Search results for: Random Kernel Density

Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also, we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results have shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR, and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: hydrogen bonding, density functional theory (DFT), natural bond orbitals (NBO), cooperativity effect

Procedia PDF Downloads 456

Authors: Kush Kumar, Varun Joshi

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Slope instability is a major problem of the mountainous region, especially in parts of the Indian Himalayan Region (IHR). The on-going tectonic, rugged topography, steep slope, heavy precipitation, toe erosion, structural discontinuities, and deformation are the main triggering factors of landslides in this region. Besides the loss of life, property, and infrastructure caused by a landslide, it also results in various environmental problems, i.e., degradation of slopes, land use, river quality by increased sediments, and loss of well-established vegetation. The Indian state of Uttarakhand, being a part of the active Himalayas, also faces numerous cases of slope instability. Therefore, the vulnerable landslide zones need to be delineated to safeguard various losses. The study area is focused in Garhwal and Tehri -Garhwal district of Uttarakhand state along National Highway 58, which is a strategic road and also connects the four important sacred pilgrims (Char Dham) of India. The lithology of these areas mainly comprises of sandstone, quartzite of Chakrata formation, and phyllites of Chandpur formation. The greywacke and sandstone rock of Saknidhar formation dips northerly and is overlain by phyllite of Chandpur formation. The present research incorporates the lineament density mapping using remote sensing satellite data supplemented by a detailed field study via kinematic analysis. The DEM data of ALOS PALSAR (12.5 m resolution) is resampled to 10 m resolution and used for preparing various thematic maps such as slope, aspect, drainage, hill shade, lineament, and lineament density using ARCGIS 10.6 software. Furthermore, detailed field mapping, including structural mapping, geomorphological mapping, is integrated for kinematic analysis of the slope using Dips 6.0 software of Rockscience. The kinematic analysis of 40 locations was carried out, among which 15 show the planar type of failure, five-show wedge failure, and rest, 20 show no failures. The lineament density map is overlapped with the location of the unstable slope inferred from kinematic analysis to infer the association of the field information and remote sensing derived information, and significant compatibility was observed. With the help of the present study, location-specific mitigation measures could be suggested. The mitigation measures would be helping in minimizing the probability of slope instability, especially during the rainy season, and reducing the hampering of road traffic.

Keywords: Indian Himalayan Region, kinematic analysis, lineament density mapping, slope instability

Procedia PDF Downloads 138

Authors: David Ming Liu, Benjamin Hirsch, Bashir Aden

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Syndromic surveillance is to detect or predict disease outbreaks through the analysis of medical sources of data. Using social media data like tweets to do syndromic surveillance becomes more and more popular with the aid of open platform to collect data and the advantage of microblogging text and mobile geographic location features. In this paper, a Syndromic Surveillance Framework is presented with machine learning kernel using tweets data analytics. Influenza and the three cities Abu Dhabi, Al Ain and Dubai of United Arabic Emirates are used as the test disease and trial areas. Hospital cases data provided by the Health Authority of Abu Dhabi (HAAD) are used for the correlation purpose. In our model, Latent Dirichlet allocation (LDA) engine is adapted to do supervised learning classification and N-Fold cross validation confusion matrix are given as the simulation results with overall system recall 85.595% performance achieved.

Keywords: Syndromic surveillance, Tweets, Machine Learning, data mining, Latent Dirichlet allocation (LDA), Influenza

Procedia PDF Downloads 116

Authors: Aisha Liaquat Ali, Ghulam Sarwar Gachal, Muhammad Yusuf Sheikh

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The Parrot rose ringed (Psittaculla krameri) commonly known as Tota, belongs to the order ‘Psittaciformes’ and family ‘Psittacidea’. Its sub-species inhabiting Pakistan are Psittaculla borealis. The parrot rose-ringed has been categorized the least concern species, the core aim of the present study is to investigate the ecology and taxonomy of parrot (rose-ringed). Sampling was obtained for the taxonomic identification from various adjoining areas in City Mirpurkhas by non-random method, which was conducted from Feb to June 2017. The different parameters measured with the help of a vernier caliper, foot scale, digital weighing machine. Body parameters were measured via; length of body, length of the wings, length of tail, mass in grams. During present study, a total number of 36 specimens were collected from different localities of City Mirpurkhas (38.2%) were male and (62.7%) were female. Maximum population density of Psittaculla Krameri borealis (52.9%) was collected from Sindh Horticulture Research Station (fruit farm) Mirpurkhas. Minimum no: of Psittaculla krameri borealis (5.5%) collected in urban parks. It was observed that Psittaculla krameri borealis were in dense population during the months of ‘May’ and ‘June’ when the temperature ranged between 20°C and 45°C. A Psittaculla krameri borealis female was found the heaviest in body weight. The species of parrot (rose ringed) captured during study having green plumage, coverts were gray, upper beak, red and lower beak black, shorter tail in female long tail in the male which was similar to the Psittaculla krameri borealis.

