Search results for: distance decay gradient
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2979

Search results for: distance decay gradient

1629 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

Abstract:

A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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1628 Using a GIS-Based Method for Green Infrastructure Accessibility of Different Socio-Economic Groups in Auckland, New Zealand

Authors: Jing Ma, Xindong An

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Green infrastructure, the most important aspect of improving the quality of life, has been a crucial element of the liveability measurement. With demanding of more liveable urban environment from increasing population in city area, access to green infrastructure in walking distance should be taken into consideration. This article exemplifies the study on accessibility measurement of green infrastructure in central Auckland (New Zealand), using network analysis tool on the basis of GIS, to verify the accessibility levels of green infrastructure. It analyses the overall situation of green infrastructure and draws some conclusions on the city’s different levels of accessibility according to the categories and facilities distribution, which provides valuable references and guidance for the future facility improvement in planning strategies.

Keywords: quality of life, green infrastructure, GIS, accessibility

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1627 Fuzzy Inference Based Modelling of Perception Reaction Time of Drivers

Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

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Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: driver, fuzzy logic, perception reaction time, premise variable

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1626 Statistical Analysis with Prediction Models of User Satisfaction in Software Project Factors

Authors: Katawut Kaewbanjong

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We analyzed a volume of data and found significant user satisfaction in software project factors. A statistical significance analysis (logistic regression) and collinearity analysis determined the significance factors from a group of 71 pre-defined factors from 191 software projects in ISBSG Release 12. The eight prediction models used for testing the prediction potential of these factors were Neural network, k-NN, Naïve Bayes, Random forest, Decision tree, Gradient boosted tree, linear regression and logistic regression prediction model. Fifteen pre-defined factors were truly significant in predicting user satisfaction, and they provided 82.71% prediction accuracy when used with a neural network prediction model. These factors were client-server, personnel changes, total defects delivered, project inactive time, industry sector, application type, development type, how methodology was acquired, development techniques, decision making process, intended market, size estimate approach, size estimate method, cost recording method, and effort estimate method. These findings may benefit software development managers considerably.

Keywords: prediction model, statistical analysis, software project, user satisfaction factor

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1625 Thermomagnetic Convection of a Ferrofluid in a Non-Uniform Magnetic Field Induced a Current Carrying Wire

Authors: Ashkan Vatani, Peter Woodfield, Nam-Trung Nguyen, Dzung Dao

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Thermomagnetic convection of a ferrofluid flow induced by the non-uniform magnetic field around a current-carrying wire was theoretically analyzed and experimentally tested. To show this phenomenon, the temperature rise of a hot wire, immersed in DIW and Ferrofluid, as a result of joule heating has been measured using a transient hot-wire technique. When current is applied to the wire, a temperature gradient is imposed on the magnetic fluid resulting in non-uniform magnetic susceptibility of the ferrofluid that results in a non-uniform magnetic body force which makes the ferrofluid flow as a bulk suspension. For the case of the wire immersed in DIW, free convection is the only means of cooling, while for the case of ferrofluid a combination of both free convection and thermomagnetic convection is expected to enhance the heat transfer from the wire beyond that of DIW. Experimental results at different temperatures and for a range of constant currents applied to the wire show that thermomagnetic convection becomes effective for the currents higher than 1.5A at all temperatures. It is observed that the onset of thermomagnetic convection is directly proportional to the current applied to the wire and that the thermomagnetic convection happens much faster than the free convection. Calculations show that a 35% enhancement in heat transfer can be expected for the ferrofluid compared to DIW, for a 3A current applied to the wire.

Keywords: cooling, ferrofluid, thermomagnetic convection, magnetic field

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1624 Benefit Of Waste Collection Route Optimisation

Authors: Bojana Tot, Goran BošKović, Goran Vujić

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Route optimisation is a process of planning one or multiple routes, with the purpose of minimizing overall costs, while achieving the highest possible performance under a set of given constraints. It combines routing or route planning, which is the process of creating the most cost-effective route by minimizing the distance or travelled time necessary to reach a set of planned stops, and route scheduling, which is the process of assigning an arrival and service time for each stop, with drivers being given shifts that adhere to their working hours. The objective of this paper is to provide benefits on the implementation of waste collection route optimisation and thus achieve economic efficiency for public utility companies, better service for citizens and positive environment and health.

Keywords: waste management, environment, collection route optimisation, GIS

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1623 First Principle Studies on the Structural, Electronic and Magnetic Properties of Some BaMn-Based Double Perovskites

Authors: Amel Souidi, S. Bentata, B. Bouadjemi, T. Lantri, Z. Aziz

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Perovskite materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we have investigated the structural, electronic and magnetic properties of double perovskites Ba2MnXO6 with X= Mo and W by using the full-potential linearized augmented plane wave (FP-LAPW) method based on Density Functional Theory (DFT) [1, 2] as implemented in the WIEN2K [3] code. The interchange-correlation potential was included through the generalized gradient approximation (GGA) [4] as well as taking into account the on-site coulomb repulsive interaction in (GGA+U) approach. We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. The results show that the materials crystallize in the 225 space group (Fm-3m) and have a lattice parameter of about 7.97 Å and 7.95 Å for Ba2MnMoO6 and Ba2MnWO6, respectively. The band structures reveal a metallic ferromagnetic (FM) ground state in Ba2MnMoO6 and half-metallic (HM) ferromagnetic (FM) ground state in the Ba2MnWO6 compound, with total magnetic moment equal 2.9951μB (Ba2MnMoO6 ) and 4.0001μB (Ba2MnWO6 ). The GGA+U calculations predict an energy gap in the spin-up bands in Ba2MnWO6. So we estimate that this material with HM-FM nature implies a promising application in spin-electronics technology.

