that the steady-state solution is unique with respect to initial conditions, deformation history, and the value of the diffusivity constant. However, smaller the value of the diffusivity constant is, the more time it takes to reach the steady state.

Keywords: nonequilibrium thermodynamics, planar contraction, polymer solutions, shear banding, two-fluid approach

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Authors: Mariem Saadi, Sabri Kanzari, Adel Zghibi

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In semi-arid areas like the Kairouan region, the constant irrigation with saline water and the overuse of groundwater resources, soils and aquifers salinization has become an increasing concern. In this study, a methodology has been developed to evaluate the groundwater contamination risk based on the unsaturated zone hydraulic properties. Two soil profiles with different ranges of salinity, one located in the north of the plain and another one in the south of plain (each 30 m deep) and both characterized by direct recharge of the aquifer were chosen. Simulations were conducted with Hydrus-1D code using measured precipitation data for the period 1998-2003 and calculated evapotranspiration for both chosen profiles. Four combinations of initial conditions of water content and salt concentration were used for the simulation process in order to find the best match between simulated and measured values. The success of the calibration of Hydrus-1D allowed the investigation of some scenarios in order to assess the contamination risk under different natural conditions. The aquifer risk contamination is related to the natural conditions where it increased while facing climate change and temperature increase and decreased in the presence of a clay layer in the unsaturated zone. Hydrus-1D was a useful tool to predict the groundwater level and quality in the case of a direct recharge and in the absence of any information related to the soil layers except for the texture.

Keywords: Hydrus-1D, Kairouan, salinization, semi-arid region, solute transport, unsaturated zone

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Authors: Ting Zou, Chengfei Zhang

Abstract:

Objectives: The purpose of this study was to investigate the role of Semaphorin 4D (Sema4D)/Plexin-B1 signaling on osteo/odontogenic differentiation of human dental pulp stem cells (DPSCs) and uncover its molecular mechanism. Methods: DPSCs were cultured in osteo/odontogenic medium. After treatment with Sema4D (10μg/mL), osteo/odontogenic differentiation and mineralization was evaluated by measuring alkaline phosphatase (ALP) activity and alizarin red S staining respectively. The expression of osteo/odontogenic genes (ALP, Col1A1, BSP, and Runx2) was determined by real-time polymerase chain reaction. p-Plexin-B1, Plexin-B1, Col1A1, RhoA, and ErbB2 were analyzed by western. Results: ALP activity and mineralization formation of DPSCs were significantly decreased after treatment with Sema4D (P<0.05). Sema4D significantly down-regulated osteo/odontogenic-related genes expression (ALP, Col1A1, BSP, and Runx2). p-Plexin-B1, Plexin-B1 and RhoA protein expression levels increased after stimulated with Sema4D, while the expression of Col1A1 decreased. Pretreatment with Plexin-B1 antibody blocked Sema4D induced p-Plexin-B1 expression. Conclusion: Sema4D suppressed osteo/odontogenic differentiation of DPSCs via RhoA-mediated pathways.

Keywords: Sema4D/Plexin-B1, dental pulp stem cells, osteo/odontogenic differentiation, alkaline phosphatase (ALP)

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Authors: Muntadher Sallal, Gareth Owenson, Mo Adda, Safa Shubbar

Abstract:

Bitcoin is a digital currency based on a peer-to-peer network to propagate and verify transactions. Bitcoin is gaining wider adoption than any previous crypto-currency. However, the mechanism of peers randomly choosing logical neighbors without any knowledge about underlying physical topology can cause a delay overhead in information propagation, which makes the system vulnerable to double-spend attacks. Aiming at alleviating the propagation delay problem, this paper introduces proximity-aware extensions to the current Bitcoin protocol, named Master Node Based Clustering (MNBC). The ultimate purpose of the proposed protocol, that are based on how clusters are formulated and how nodes can define their membership, is to improve the information propagation delay in the Bitcoin network. In MNBC protocol, physical internet connectivity increases, as well as the number of hops between nodes, decreases through assigning nodes to be responsible for maintaining clusters based on physical internet proximity. We show, through simulations, that the proposed protocol defines better clustering structures that optimize the performance of the transaction propagation over the Bitcoin protocol. The evaluation of partition attacks in the MNBC protocol, as well as the Bitcoin network, was done in this paper. Evaluation results prove that even though the Bitcoin network is more resistant against the partitioning attack than the MNBC protocol, more resources are needed to be spent to split the network in the MNBC protocol, especially with a higher number of nodes.