Keywords: Mirpurkhas Sindh Pakistan, environmental ecology, parrot, rose-ringed, taxonomy

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Authors: Ali Reza Vaezi, Naser Fakori Ivand, Fereshteh Azarifam

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Interrill erosion is the detachment and transfer of soil particles between the rills due to the impact of raindrops and the shear stress of shallow surface runoff. This erosion can be affected by some soil properties such as texture, amount of organic matter and stability of soil aggregates. Information on the temporal variation of interrill erosion during a rainfall event and the effect soil properties have on it can help in understanding the process of runoff production and soil loss between the rills in hillslopes. The importance of this study is especially grate in semi-arid regions, where the soil is weakly aggregated and vegetation cover is mostly poor. Therefore, this research was conducted to investigate the temporal variation of surface flow and interrill erosion and the effect of soil properties on it in some semi-arid soils. A field experiment was done in eight different soil textures under simulated rainfalls with uniform intensity. A total of twenty four plots were installed for eight study soils with three replicates in the form of a random complete block design along the land. The plots were 1.2 m (length) × 1 m (width) in dimensions which designed with a distance of 3 m from each other across the slope. Then, soil samples were purred into the plots. The plots were surrounded by a galvanized sheet, and runoff and soil erosion equipment were placed at their outlets. Rainfall simulation experiments were done using a designed portable simulator with an intensity of 60 mm per hour for 60 minutes. A plastic cover was used around the rainfall simulator frame to prevent the impact of the wind on the free fall of water drops. Runoff production and soil loss were measured during 1 hour time with 5-min intervals. In order to study soil properties, such as particle size distribution, aggregate stability, bulk density, ESP and Ks were determined in the laboratory. Correlation and regression analysis was done to determine the effect of soil properties on runoff and interrill erosion. Results indicated that the study soils have lower booth organic matter content and aggregate stability. The soils, except for coarse textured textures, are calcareous and with relatively higher exchangeable sodium percentages (ESP). Runoff production and soil loss didn’t occur in sand, which was associated with higher infiltration and drainage rates. In other study soils, interrill erosion occurred simultaneously with the generation of runoff. A strong relationship was found between interrill erosion and surface runoff (R2 = 0.75, p< 0.01). The correlation analysis showed that surface runoff was significantly affected by some soil properties consisting of sand, silt, clay, bulk density, gravel, hydraulic conductivity (Ks), lime (calcium carbonate), and ESP. The soils with lower Ks such as fine-textured soils, produced higher surface runoff and more interrill erosion. In the soils, Surface runoff production temporally increased during rainfall and finally reached a peak after about 25-35 min. Time to peak was very short (30 min) in fine-textured soils, especially clay, which was related to their lower infiltration rate.

Keywords: erosion plot, rainfall simulator, soil properties, surface flow

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Authors: Wuttikorn Chayapanja, Sutep Charoenpongpool, Manit Nithitanakul, Brian P. Grady

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Poly (trimethylene terephthalate) (PTT) is a linear aromatic polyester with good strength and stiffness, good surface appearance, low shrinkage and war page, and good dimensional stability. However, it has low impact strength which is a problem in automotive application. Thus, modification of PTT with the other polymer or polymer blending is a one way to develop a new material with excellence properties. In this study, PTT/High Density Polyethylene (HDPE) blends and PTT/Linear Low Density Polyethylene (LLDPE) blends with and without compatibilizers base on maleic anhydride grafted HDPE (MAH-g-HDPE) and ethylene-methacrylic acid neutralized sodium metal (Na-EMAA) were prepared by a twin-screw extruder. The blended samples with different ratios of polymers and compatibilizers were characterized on mechanical and rheological properties. Moreover, the phase morphology and dispersion size were studied by using SEM to give better understanding of the compatibility of the blends.