Keywords: double perovskites, electronic structure, first-principles, semiconductors

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1622 Community Crèche Is a Measure to Prevent Child Injuries: Its Challenges and Measures for Improvement

Authors: Rabbya Ashrafi, Mohammad Tarikul Islam , Al-Amin Bhuiyan, Aminur Rahman

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Injury is the leading killer of children in Bangladesh. Anchal (community crèche) is an effective intervention to prevent injuries among children under 5. Through the SoLiD project, 1,600 Anchals are in place in three sub-districts in Bangladesh. The objectives of the Anchal are to provide supervision and early childhood development stimulations (ECD) to the children. A locally trained caregiver supervises 20-25 children, 9 to 59 months old, from 9 a.m. to 1 p.m., six days a week. Although it was found effective, during its implementation phase several challenges were noticed. To identify challenges and means to overcome those to improve the Anchal activities. In-depth interviews were conducted with Anchal caregivers, their supervisors, and trainers. Focus group discussions were conducted with the mothers of the Anchal children. The study was conducted in the Manohardi sub-district in November 2015. Decay of knowledge and skills after 2-3 months of training, lack of formal certification and inappropriate selection of women as Anchal caregivers, and enrollment of small children (less than 12 months) were the important challenges. The reluctance of parents to send children to the Anchal at the proper time, failure to engage children in various ECD activities, ineffective conduction of parents and community leaders meeting by the Anchal caregivers, insufficient accommodation, and poor supply of logistics for children were also the important challenges. The suggestion for improvement was to recruit caregivers as per standard criteria, provide them refreshers training at three months intervals, train them on effective conduction of parents and community leaders meetings, provide a formal certificate, and ensure regular supply of logistics. The identified challenges are needed to be addressed by utilizing the suggestions obtained from the IDIs and FGDs to make the Anchal intervention more effective in preventing childhood injuries.

Keywords: comunity crech, earlychildhood development, measures for improvement, childhood injury

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1621 Dynamic Behavior of the Nanostructure of Load-Bearing Biological Materials

Authors: Mahan Qwamizadeh, Kun Zhou, Zuoqi Zhang, Yong Wei Zhang

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Typical load-bearing biological materials like bone, mineralized tendon and shell, are biocomposites made from both organic (collagen) and inorganic (biomineral) materials. This amazing class of materials with intrinsic internally designed hierarchical structures show superior mechanical properties with regard to their weak components from which they are formed. Extensive investigations concentrating on static loading conditions have been done to study the biological materials failure. However, most of the damage and failure mechanisms in load-bearing biological materials will occur whenever their structures are exposed to dynamic loading conditions. The main question needed to be answered here is: What is the relation between the layout and architecture of the load-bearing biological materials and their dynamic behavior? In this work, a staggered model has been developed based on the structure of natural materials at nanoscale and Finite Element Analysis (FEA) has been used to study the dynamic behavior of the structure of load-bearing biological materials to answer why the staggered arrangement has been selected by nature to make the nanocomposite structure of most of the biological materials. The results showed that the staggered structures will efficiently attenuate the stress wave rather than the layered structure. Furthermore, such staggered architecture is effectively in charge of utilizing the capacity of the biostructure to resist both normal and shear loads. In this work, the geometrical parameters of the model like the thickness and aspect ratio of the mineral inclusions selected from the typical range of the experimentally observed feature sizes and layout dimensions of the biological materials such as bone and mineralized tendon. Furthermore, the numerical results validated with existing theoretical solutions. Findings of the present work emphasize on the significant effects of dynamic behavior on the natural evolution of load-bearing biological materials and can help scientists to design bioinspired materials in the laboratories.

Keywords: load-bearing biological materials, nanostructure, staggered structure, stress wave decay

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1620 Roullete Wheel Selection Mechanism for Solving Travelling Salesman Problem in Ant Colony Optimization

Authors: Sourabh Joshi, Geetinder Kaur, Sarabjit Kaur, Gulwatanpreet Singh, Geetika Mannan

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In this paper, we have use an algorithm that able to obtain an optimal solution to travelling salesman problem from a huge search space, quickly. This algorithm is based upon the ant colony optimization technique and employees roulette wheel selection mechanism. To illustrate it more clearly, a program has been implemented which is based upon this algorithm, that presents the changing process of route iteration in a more intuitive way. In the event, we had find the optimal path between hundred cities and also calculate the distance between two cities.