Keywords: Bitcoin network, propagation delay, clustering, scalability

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Authors: Emmanuel Flores Huicochea, Guadalupe Borja Mendiola, Jacqueline Flores Lopez, Rodolfo Rendon Villalobos

Abstract:

The usual procedure to investigate the properties of biodegradable films has been to prepare the film, measure the mechanical or transport properties and then decide whether the mixture has better properties than the individual components, instead of investigating whether the mixture has biopolymer-biopolymer interaction, then prepare the film and finally measure the properties of the film. The work investigates the presence of interaction biopolymer-biopolymer in a mixture of chia biopolymer and gelatin using Laser Confocal Microscopy (LCM). Previously, the chia biopolymer was obtained from chia seed. CML analysis of mixtures of chia biopolymer-gelatin without Na⁺ ions exhibited aggregates of different size, in the range of 100-400 μm, of defined color, for the two colors, but no mixing of color was observed. The increased of gelatin in the mixture decreases the size and number of aggregates. The tridimensional microstructure reveled that there are two layers of biopolymers, chia and gelatin well defined. The mixture chia biopolymer-gelatin with 10 mM Na⁺ and with a ratio 75:25 (chia-gelatin) showed lower aggregated size than others mixture with and without ions. This result could be explained because the chia biopolymer is a polyelectrolyte and the added sodium ions reduce the molecular rigidity by neutralizing the negative charges that the chia biopolymer possesses and therefore a better biopolymer-biopolymer interaction is allowed between the biopolymer of chia and gelatin.

Keywords: biopolymer-biopolymer interaction, confocal laser microscopy, CLM, microstructure, mixture chia-gelatin

Procedia PDF Downloads 201

Authors: Carlos G. Santos, Frederico A. Genezini, A. P. Dos Santos, H. Yorivaz, P. T. D. Siqueira

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The Prompt-Gamma Activation Analysis (PGAA) is a valuable technique for investigating the elemental composition of various samples. However, the installation of a PGAA system entails specific conditions such as filtering the neutron beam according to the target and providing adequate shielding for both users and detectors. These requirements incur substantial costs, exceeding $100,000, including manpower. Nevertheless, a cost-effective approach involves leveraging an existing neutron beam facility to create a hybrid system integrating PGAA and Neutron Tomography (NT). The IEA-R1 nuclear reactor at IPEN/USP possesses an NT facility with suitable conditions for adapting and implementing a PGAA device. The NT facility offers a thermal flux slightly colder and provides shielding for user protection. The key additional requirement involves designing detector shielding to mitigate high gamma ray background and safeguard the HPGe detector from neutron-induced damage. This study employs Monte Carlo simulations with the MCNP6 code to optimize the collimator plug for PGAA within the IEA-R1 NT facility. Three collimator models are proposed and simulated to assess their effectiveness in shielding gamma and neutron radiation from nucleon fission. The aim is to achieve a focused prompt-gamma signal while shielding ambient gamma radiation. The simulation results indicate that one of the proposed designs is particularly suitable for the PGAA-NT hybrid system.

Keywords: MCNP6.1, neutron, prompt-gamma ray, prompt-gamma activation analysis

Procedia PDF Downloads 63

Authors: Benaliouche Hana, Abdessemed Djamal, Meniai Abdessalem, Lesage Geoffroy, Heran Marc

Abstract:

This paper presents a dynamic mathematical model of activated sludge which is able to predict the formation and degradation kinetics of SMP (Soluble microbial products) in membrane bioreactor systems. The model is based on a calibrated version of ASM1 with the theory of production and degradation of SMP. The model was calibrated on the experimental data from MBR (Mathematical modeling Membrane bioreactor) pilot plant. Analytical expressions have been developed, describing the concentrations of the main state variables present in the sludge matrix, with the inclusion of only six additional linear differential equations. The objective is to present a new dynamic mathematical model of activated sludge capable of predicting the formation and degradation kinetics of SMP (UAP and BAP) from the submerged membrane bioreactor (BRMI), operating at low organic load (C / N = 3.5), for two sludge retention times (SRT) fixed at 40 days and 60 days, to study their impact on membrane fouling, The modeling study was carried out under the steady-state condition. Analytical expressions were then validated by comparing their results with those obtained by simulations using GPS-X-Hydromantis software. These equations made it possible, by means of modeling approaches (ASM1), to identify the operating and kinetic parameters and help to predict membrane fouling.

Keywords: Activated Sludge Model No. 1 (ASM1), mathematical modeling membrane bioreactor, soluble microbial products, UAP, BAP, Modeling SMP, MBR, heterotrophic biomass

Procedia PDF Downloads 290