Keywords: poly trimethylene terephthalate, polyethylene, compatibilizer, polymer blend

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Authors: Avan Al-Saffar, Eun-Jin Kim

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Both the logistic growth model and the gompertz growth model are used to describe growth processes. Both models driven by perturbations in different cases are investigated using information theory as a useful measure of sustainability and the variability. Specifically, we study the effect of different oscillatory modulations in the system's parameters on the evolution of the system and Probability Density Function (PDF). We show the maintenance of the initial conditions for a long time. We offer Fisher information analysis in positive and/or negative feedback and explain its implications for the sustainability of population dynamics. We also display a finite amplitude solution due to the purely fluctuating growth rate whereas the periodic fluctuations in negative feedback can lead to break down the system's self-regulation with an exponentially growing solution. In the cases tested, the gompertz and logistic systems show similar behaviour in terms of information and sustainability although they develop differently in time.

Keywords: dynamical systems, fisher information, probability density function (pdf), sustainability

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Authors: Sallehan Ismail, Mahyuddin Ramli

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This study examined the properties of fresh and hardened concretes as influenced by the moisture state of the coarse recycled concrete aggregates (RCA) after surface treatment. Surface treatment was performed by immersing the coarse RCA in a calcium metasilicate (CM) solution. The treated coarse RCA was maintained in three controlled moisture states, namely, air-dried, oven-dried, and saturated surface-dried (SSD), prior to its use in a concrete mix. The physical properties of coarse RCA were evaluated after surface treatment during the first phase of the experiment to determine the density and the water absorption characteristics of the RCA. The second phase involved the evaluation of the slump, slump loss, density, and compressive strength of the concretes that were prepared with different proportions of natural and treated coarse RCA. Controlling the moisture state of the coarse RCA after surface treatment was found to significantly influence the properties of the fresh and hardened concretes.

Keywords: moisture state, recycled concrete aggregate, surface treatment

Procedia PDF Downloads 263

Authors: Ashok Kalagura

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This paper presents a data-mining model for fault-zone identification of flexible AC transmission systems (FACTS)-based transmission line including a thyristor-controlled series compensator (TCSC) and unified power-flow controller (UPFC), using ensemble decision trees. Given the randomness in the ensemble of decision trees stacked inside the random forests model, it provides an effective decision on the fault-zone identification. Half-cycle post-fault current and voltage samples from the fault inception are used as an input vector against target output ‘1’ for the fault after TCSC/UPFC and ‘1’ for the fault before TCSC/UPFC for fault-zone identification. The algorithm is tested on simulated fault data with wide variations in operating parameters of the power system network, including noisy environment providing a reliability measure of 99% with faster response time (3/4th cycle from fault inception). The results of the presented approach using the RF model indicate the reliable identification of the fault zone in FACTS-based transmission lines.

Keywords: distance relaying, fault-zone identification, random forests, RFs, support vector machine, SVM, thyristor-controlled series compensator, TCSC, unified power-flow controller, UPFC

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Authors: Sateesh Kumar Pisini, Swetha Priya Darshini Thammadi, Sanjay Kumar Shukla

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Granular piles are a popular ground improvement technique in soft cohesive soils as well as for loose non-cohesive soils. The present experimental study has been carried out on granular piles in loose (Relative density = 30%) and medium dense (Relative density = 60%) sands with geogrid reinforcement within the sand bed over the granular piles. A group of five piles were installed in the sand at different spacing, s = 2d, 3d and 4d, d being the diameter of the pile. The length (L = 0.4 m) and diameter (d = 50 mm) of the piles were kept constant for all the series of experiments. The load-settlement behavior of reinforced sand bed and granular piles system was studied by applying the load on a square footing. The results show that the effect of reinforcement increases the load bearing capacity of the piles. It is also found that an increase in spacing between piles decreases the settlement for both loose and medium dense soil.

Keywords: granular pile, load-carrying capacity, settlement, geogrid reinforcement, sand

Procedia PDF Downloads 391

Authors: Sorayya Malek, Mogeeb Mosleh, Sharifah M. Syed

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In this study, Support Vector Machine (SVM) technique was applied to predict the dichotomized value of Dissolved oxygen (DO) from two freshwater lakes namely Chini and Bera Lake (Malaysia). Data sample contained 11 parameters for water quality features from year 2005 until 2009. All data parameters were used to predicate the dissolved oxygen concentration which was dichotomized into 3 different levels (High, Medium, and Low). The input parameters were ranked, and forward selection method was applied to determine the optimum parameters that yield the lowest errors, and highest accuracy. Initial results showed that pH, water temperature, and conductivity are the most important parameters that significantly affect the predication of DO. Then, SVM model was applied using the Anova kernel with those parameters yielded 74% accuracy rate. We concluded that using SVM models to predicate the DO is feasible, and using dichotomized value of DO yields higher prediction accuracy than using precise DO value.