Keywords: ant colony, optimization, travelling salesman problem, roulette wheel selection

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1619 Experimental and Numerical Studies on Hydrogen Behavior in a Small-Scale Container with Passive Autocatalytic Recombiner

Authors: Kazuyuki Takase, Yoshihisa Hiraki, Gaku Takase, Isamu Kudo

Abstract:

One of the most important issue is to ensure the safety of long-term waste storage containers in which fuel debris and radioactive materials are accumulated. In this case, hydrogen generated by water decomposition by radiation is accumulated in the container for a long period of time, so it is necessary to reduce the concentration of hydrogen in the container. In addition, a condition that any power supplies from the outside of the container are unnecessary is requested. Then, radioactive waste storage containers with the passive autocatalytic recombiner (PAR) would be effective. The radioactive waste storage container with PAR was used for moving the fuel debris of the Three Mile Island Unit 2 to the storage location. However, the effect of PAR is not described in detail. Moreover, the reduction of hydrogen concentration during the long-term storage period was performed by the venting system, which was installed on the top of the container. Therefore, development of a long-term storage container with PAR was started with the aim of safely storing fuel debris picked up at the Fukushima Daiichi Nuclear Power Plant for a long period of time. A fundamental experiment for reducing the concentration of hydrogen which generates in a nuclear waste long-term storage container was carried out using a small-scale container with PAR. Moreover, the circulation flow behavior of hydrogen in the small-scale container resulting from the natural convection by the decay heat was clarified. In addition, preliminary numerical analyses were performed to predict the experimental results regarding the circulation flow behavior and the reduction of hydrogen concentration in the small-scale container. From the results of the present study, the validity of the container with PAR was experimentally confirmed on the reduction of hydrogen concentration. In addition, it was predicted numerically that the circulation flow behavior of hydrogen in the small-scale container is blocked by steam which generates by chemical reaction of hydrogen and oxygen.

Keywords: hydrogen behavior, reduction of concentration, long-term storage container, small-scale, PAR, experiment, analysis

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1618 Science behind Quantum Teleportation

Authors: Ananya G., B. Varshitha, Shwetha S., Kavitha S. N., Praveen Kumar Gupta

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Teleportation is the ability to travel by just reappearing at some other spot. Though teleportation has never been achieved, quantum teleportation is possible. Quantum teleportation is a process of transferring the quantum state of a particle onto another particle, under the circumstance that one does not get to know any information about the state in the process of transformation. This paper presents a brief overview of quantum teleportation, discussing the topics like Entanglement, EPR Paradox, Bell's Theorem, Qubits, elements for a successful teleport, some examples of advanced teleportation systems (also covers few ongoing experiments), applications (that includes quantum cryptography), and the current hurdles for future scientists interested in this field. Finally, major advantages and limitations to the existing teleportation theory are discussed.

Keywords: teleportation, quantum teleportation, quantum entanglement, qubits, EPR paradox, bell states, quantum particles, spooky action at a distance

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1617 Urban Boundary Layer and Its Effects on Haze Episode in Thailand

Authors: S. Bualert, K. Duangmal

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Atmospheric boundary layer shows effects of land cover on atmospheric characteristic in term of temperature gradient and wind profile. They are key factors to control atmospheric process such as atmospheric dilution and mixing via thermal and mechanical turbulent. Bangkok, ChiangMai, and Hatyai are major cities of central, southern and northern of Thailand, respectively. The different of them are location, geography and size of the city, Bangkok is the most urbanized city and classified as mega city compared to ChiangMai and HatYai, respectively. They have been suffering from air pollution episode such as transboundary haze. The worst period of the northern part of Thailand was occurred at the end of February through April of each year. The particulate matter less than 10 micrometer (PM10) concentrations were higher than Thai’s ambient air quality standard (120 micrograms per cubic meter) more than two times. Radiosonde technique and air pollutant (CO, PM10, TSP, O3, NOx) measurements were used to identify characteristics of urban boundary layer and air pollutions problems in the cities. Furthermore, air pollutant profiles showed good relationship to characteristic’s urban boundary layer especially on daytime temperature inversion on 29 February 2009 caused two times higher than normal concentrations of CO and particulate matter.

Keywords: haze episode, micrometeorology, temperature inversion, urban boundary layer

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1616 Starlink Satellite Collision Probability Simulation Based on Simplified Geometry Model

Authors: Toby Li, Julian Zhu

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In this paper, a model based on a simplified geometry is introduced to give a very conservative collision probability prediction for the Starlink satellite in its most densely clustered region. Under the model in this paper, the probability of collision for Starlink satellite where it clustered most densely is found to be 8.484 ∗ 10^−4. It is found that the predicted collision probability increased nonlinearly with the increased safety distance set. This simple model provides evidence that the continuous development of maneuver avoidance systems is necessary for the future of the orbital safety of satellites under the harsher Lower Earth Orbit environment.

Keywords: Starlink, collision probability, debris, geometry model

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1615 Development and Validation of a HPLC Method for 6-Gingerol and 6-Shogaol in Joint Pain Relief Gel Containing Ginger (Zingiber officinale)

Authors: Tanwarat Kajsongkram, Saowalux Rotamporn, Sirinat Limbunruang, Sirinan Thubthimthed.

Abstract:

High-Performance Liquid Chromatography (HPLC) method was developed and validated for simultaneous estimation of 6-Gingerol(6G) and 6-Shogaol(6S) in joint pain relief gel containing ginger extract. The chromatographic separation was achieved by using C18 column, 150 x 4.6mm i.d., 5μ Luna, mobile phase containing acetonitrile and water (gradient elution). The flow rate was 1.0 ml/min and the absorbance was monitored at 282 nm. The proposed method was validated in terms of the analytical parameters such as specificity, accuracy, precision, linearity, range, limit of detection (LOD), limit of quantification (LOQ), and determined based on the International Conference on Harmonization (ICH) guidelines. The linearity ranges of 6G and 6S were obtained over 20-60 and 6-18 µg/ml respectively. Good linearity was observed over the above-mentioned range with linear regression equation Y= 11016x- 23778 for 6G and Y = 19276x-19604 for 6S (x is concentration of analytes in μg/ml and Y is peak area). The value of correlation coefficient was found to be 0.9994 for both markers. The limit of detection (LOD) and limit of quantification (LOQ) for 6G were 0.8567 and 2.8555 µg/ml and for 6S were 0.3672 and 1.2238 µg/ml respectively. The recovery range for 6G and 6S were found to be 91.57 to 102.36 % and 84.73 to 92.85 % for all three spiked levels. The RSD values from repeated extractions for 6G and 6S were 3.43 and 3.09% respectively. The validation of developed method on precision, accuracy, specificity, linearity, and range were also performed with well-accepted results.

Keywords: ginger, 6-gingerol, HPLC, 6-shogaol

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1614 Boundary Layer Control Using a Magnetic Field: A Case Study in the Framework of Ferrohydrodynamics

Authors: C. F. Alegretti, F. R. Cunha, R. G. Gontijo

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This work investigates the effects of an applied magnetic field on the geometry-driven boundary layer detachment flow of a ferrofluid over a sudden expansion. Both constitutive equation and global magnetization equation for a ferrofluid are considered. Therefore, the proposed formulation consists in a coupled magnetic-hydrodynamic problem. Computational simulations are carried out in order to explore, not only the viability to control flow instabilities, but also to evaluate the consistency of theoretical aspects. The unidirectional sudden expansion in a ferrofluid flow is investigated numerically under the perspective of Ferrohydrodynamics in a two-dimensional domain using a Finite Differences Method. The boundary layer detachment induced by the sudden expansion results in a recirculating zone, which has been extensively studied in non-magnetic hydrodynamic problems for a wide range of Reynolds numbers. Similar investigations can be found in literature regarding the sudden expansion under the magnetohydrodynamics framework, but none considering a colloidal suspension of magnetic particles out of the superparamagnetic regime. The vorticity-stream function formulation is implemented and results in a clear coupling between the flow vorticity and its magnetization field. Our simulations indicate a systematic decay on the length of the recirculation zone as increasing physical parameters of the flow, such as the intensity of the applied field and the volume fraction of particles. The results all are discussed from a physical point of view in terms of the dynamical non-dimensional parameters. We argue that the decrease/reduction in the recirculation region of the flow is a direct consequence of the magnetic torque balancing the action of the torque produced by viscous and inertial forces of the flow. For the limit of small Reynolds and magnetic Reynolds parameters, the diffusion of vorticity balances the diffusion of the magnetic torque on the flow. These mechanics control the growth of the recirculation region.

Keywords: boundary layer detachment, ferrofluid, ferrohydrodynamics, magnetization, sudden expansion

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1613 An Improved Adaptive Dot-Shape Beamforming Algorithm Research on Frequency Diverse Array

Authors: Yanping Liao, Zenan Wu, Ruigang Zhao

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Frequency diverse array (FDA) beamforming is a technology developed in recent years, and its antenna pattern has a unique angle-distance-dependent characteristic. However, the beam is always required to have strong concentration, high resolution and low sidelobe level to form the point-to-point interference in the concentrated set. In order to eliminate the angle-distance coupling of the traditional FDA and to make the beam energy more concentrated, this paper adopts a multi-carrier FDA structure based on proposed power exponential frequency offset to improve the array structure and frequency offset of the traditional FDA. The simulation results show that the beam pattern of the array can form a dot-shape beam with more concentrated energy, and its resolution and sidelobe level performance are improved. However, the covariance matrix of the signal in the traditional adaptive beamforming algorithm is estimated by the finite-time snapshot data. When the number of snapshots is limited, the algorithm has an underestimation problem, which leads to the estimation error of the covariance matrix to cause beam distortion, so that the output pattern cannot form a dot-shape beam. And it also has main lobe deviation and high sidelobe level problems in the case of limited snapshot. Aiming at these problems, an adaptive beamforming technique based on exponential correction for multi-carrier FDA is proposed to improve beamforming robustness. The steps are as follows: first, the beamforming of the multi-carrier FDA is formed under linear constrained minimum variance (LCMV) criteria. Then the eigenvalue decomposition of the covariance matrix is ​​performed to obtain the diagonal matrix composed of the interference subspace, the noise subspace and the corresponding eigenvalues. Finally, the correction index is introduced to exponentially correct the small eigenvalues ​​of the noise subspace, improve the divergence of small eigenvalues ​​in the noise subspace, and improve the performance of beamforming. The theoretical analysis and simulation results show that the proposed algorithm can make the multi-carrier FDA form a dot-shape beam at limited snapshots, reduce the sidelobe level, improve the robustness of beamforming, and have better performance.