Keywords: dissolved oxygen, water quality, predication DO, support vector machine

Procedia PDF Downloads 290

Authors: Yun-Xuan Tang, Pei-Yuan Liu, Kun-Mu Lu, Min-Tsung Tseng, Liang-Kuang Chen, Yuh-Feng Tsai, Ching-Wen Lee, Jay Wu

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Breast cancer is predominant of malignant tumors in females. The increase in the glandular density increases the risk of breast cancer. BI-RADS is a frequently used density indicator in mammography; however, it significantly overestimates the glandularity. Therefore, it is very important to accurately and quantitatively assess the glandularity by mammography. In this study, 20%, 30% and 50% glandularity phantoms were exposed using a mammography machine at 28, 30 and 31 kVp, and 30, 55, 80 and 105 mAs, respectively. The regions of interest (ROIs) were drawn to assess the gray level. The relationship between the glandularity and gray level under various compression thicknesses, kVp, and mAs was established by the multivariable linear regression. A phantom verification was performed with automatic exposure control (AEC). The regression equation was obtained with an R-square value of 0.928. The average gray levels of the verification phantom were 8708, 8660 and 8434 for 0.952, 0.963 and 0.985 g/cm3, respectively. The percent differences of glandularity to the regression equation were 3.24%, 2.75% and 13.7%. We concluded that the proposed method could be clinically applied in mammography to improve the glandularity estimation and further increase the importance of breast cancer screening.

Keywords: mammography, glandularity, gray value, BI-RADS

Procedia PDF Downloads 492

Authors: Akiode Ayobami, Akiode Akinsewa, Odeku Mojisola, Salako Busola, Odutolu Omobola, Nuhu Khadija

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Purpose: Evidence exists that family planning use can contribute to reduction in infant and maternal mortality in any country. Despite these benefits, contraceptive use in Nigeria still remains very low, only 10% among married women. Understanding factors that predict contraceptive use is very important in order to improve the situation. In this paper, we analysed data from the 2013 Nigerian Demographic and Health Survey (NDHS) to better understand predictors of contraceptive use in Nigeria. The use of logistics regression and other traditional models in this type of situation is not appropriate as they do not account for social structure influence brought about by the hierarchical nature of the data on response variable. We therefore used multilevel modelling to explore the determinants of contraceptive use in order to account for the significant variation in modern contraceptive use by socio-demographic, and other proximate variables across the different Nigerian states. Method: This data has a two-level hierarchical structure. We considered the data of 26, 403 married women of reproductive age at level 1 and nested them within the 36 states and the Federal Capital Territory, Abuja at level 2. We modelled use of modern contraceptive against demographic variables, being told about FP at health facility, heard of FP on TV, Magazine or radio, husband desire for more children nested within the state. Results: Our results showed that the independent variables in the model were significant predictors of modern contraceptive use. The estimated variance component for the null model, random intercept, and random slope models were significant (p=0.00), indicating that the variation in contraceptive use across the Nigerian states is significant, and needs to be accounted for in order to accurately determine the predictors of contraceptive use, hence the data is best fitted by the multilevel model. Only being told about family planning at the health facility and religion have a significant random effect, implying that their predictability of contraceptive use varies across the states. Conclusion and Recommendation: Results showed that providing FP information at the health facility and religion needs to be considered when programming to improve contraceptive use at the state levels.

Keywords: multilevel modelling, family planning, predictors, Nigeria

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Authors: Nemi Bhattarai

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In recent years, there has been a rapid increase in the use of Unmanned Aerial Vehicle (UAVs) in search and rescue (SAR) operations, disaster management, and many more areas where information about the location of human beings are important. This research will primarily focus on the use of optical and thermal camera via UAV platform in real-time detection, localization, and visualization of human beings on GIS. This research will be beneficial in disaster management search of lost humans in wilderness or difficult terrain, detecting abnormal human behaviors in border or security tight areas, studying distribution of people at night, counting people density in crowd, manage people flow during evacuation, planning provisions in areas with high human density and many more.