Keywords: adaptive beamforming, correction index, limited snapshot, multi-carrier frequency diverse array, robust

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1612 Bed Evolution under One-Episode Flushing in a Truck Sewer in Paris, France

Authors: Gashin Shahsavari, Gilles Arnaud-Fassetta, Alberto Campisano, Roberto Bertilotti, Fabien Riou

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Sewer deposits have been identified as a major cause of dysfunctions in combined sewer systems regarding sewer management, which induces different negative consequents resulting in poor hydraulic conveyance, environmental damages as well as worker’s health. In order to overcome the problematics of sedimentation, flushing has been considered as the most operative and cost-effective way to minimize the sediments impacts and prevent such challenges. Flushing, by prompting turbulent wave effects, can modify the bed form depending on the hydraulic properties and geometrical characteristics of the conduit. So far, the dynamics of the bed-load during high-flow events in combined sewer systems as a complex environment is not well understood, mostly due to lack of measuring devices capable to work in the “hostile” in combined sewer system correctly. In this regards, a one-episode flushing issue from an opening gate valve with weir function was carried out in a trunk sewer in Paris to understanding its cleansing efficiency on the sediments (thickness: 0-30 cm). During more than 1h of flushing within 5 m distance in downstream of this flushing device, a maximum flowrate and a maximum level of water have been recorded at 5 m in downstream of the gate as 4.1 m3/s and 2.1 m respectively. This paper is aimed to evaluate the efficiency of this type of gate for around 1.1 km (from the point -50 m to +1050 m in downstream from the gate) by (i) determining bed grain-size distribution and sediments evolution through the sewer channel, as well as their organic matter content, and (ii) identifying sections that exhibit more changes in their texture after the flush. For the first one, two series of sampling were taken from the sewer length and then analyzed in laboratory, one before flushing and second after, at same points among the sewer channel. Hence, a non-intrusive sampling instrument has undertaken to extract the sediments smaller than the fine gravels. The comparison between sediments texture after the flush operation and the initial state, revealed the most modified zones by the flush effect, regarding the sewer invert slope and hydraulic parameters in the zone up to 400 m from the gate. At this distance, despite the increase of sediment grain-size rages, D50 (median grain-size) varies between 0.6 mm and 1.1 mm compared to 0.8 mm and 10 mm before and after flushing, respectively. Overall, regarding the sewer channel invert slope, results indicate that grains smaller than sands (< 2 mm) are more transported to downstream along about 400 m from the gate: in average 69% before against 38% after the flush with more dispersion of grain-sizes distributions. Furthermore, high effect of the channel bed irregularities on the bed material evolution has been observed after the flush.

Keywords: bed-load evolution, combined sewer systems, flushing efficiency, sediments transport

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1611 Theoretical Study of Structural and Electronic Properties of Matlockite CaFX (X = I and Br) Compounds

Authors: Meriem Harmel, Houari Khachai

Abstract:

The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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1610 The Effects of High-frequency rTMS Targeting the Mirror Neurons on Improving Social Awareness in ASD, the Preliminary Analysis of a Pilot Study

Authors: Mitra Assadi, Md. Faan

Abstract:

Background: Autism Spectrum Disorder (ASD) in a common neurodevelopmental disorder with limited pharmacological interventions. Transcranial Magnetic Stimulation (rTMS) has produced promising results in ASD, although there is no consensus regarding optimal targets or stimulation paradigms. A prevailing theory in ASD attributes the core deficits to dysfunction of the mirror neurons located in the inferior parietal lobule (IPL) and inferior frontal gyrus (IFG). Methods: Thus far, 11 subjects with ASD, 10 boys and 1 girl with the mean age of 13.36 years have completed the study by receiving 10 session of high frequency rTMS to the IPL. The subjects were randomized to receive stimulation on the left or right IPL and sham stimulation to the opposite side. The outcome measures included the Social Responsiveness Scale – Second Edition (SRS-2) and Delis-Kaplan Executive Function System (D-KEFS) Verbal Fluency task. Results: None of the 11 subjects experienced any adverse effects. The rTMS did not produce any improvement in verbal fluency, nor there was any statistically significant difference between the right versus left sided stimulation. Analysis of social awareness on SRS-2 (SRS-AWR) indicated a close to significant effect of the treatment with a small to medium effect size. After removing a single subject with Level 3 ASD, we demonstrated a close to significant improvement on SRS-AWR with a large effect size. The analysis of the data 3-month post TMS demonstrated return of the SRS-AWR values to baseline. Conclusion: This preliminary analysis of the 11 subjects who have completed our study thus far shows a favorable response to high frequency rTMS stimulation of the mirror neurons/IPL on social awareness. While the decay of the response noted during the 3-month follow-up may be considered a limitation of rTMS, the presence of the improvement, especially the effect size despite the small sample size, is indicative of the efficacy of this technique.

Keywords: rTMS, autism, scoial cognition, mirror neurons

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1609 Understanding Surface Failures in Thick Asphalt Pavement: A 3-D Finite Element Model Analysis

Authors: Hana Gebremariam Liliso

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This study investigates the factors contributing to the deterioration of thick asphalt pavements, such as rutting and cracking. We focus on the combined influence of traffic loads and pavement structure. This study uses a three-dimensional finite element model with a Mohr-Coulomb failure criterion to analyze the stress levels near the pavement's surface under realistic conditions. Our model considers various factors, including tire-pavement contact stresses, asphalt properties, moving loads, and dynamic analysis. This research suggests that cracking tends to occur between dual tires. Some key discoveries include the risk of cracking increases as temperatures rise; surface cracking at high temperatures is associated with distortional deformation; using a uniform contact stress distribution underestimates the risk of failure compared to realistic three-dimensional tire contact stress, particularly at high temperatures; the risk of failure is higher near the surface when there is a negative temperature gradient in the asphalt layer; and debonding beneath the surface layer leads to increased shear stress and premature failure around the interface.