Keywords: UAV, human detection, real-time, localization, visualization, haar-like, GIS, thermal sensor

Procedia PDF Downloads 465

Authors: A. A. Okeola, T. I. Sijuade

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Unreinforced concrete is a comparatively brittle substance when exposed to tensile stresses, the required tensile strength is provided by the introduction of steel which is used as reinforcement. The strength of concrete may be improved tremendously by the addition of fibre. This study focused on investigating the compressive strength of mass concrete mixed with different percentage of plastic fibre. Twelve samples of concrete cubes with varied percentage of plastic fibre at 7, 14 and 28 days of water submerged curing were tested under compression loading. The result shows that the compressive strength of plastic fibre reinforced concrete increased with rise in curing age. The strength increases for all percentage dosage of fibre used for the concrete. The density of the Plastic Fibre Reinforced Concrete (PFRC) also increases with curing age, which implies that during curing, concrete absorbs water which aids its hydration. The least compressive strength obtained with the introduction of plastic fibre is more than the targeted 20 N/mm² recommended for construction work showing that PFRC can be used where significant loading is expected.

Keywords: compressive strength, concrete, curing, density, plastic fibre

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Authors: A. Movaghar, R. A. Mahdavinejad

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To analyze the effect of various parameters of fluid on the material properties such as surface and depth defects and/or cracks, it is possible to determine the affection of pressure field on these specifications. Stress tensor analysis is also able to determine the points in which the probability of defection creation is more. Besides, from pressure field, it is possible to analyze the affection of various fluid specifications such as viscosity and density on defect created in the material. In this research, the concerned boundary conditions are analyzed first. Then the solution network and stencil used are mentioned. With the determination of relevant equation on the fluid flow between notch and matrix and their discretion according to the governed boundary conditions, these equations can be solved. Finally, with the variation creations on fluid parameters such as density and viscosity, the affection of these variations can be determined on pressure field. In this direction, the flowchart and solution algorithm with their results as vortex and current function contours for two conditions with most applications in pressing process are introduced and discussed.

Keywords: pressing, notch, matrix, flow function, vortex

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Authors: Mohamed Ayoub

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We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)).

Keywords: natural bond orbital, hydrogen bonding, electron donor, electron acceptor

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Authors: Morteza Keshavarz

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In this work, using density functional theory (DFT) thermodynamic stability and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized zigzag (8,0) CNT, armchair (4,4) CNT and nanocone complexes in water, for two attachment namely the sidewall and tip, is considered. Calculation of the total electronic energy (Et) and binding energy (Eb) of all complexes indicates that the most thermodynamic stability belongs to the sidewall-attachment of cyclophosphamide into functional nanocone. On the other hand, results from chemical hardness show that drug-functionalized zigzag (8,0) and armchair (4,4) complexes in the tip-attachment configuration possess the smallest and greatest chemical hardness, respectively. By computing the solvation energy, it is found that the solution of the drug and all complexes are spontaneous in water. Furthermore, chirality, type of nanovector (nanotube or nanocone), or attachment configuration have no effects on solvation energy of complexes.

Keywords: carbon nanotube, drug delivery, cyclophosphamide drug, density functional theory (DFT)

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Authors: Yuvraj Singh Dangi, Kamta Prasad Namdeo, Surendra Bodhake

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The purpose of this research was to develop and evaluate mucoadhesive films for buccal administration of itraconazole using film-forming and mucoashesive polymers. Buccal films of chitosan bearing Itraconazole were prepared by solvent casting technique. The films have been evaluated in terms of film weight, thickness, density, surface pH, FTIR, X-ray diffraction analysis, bioadhesion, swelling properties, and in vitro drug release studies. It was found that film formulations of 2 cm2 size having weight in the range of 204 ± 0.76 to 223 ± 2.09 mg and film thickness were in the range of 0.44 ± 0.11 to 0.57 ± 0.19 mm. Density of the films was found to be 0.102 to 0.126 g/ml. Drug content was found to be uniform in the range of 8.23 ± 0.07 to 8.73 ± 0.09 mg/cm2 for formulation A1 to A4. Maximum bioadhesion force was recorded for HPMC buccal films (A2) i.e. 0.57 ± 0.47 as compared to other films. In vitro residence time was in range of 1.7 ± 0.12 to 7.65 ± 0.15 h. The drug release studies show that formulations follow non-fickian diffusion. These mucoadhesive formulations could offer many advantages in comparison to traditional treatments.