Keywords: asphalt pavement, surface failure, 3d finite element model, multiaxial stress states, Mohr-Coulomb failure criterion

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1608 Customer Preference in the Textile Market: Fabric-Based Analysis

Authors: Francisca Margarita Ocran

Abstract:

Underwear, and more particularly bras and panties, are defined as intimate clothing. Strictly speaking, they enhance the place of women in the public or private satchel. Therefore, women's lingerie is a complex garment with a high involvement profile, motivating consumers to buy it not only by its functional utility but also by the multisensory experience it provides them. Customer behavior models are generally based on customer data mining, and each model is designed to answer questions at a specific time. Predicting the customer experience is uncertain and difficult. Thus, knowledge of consumers' tastes in lingerie deserves to be treated as an experiential product, where the dimensions of the experience motivating consumers to buy a lingerie product and to remain faithful to it must be analyzed in detail by the manufacturers and retailers to engage and retain consumers, which is why this research aims to identify the variables that push consumers to choose their lingerie product, based on an in-depth analysis of the types of fabrics used to make lingerie. The data used in this study comes from online purchases. Machine learning approach with the use of Python programming language and Pycaret gives us a precision of 86.34%, 85.98%, and 84.55% for the three algorithms to use concerning the preference of a buyer in front of a range of lingerie. Gradient Boosting, random forest, and K Neighbors were used in this study; they are very promising and rich in the classification of preference in the textile industry.

Keywords: consumer behavior, data mining, lingerie, machine learning, preference

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1607 ICTs Knowledge as a Way of Enhancing Literacy and Lifelong Learning in Nigeria

Authors: Jame O. Ezema, Odenigbo Veronica

Abstract:

The study covers the topic Information Communication and Technology (ICTs) knowledge as a way of enhancing Literacy and Lifelong learning in Nigeria. This work delved into defining of ICTs. Types of ICTs and media technologies were also mentioned. It further explained how ICTs can be strengthened and the uses of ICTs in education was duly emphasized. The paper also enumerated some side effects of ICTs on learners while the role of ICTs in enhancing literacy was explained. The study carried out strategies to use ICTs meaningfully in Literacy Programs and also emphasized the word lifelong learning in Nigeria. Some recommendations were made towards acquiring ICTs knowledge, so as to enhance Literacy and Lifelong learning in Nigeria.

Keywords: literacy, distance-learning, life-long learning for sustainable development, e-learning

Procedia PDF Downloads 484
1606 Production of Hydroxy Marilone C as a Bioactive Compound from Streptomyces badius

Authors: Osama H. Elsayed, Mohsen M. S. Asker, Mahmoud A. Swelim, Ibrahim H. Abbas, Aziza I. Attwa, Mohamed E. El Awady

Abstract:

Hydroxy marilone C is a bioactive metabolite was produced from the culture broth of Streptomyces badius isolated from Egyptian soil. hydroxy marilone C was purified and fractionated by silica gel column with a gradient mobile phase dicloromethane (DCM) : Methanol then Sephadex LH-20 column using methanol as a mobile phase. It was subjected to many instruments as Infrared (IR), nuclear magnetic resonance (NMR), Mass spectroscopy (MS) and UV spectroscopy to the elucidation of its structure. It was evaluated for antioxidant, cytotoxicity against human alveolar basal epithelial cell line (A-549) and human breast adenocarcinoma cell line (MCF-7) and antiviral activities; showed that the maximum antioxidant activity was 78.8 % at 3000 µg/ml after 90 min. and the IC50 value against DPPH radical found about 1500 µg/ml after 60 min. By Using MTT assay the effect of the pure compound on the proliferation of A-549 cells and MCF-7 cells were 443 µg/ml and 147.9 µg/ml, respectively. While for detection of antiviral activity using Madin-Darby canine kidney (MDCK) cells the maximum cytotoxicity was at 27.9% and IC50 was 128.1µg/ml. The maximum concentration required for protecting 50% of the virus-infected cells against H1N1 viral cytopathogenicity (EC50) was 33.25% for 80 µg/ml. This results indicated that the hydroxy marilone C has a potential antitumor and antiviral activities.

Keywords: hydroxy marilone C, production, bioactive compound, Streptomyces badius

Procedia PDF Downloads 245
1605 Dry Modifications of PCL/Chitosan/PCL Tissue Scaffolds

Authors: Ozan Ozkan, Hilal Turkoglu Sasmazel

Abstract:

Natural polymers are widely used in tissue engineering applications, because of their biocompatibility, biodegradability and solubility in the physiological medium. On the other hand, synthetic polymers are also widely utilized in tissue engineering applications, because they carry no risk of infectious diseases and do not cause immune system reaction. However, the disadvantages of both polymer types block their individual usages as tissue scaffolds efficiently. Therefore, the idea of usage of natural and synthetic polymers together as a single 3D hybrid scaffold which has the advantages of both and the disadvantages of none has been entered to the literature. On the other hand, even though these hybrid structures support the cell adhesion and/or proliferation, various surface modification techniques applied to the surfaces of them to create topographical changes on the surfaces and to obtain reactive functional groups required for the immobilization of biomolecules, especially on the surfaces of synthetic polymers in order to improve cell adhesion and proliferation. In a study presented here, to improve the surface functionality and topography of the layer by layer electrospun 3D poly-epsilon-caprolactone/chitosan/poly-epsilon-caprolactone hybrid tissue scaffolds by using atmospheric pressure plasma method, thus to improve cell adhesion and proliferation of these tissue scaffolds were aimed. The formation/creation of the functional hydroxyl and amine groups and topographical changes on the surfaces of scaffolds were realized by using two different atmospheric pressure plasma systems (nozzle type and dielectric barrier discharge (DBD) type) carried out under different gas medium (air, Ar+O2, Ar+N2). The plasma modification time and distance for the nozzle type plasma system as well as the plasma modification time and the gas flow rate for DBD type plasma system were optimized with monitoring the changes in surface hydrophilicity by using contact angle measurements. The topographical and chemical characterizations of these modified biomaterials’ surfaces were carried out with SEM and ESCA, respectively. The results showed that the atmospheric pressure plasma modifications carried out with both nozzle type plasma and DBD plasma caused topographical and functionality changes on the surfaces of the layer by layer electrospun tissue scaffolds. However, the shelf life studies indicated that the hydrophilicity introduced to the surfaces was mainly because of the functionality changes. Therefore, according to the optimized results, samples treated with nozzle type air plasma modification applied for 9 minutes from a distance of 17 cm and Ar+O2 DBD plasma modification applied for 1 minute under 70 cm3/min O2 flow rate were found to have the highest hydrophilicity compared to pristine samples.

Keywords: biomaterial, chitosan, hybrid, plasma

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1604 Second Order Optimality Conditions in Nonsmooth Analysis on Riemannian Manifolds

Authors: Seyedehsomayeh Hosseini

Abstract:

Much attention has been paid over centuries to understanding and solving the problem of minimization of functions. Compared to linear programming and nonlinear unconstrained optimization problems, nonlinear constrained optimization problems are much more difficult. Since the procedure of finding an optimizer is a search based on the local information of the constraints and the objective function, it is very important to develop techniques using geometric properties of the constraints and the objective function. In fact, differential geometry provides a powerful tool to characterize and analyze these geometric properties. Thus, there is clearly a link between the techniques of optimization on manifolds and standard constrained optimization approaches. Furthermore, there are manifolds that are not defined as constrained sets in R^n an important example is the Grassmann manifolds. Hence, to solve optimization problems on these spaces, intrinsic methods are used. In a nondifferentiable problem, the gradient information of the objective function generally cannot be used to determine the direction in which the function is decreasing. Therefore, techniques of nonsmooth analysis are needed to deal with such a problem. As a manifold, in general, does not have a linear structure, the usual techniques, which are often used in nonsmooth analysis on linear spaces, cannot be applied and new techniques need to be developed. This paper presents necessary and sufficient conditions for a strict local minimum of extended real-valued, nonsmooth functions defined on Riemannian manifolds.

Keywords: Riemannian manifolds, nonsmooth optimization, lower semicontinuous functions, subdifferential

Procedia PDF Downloads 349
1603 Photophysical Study of Pyrene Butyric Acid in Aqueous Ionic Liquid

Authors: Pratap K. Chhotaray, Jitendriya Swain, Ashok Mishra, Ramesh L. Gardas

Abstract:

Ionic liquids (ILs) are molten salts, consist predominantly of ions and found to be liquid below 100°C. The unparalleled growing interest in ILs is based upon their never ending design flexibility. The use of ILs as a co-solvent in binary as well as a ternary mixture with molecular solvents multifold it’s utility. Since polarity is one of the most widely applied solvent concepts which represents simple and straightforward means for characterizing and ranking the solvent media, its study for a binary mixture of ILs is crucial for its widespread application and development. The primary approach to the assessment of solution phase intermolecular interactions, which generally occurs on the picosecond to nanosecond time scales, is to exploit the optical response of photophysical probe. Pyrene butyric acid (PBA) is used as fluorescence probe due to its high quantum yield, longer lifetime and high solvent polarity dependence of fluorescence spectra. Propylammonium formate (PAF) is the IL used for this study. Both the UV-absorbance spectra and steady state fluorescence intensity study of PBA in different concentration of aqueous PAF, reveals that with an increase in PAF concentration, both the absorbance and fluorescence intensity increases which indicate the progressive solubilisation of PBA. Whereas, near about 50% of IL concentration, all of the PBA molecules get solubilised as there are no changes in the absorbance and fluorescence intensity. Furthermore, the ratio II/IV, where the band II corresponds to the transition from S1 (ν = 0) to S0 (ν = 0), and the band IV corresponds to transition from S1 (ν = 0) to S0 (ν = 2) of PBA, indicates that the addition of water into PAF increases the polarity of the medium. Time domain lifetime study shows an increase in lifetime of PBA towards the higher concentration of PAF. It can be attributed to the decrease in non-radiative rate constant at higher PAF concentration as the viscosity is higher. The monoexponential decay suggests that homogeneity of solvation environment whereas the uneven width at full width at half maximum (FWHM) indicates there might exist some heterogeneity around the fluorophores even in the water-IL mixed solvents.