Keywords: biovariability, buccal patches, itraconazole, Mucoadhesion

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Authors: Merve Sogancioglu, Esra Yel, Ferda Tartar, Nihan Canan Iskender

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Waste polyethylene (PE) is classified as waste low density polyethylene (LDPE) and waste high density polyethylene (HDPE) according to their densities. Pyrolysis of plastic waste may have an important role in dealing with the enormous amounts of plastic waste produced all over the world, by decreasing their negative impact on the environment. This waste may be converted into economically valuable hydrocarbons, which can be used both as fuels and as feed stock in the petrochemical industry. End product yields and properties depend on the plastic waste composition. Pyrolytic biochar is one of the most important products of waste plastics pyrolysis. In this study, HDPE and LDPE plastic wastes were co-pyrolyzed together with waste olive pomace. Pyrolysis runs were performed at temperature 700°C with heating rates of 5°C/min. Higher pyrolysis oil and gas yields were observed by the using waste olive pomace. The biochar yields of HDPE- olive pomace and LDPEolive pomace were 6.37% and 7.26% respectively for 50% olive pomace doses. The calorific value of HDPE-olive pomace and LDPE-olive pomace of pyrolysis oil were 8350 and 8495 kCal.

Keywords: biochar, co-pyrolysis, waste plastic, waste olive pomace

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Authors: M. A. Ghebouli, H. Choutri, B. Ghebouli , M. Fatmi, L. Louail

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We employed the density-functional perturbation theory (DFPT) within the generalized gradient approximation (GGA), the local density approximation (LDA) and the virtual-crystal approximation (VCA) to study the effect of composition on the structure, stability, energy gaps, electron effective mass, the dynamic effective charge, optical and acoustical phonon frequencies and static and high dielectric constants of the rock-salt CaxMg1-xSe and CaxMg1-xTe alloys. The computed equilibrium lattice constant and bulk modulus show an important deviation from the linear concentration. From the Voigt-Reuss-Hill approximation, CaxMg1-xSe and CaxMg1-xTe present lower stiffness and lateral expansion. For Ca content ranging between 0.25-0.75, the elastic constants, energy gaps, electron effective mass and dynamic effective charge are predictions. The elastic constants and computed phonon dispersion curves indicate that these alloys are mechanically stable.

Keywords: CaxMg1-xSe, CaxMg1-xTe, band structure, phonon

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Authors: Jeremie Coullon, Robert J. Webber

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We introduce a Markov chain Monte Carlo (MCMC) sam-pler for infinite-dimensional inverse problems. Our sam-pler is based on the affine invariant ensemble sampler, which uses interacting walkers to adapt to the covariance structure of the target distribution. We extend this ensem-ble sampler for the first time to infinite-dimensional func-tion spaces, yielding a highly efficient gradient-free MCMC algorithm. Because our ensemble sampler does not require gradients or posterior covariance estimates, it is simple to implement and broadly applicable. In many Bayes-ian inverse problems, Markov chain Monte Carlo (MCMC) meth-ods are needed to approximate distributions on infinite-dimensional function spaces, for example, in groundwater flow, medical imaging, and traffic flow. Yet designing efficient MCMC methods for function spaces has proved challenging. Recent gradi-ent-based MCMC methods preconditioned MCMC methods, and SMC methods have improved the computational efficiency of functional random walk. However, these samplers require gradi-ents or posterior covariance estimates that may be challenging to obtain. Calculating gradients is difficult or impossible in many high-dimensional inverse problems involving a numerical integra-tor with a black-box code base. Additionally, accurately estimating posterior covariances can require a lengthy pilot run or adaptation period. These concerns raise the question: is there a functional sampler that outperforms functional random walk without requir-ing gradients or posterior covariance estimates? To address this question, we consider a gradient-free sampler that avoids explicit covariance estimation yet adapts naturally to the covariance struc-ture of the sampled distribution. This sampler works by consider-ing an ensemble of walkers and interpolating and extrapolating between walkers to make a proposal. This is called the affine in-variant ensemble sampler (AIES), which is easy to tune, easy to parallelize, and efficient at sampling spaces of moderate dimen-sionality (less than 20). The main contribution of this work is to propose a functional ensemble sampler (FES) that combines func-tional random walk and AIES. To apply this sampler, we first cal-culate the Karhunen–Loeve (KL) expansion for the Bayesian prior distribution, assumed to be Gaussian and trace-class. Then, we use AIES to sample the posterior distribution on the low-wavenumber KL components and use the functional random walk to sample the posterior distribution on the high-wavenumber KL components. Alternating between AIES and functional random walk updates, we obtain our functional ensemble sampler that is efficient and easy to use without requiring detailed knowledge of the target dis-tribution. In past work, several authors have proposed splitting the Bayesian posterior into low-wavenumber and high-wavenumber components and then applying enhanced sampling to the low-wavenumber components. Yet compared to these other samplers, FES is unique in its simplicity and broad applicability. FES does not require any derivatives, and the need for derivative-free sam-plers has previously been emphasized. FES also eliminates the requirement for posterior covariance estimates. Lastly, FES is more efficient than other gradient-free samplers in our tests. In two nu-merical examples, we apply FES to challenging inverse problems that involve estimating a functional parameter and one or more scalar parameters. We compare the performance of functional random walk, FES, and an alternative derivative-free sampler that explicitly estimates the posterior covariance matrix. We conclude that FES is the fastest available gradient-free sampler for these challenging and multimodal test problems.