Keywords: fluorescence, ionic liquid, lifetime, polarity, pyrene butyric acid

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1602 Analytical Characterization of TiO2-Based Nanocoatings for the Protection and Preservation of Architectural Calcareous Stone Monuments

Authors: Sayed M. Ahmed, Sawsan S. Darwish, Mahmoud A. Adam, Nagib A. Elmarzugi, Mohammad A. Al-Dosari, Nadia A. Al-Mouallimi

Abstract:

Historical stone surfaces and architectural heritage especially which located in open areas may undergo unwanted changes due to the exposure to many physical and chemical deterioration factors, air pollution, soluble salts, Rh/temperature, and biodeterioration are the main causes of decay of stone building materials. The development and application of self-cleaning treatments on historical and architectural stone surfaces could be a significant improvement in conservation, protection, and maintenance of cultural heritage. In this paper, nanometric titanium dioxide has become a promising photocatalytic material owing to its ability to catalyze the complete degradation of many organic contaminants and represent an appealing way to create self-cleaning surfaces, thus limiting maintenance costs, and to promote the degradation of polluting agents. The obtained nano-TiO2 coatings were applied on travertine (Marble and limestone often used in historical and monumental buildings). The efficacy of the treatments has been evaluated after coating and artificial thermal aging, through capillary water absorption, Ultraviolet-light exposure to evaluate photo-induced and the hydrophobic effects of the coated surface, while the surface morphology before and after treatment was examined by scanning electron microscopy (SEM). The changes of molecular structure occurring in treated samples were spectroscopy studied by FTIR-ATR, and Colorimetric measurements have been performed to evaluate the optical appearance. All the results get together with the apparent effect that coated TiO2 nanoparticles is an innovative method, which enhanced the durability of stone surfaces toward UV aging, improved their resistance to relative humidity and temperature, self-cleaning photo-induced effects are well evident, and no alteration of the original features.

Keywords: architectural calcareous stone monuments, coating, photocatalysis TiO2, self-cleaning, thermal aging

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1601 Case Study of Mechanised Shea Butter Production in South-Western Nigeria Using the LCA Approach from Gate-to-Gate

Authors: Temitayo Abayomi Ewemoje, Oluwamayowa Oluwafemi Oluwaniyi

Abstract:

Agriculture and food processing, industry are among the largest industrial sectors that uses large amount of energy. Thus, a larger amount of gases from their fuel combustion technologies is being released into the environment. The choice of input energy supply not only directly having affects the environment, but also poses a threat to human health. The study was therefore designed to assess each unit production processes in order to identify hotspots using life cycle assessments (LCA) approach in South-western Nigeria. Data such as machine power rating, operation duration, inputs and outputs of shea butter materials for unit processes obtained at site were used to modelled Life Cycle Impact Analysis on GaBi6 (Holistic Balancing) software. Four scenarios were drawn for the impact assessments. Material sourcing from Kaiama, Scenarios 1, 3 and Minna Scenarios 2, 4 but different heat supply sources (Liquefied Petroleum Gas ‘LPG’ Scenarios 1, 2 and 10.8 kW Diesel Heater, scenarios 3, 4). Modelling of shea butter production on GaBi6 was for 1kg functional unit of shea butter produced and the Tool for the Reduction and Assessment of Chemical and other Environmental Impacts (TRACI) midpoint assessment was tool used to was analyse the life cycle inventories of the four scenarios. Eight categories in all four Scenarios were observed out of which three impact categories; Global Warming Potential (GWP) (0.613, 0.751, 0.661, 0.799) kg CO2¬-Equiv., Acidification Potential (AP) (0.112, 0.132, 0.129, 0.149) kg H+ moles-Equiv., and Smog (0.044, 0.059, 0.049, 0.063) kg O3-Equiv., categories had the greater impacts on the environment in Scenarios 1-4 respectively. Impacts from transportation activities was also seen to contribute more to these environmental impact categories due to large volume of petrol combusted leading to releases of gases such as CO2, CH4, N2O, SO2, and NOx into the environment during the transportation of raw shea kernel purchased. The ratio of transportation distance from Minna and Kaiama to production site was approximately 3.5. Shea butter unit processes with greater impacts in all categories was the packaging, milling and with the churning processes in ascending order of magnitude was identified as hotspots that may require attention. From the 1kg shea butter functional unit, it was inferred that locating production site at the shortest travelling distance to raw material sourcing and combustion of LPG for heating would reduce all the impact categories assessed on the environment.

Keywords: GaBi6, Life cycle assessment, shea butter production, TRACI

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1600 Image Distortion Correction Method of 2-MHz Side Scan Sonar for Underwater Structure Inspection

Authors: Youngseok Kim, Chul Park, Jonghwa Yi, Sangsik Choi

Abstract:

The 2-MHz Side Scan SONAR (SSS) attached to the boat for inspection of underwater structures is affected by shaking. It is difficult to determine the exact scale of damage of structure. In this study, a motion sensor is attached to the inside of the 2-MHz SSS to get roll, pitch, and yaw direction data, and developed the image stabilization tool to correct the sonar image. We checked that reliable data can be obtained with an average error rate of 1.99% between the measured value and the actual distance through experiment. It is possible to get the accurate sonar data to inspect damage in underwater structure.

Keywords: image stabilization, motion sensor, safety inspection, sonar image, underwater structure

Procedia PDF Downloads 270