Keywords: Bayesian inverse problems, Markov chain Monte Carlo, infinite-dimensional inverse problems, dimensionality reduction

Procedia PDF Downloads 154

Authors: Haowei Chen, Kaiqi Xiong

Abstract:

This paper aims to answer how malware will propagate in Wireless Mesh Networks (WMNs) and how communication radius and distributed density of nodes affects the process of spreading. The above analysis is essential for devising network-wide strategies to counter malware. We answer these questions by developing an improved dynamical system that models malware propagation in the area where nodes were uniformly distributed. The proposed model captures both the spatial and temporal dynamics regarding the malware spreading process. Equilibrium and stability are also discussed based on the threshold of the system. If the threshold is less than one, the infected nodes disappear, and if the threshold is greater than one, the infected nodes asymptotically stabilize at the endemic equilibrium. Numerical simulations are investigated about communication radius and distributed density of nodes in WMNs, which allows us to draw various insights that can be used to guide security defense.

Keywords: Bluetooth security, malware propagation, wireless mesh networks, stability analysis

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Authors: Bachir Chemani, Halima Chemani

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The objective of this study is to investigate the effect of adding coal to obtain insulating ceramic product. The preparation of mixtures is achieved with 04 types of different masse compositions, consisting of gray and yellow clay, and coal. Analyses are performed on local raw materials by adding coal as additive. The coal content varies from 5 to 20 % in weight by varying the size of coal particles ranging from 0.25 mm to 1.60 mm. Initially, each natural moisture content of a raw material has been determined at the temperature of 105°C in a laboratory oven. The Influence of low-coal content on absorption, the apparent density, the contraction and the resistance during compression have been evaluated. The experimental results showed that the optimized composition could be obtained by adding 10% by weight of coal leading thus to insulating ceramic products with water absorption, a density and resistance to compression of 9.40 %, 1.88 g/cm3, 35.46 MPa, respectively. The results show that coal, when mixed with traditional raw materials, offers the conditions to be used as an additive in the production of lightweight ceramic products.

Keywords: clay, coal, resistance to compression, insulating bricks

Procedia PDF Downloads 329

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

Abstract:

Structural, electronic, and magnetic properties of Co and Mn-doped CdTe have been studied by employing the full potential linear augmented plane waves (FP-LAPW) method within the spin-polarized density functional theory (DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA) as exchange–correlation (XC) potential. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, spin-polarized band structures, and total and local densities of states. The value of calculated magnetic moment per Co and Mn impurity atoms is found to be 2.21 µB for CdCoTe and 3.20 µB for CdMnTe. The calculated densities of states presented in this study identify the half-metallic of Co and Mn-doped CdTe.

Keywords: electronic structure, density functional theory, band structures, half-metallic, magnetic moment

Procedia PDF Downloads 466

Authors: Bahareh Asefi, Fereidoun Farzaneh, Ghazaleh Asefi, Chang-Ping Yu

Abstract:

Increased production of food waste (FW) is a global issue that is receiving more attention due to its environmental and economic impacts. The generation of electricity from food waste, known as energy recovery, is one of the effective solutions in food waste management. Food waste has high energy content which seems ideal to achieve dual benefits in terms of energy recovery and waste stabilization. Microbial fuel cell (MFC) is a promising technology for treating food waste and generate electricity. In this work, we will review energy utilization from different kind of food waste using MFC and factors which affected the process. We have studied the key technology of energy generated from food waste using MFC to enhance the food waste management. The power density and electricity production by each kind of food waste and challenges were identified. This work explored the conversion of FW into energy from different type of food waste, which aim to provide a theoretical analysis for energy utilization of food waste.

Keywords: energy generation, food waste, microbial fuel cell, power density

Procedia PDF Downloads 229

Authors: Anjali Chouksey, Riya Nimje, Jahanvi Saraf

Abstract:

Online transactions have increased dramatically in this new ‘social-distancing’ era. With online transactions, Fraud in online payments has also increased significantly. Frauds are a significant problem in various industries like insurance companies, baking, etc. These frauds include leaking sensitive information related to the credit card, which can be easily misused. Due to the government also pushing online transactions, E-commerce is on a boom. But due to increasing frauds in online payments, these E-commerce industries are suffering a great loss of trust from their customers. These companies are finding credit card fraud to be a big problem. People have started using online payment options and thus are becoming easy targets of credit card fraud. In this research paper, we will be discussing machine learning algorithms. We have used a decision tree, XGBOOST, k-nearest neighbour, logistic-regression, random forest, and SVM on a dataset in which there are transactions done online mode using credit cards. We will test all these algorithms for detecting fraud cases using the confusion matrix, F1 score, and calculating the accuracy score for each model to identify which algorithm can be used in detecting frauds.

Keywords: machine learning, fraud detection, artificial intelligence, decision tree, k nearest neighbour, random forest, XGBOOST, logistic regression, support vector machine

Procedia PDF Downloads 148

Authors: Michael Koblischka, Yassine Slimani, Thomas Karwoth, Anjela Koblischka-Veneva, Essia Hannachi

Abstract:

On bulk FeSe superconductors containing different additions of Ag, a thorough investigation of the microstructures was performed using optical microscopy, SEM and TEM. The electrical resistivity was measured using four-point measurements in the temperature range 2 K ≤ T ≤ 150 K. The data obtained are analyzed in the framework of the excess conductivity approach using the Aslamazov-Larkin (AL) model. The investigated samples comprised of five distinct fluctuation regimes, namely short-wave (SWF), onedimensional (1D), two-dimensional (2D), three-dimensional (3D), and critical (CR) fluctuation regimes. The coherence length along the c-axis at zero-temperature (ξc(0)), the lower and upper critical magnetic fields (Bc1 and Bc2), the critical current density (Jc) and numerous other superconducting parameters were estimated with respect to the Ag content in the samples. The data reveal a reduction of the resistivity and a strong decrease of ξc(0) when doping the 11-samples with silver. The optimum content of the Ag-addition is found at 4 wt.-% Ag, yielding the highest critical current density.

Keywords: iron-based superconductors, FeSe, Ag-addition, excess conductivity, microstructure

Procedia PDF Downloads 146

Authors: Brahim Safi, Djamila Aboutaleb, Mohammed Saidi, Abdelbaki Benmounah, Fahima Benbrahim

Abstract:

The inorganic wastes are currently used in the manufacture of concretes as mineral additions by cement substitution or as fine/coarse aggregates by replacing traditional aggregates. In this respect, this study aims to valorize the mineral wastes in particular glass wastes to produce granulated foam glass (as fine aggregates). Granulated foam glasses (GFG) were prepared from the glass powder (glass cullet) and foaming agent (limestone) according to applied manufacturing of GFG (at a heat treatment 850 ° C for 20min). After, self-compacting mortars were elaborated with fine aggregate (sand) and other variant mortars with granulated foam glass at volume ratio (0, 30, 50 and 100 %). Rheological characterization tests (fluidity) and physic-mechanical (density, porosity /absorption of water and mechanical tests) were carried out on studied mortars. The results obtained show that a slightly decreasing of compressive strength of mortars having lightness very important for building construction.

Keywords: glass wastes, lightweight aggregate, mortar, fluidity, density, mechanical strength

Procedia PDF Downloads 228

Authors: Manju, Praveen Aggarwal

Abstract:

Clayey soil is considered weakest subgrade soil from civil engineering point of view under moist condition. These swelling soils attract and absorb water and losses their strength. Certain inherent properties of these clayey soils need modification for their bulk use in the construction of highways/runways pavements and embankments, etc. In this paper, results of clayey subgrade modified with cement stabilizer is presented. Investigation includes evaluation of specific gravity, Atterberg’s limits, grain size distribution, maximum dry density, optimum moisture content and CBR value of the clayey soil and cement treated clayey soil. A series of proctor compaction and CBR tests (un-soaked and soaked) are carried out on clayey soil and clayey soil mixed with cement stabilizer in 2%, 4% & 6% percentages to the dry weight of soil. In CBR test, under soaked condition best results are obtained with 6% of cement. However, the difference between the CBR value by addition of 4% and 6% cement is not much. Therefore from economical consideration addition of 4% cement gives the best result after soaking period of 90 days.

Keywords: clayey soil, cement, maximum dry density, optimum moisture content, California bearing ratio

Procedia PDF Downloads 340