Search results for: method of least square
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 19839

Search results for: method of least square

18939 Denoising of Magnetotelluric Signals by Filtering

Authors: Rodrigo Montufar-Chaveznava, Fernando Brambila-Paz, Ivette Caldelas

Abstract:

In this paper, we present the advances corresponding to the denoising processing of magnetotelluric signals using several filters. In particular, we use the most common spatial domain filters such as median and mean, but we are also using the Fourier and wavelet transform for frequency domain filtering. We employ three datasets obtained at the different sampling rate (128, 4096 and 8192 bps) and evaluate the mean square error, signal-to-noise relation, and peak signal-to-noise relation to compare the kernels and determine the most suitable for each case. The magnetotelluric signals correspond to earth exploration when water is searched. The object is to find a denoising strategy different to the one included in the commercial equipment that is employed in this task.

Keywords: denoising, filtering, magnetotelluric signals, wavelet transform

Procedia PDF Downloads 366
18938 A Comparative Case Study of the Impact of Square and Yurt-Shape Buildings on Energy Efficiency

Authors: Valeriya Tyo, Serikbolat Yessengabulov

Abstract:

Regions with extreme climate conditions such as Astana city require energy saving measures to increase the energy performance of buildings which are responsible for more than 40% of total energy consumption. Identification of optimal building geometry is one of the key factors to be considered. The architectural form of a building has the impact on space heating and cooling energy use, however, the interrelationship between the geometry and resultant energy use is not always readily apparent. This paper presents a comparative case study of two prototypical buildings with compact building shape to assess its impact on energy performance.

Keywords: building geometry, energy efficiency, heat gain, heat loss

Procedia PDF Downloads 493
18937 Time Delay Estimation Using Signal Envelopes for Synchronisation of Recordings

Authors: Sergei Aleinik, Mikhail Stolbov

Abstract:

In this work, a method of time delay estimation for dual-channel acoustic signals (speech, music, etc.) recorded under reverberant conditions is investigated. Standard methods based on cross-correlation of the signals show poor results in cases involving strong reverberation, large distances between microphones and asynchronous recordings. Under similar conditions, a method based on cross-correlation of temporal envelopes of the signals delivers a delay estimation of acceptable quality. This method and its properties are described and investigated in detail, including its limits of applicability. The method’s optimal parameter estimation and a comparison with other known methods of time delay estimation are also provided.

Keywords: cross-correlation, delay estimation, signal envelope, signal processing

Procedia PDF Downloads 473
18936 Enhancement of Primary User Detection in Cognitive Radio by Scattering Transform

Authors: A. Moawad, K. C. Yao, A. Mansour, R. Gautier

Abstract:

The detecting of an occupied frequency band is a major issue in cognitive radio systems. The detection process becomes difficult if the signal occupying the band of interest has faded amplitude due to multipath effects. These effects make it hard for an occupying user to be detected. This work mitigates the missed-detection problem in the context of cognitive radio in frequency-selective fading channel by proposing blind channel estimation method that is based on scattering transform. By initially applying conventional energy detection, the missed-detection probability is evaluated, and if it is greater than or equal to 50%, channel estimation is applied on the received signal followed by channel equalization to reduce the channel effects. In the proposed channel estimator, we modify the Morlet wavelet by using its first derivative for better frequency resolution. A mathematical description of the modified function and its frequency resolution is formulated in this work. The improved frequency resolution is required to follow the spectral variation of the channel. The channel estimation error is evaluated in the mean-square sense for different channel settings, and energy detection is applied to the equalized received signal. The simulation results show improvement in reducing the missed-detection probability as compared to the detection based on principal component analysis. This improvement is achieved at the expense of increased estimator complexity, which depends on the number of wavelet filters as related to the channel taps. Also, the detection performance shows an improvement in detection probability for low signal-to-noise scenarios over principal component analysis- based energy detection.

Keywords: channel estimation, cognitive radio, scattering transform, spectrum sensing

Procedia PDF Downloads 190
18935 Concentric Circle Detection based on Edge Pre-Classification and Extended RANSAC

Authors: Zhongjie Yu, Hancheng Yu

Abstract:

In this paper, we propose an effective method to detect concentric circles with imperfect edges. First, the gradient of edge pixel is coded and a 2-D lookup table is built to speed up normal generation. Then we take an accumulator to estimate the rough center and collect plausible edges of concentric circles through gradient and distance. Later, we take the contour-based method, which takes the contour and edge intersection, to pre-classify the edges. Finally, we use the extended RANSAC method to find all the candidate circles. The center of concentric circles is determined by the two circles with the highest concentricity. Experimental results demonstrate that the proposed method has both good performance and accuracy for the detection of concentric circles.

Keywords: concentric circle detection, gradient, contour, edge pre-classification, RANSAC

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18934 Genetic Algorithm Based Deep Learning Parameters Tuning for Robot Object Recognition and Grasping

Authors: Delowar Hossain, Genci Capi

Abstract:

This paper concerns with the problem of deep learning parameters tuning using a genetic algorithm (GA) in order to improve the performance of deep learning (DL) method. We present a GA based DL method for robot object recognition and grasping. GA is used to optimize the DL parameters in learning procedure in term of the fitness function that is good enough. After finishing the evolution process, we receive the optimal number of DL parameters. To evaluate the performance of our method, we consider the object recognition and robot grasping tasks. Experimental results show that our method is efficient for robot object recognition and grasping.

Keywords: deep learning, genetic algorithm, object recognition, robot grasping

Procedia PDF Downloads 348
18933 Pharmacokinetic Monitoring of Glimepiride and Ilaprazole in Rat Plasma by High Performance Liquid Chromatography with Diode Array Detection

Authors: Anil P. Dewani, Alok S. Tripathi, Anil V. Chandewar

Abstract:

Present manuscript reports the development and validation of a quantitative high performance liquid chromatography method for the pharmacokinetic evaluation of Glimepiride (GLM) and Ilaprazole (ILA) in rat plasma. The plasma samples were involved with Solid phase extraction process (SPE). The analytes were resolved on a Phenomenex C18 column (4.6 mm× 250 mm; 5 µm particle size) using a isocratic elution mode comprising methanol:water (80:20 % v/v) with pH of water modified to 3 using Formic acid, the total run time was 10 min at 225 nm as common wavelength, the flow rate throughout was 1ml/min. The method was validated over the concentration range from 10 to 600 ng/mL for GLM and ILA, in rat plasma. Metformin (MET) was used as Internal Standard. Validation data demonstrated the method to be selective, sensitive, accurate and precise. The limit of detection was 1.54 and 4.08 and limit of quantification was 5.15 and 13.62 for GLM and ILA respectively, the method demonstrated excellent linearity with correlation coefficients (r2) 0.999. The intra and inter-day precision (RSD%) values were < 2.0% for both ILA and GLM. The method was successfully applied in pharmacokinetic studies followed by oral administration in rats.

Keywords: pharmacokinetics, glimepiride, ilaprazole, HPLC, SPE

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18932 Computational Study of Chromatographic Behavior of a Series of S-Triazine Pesticides Based on Their in Silico Biological and Lipophilicity Descriptors

Authors: Lidija R. Jevrić, Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević

Abstract:

In this paper, quantitative structure-retention relationships (QSRR) analysis was applied in order to correlate in silico biological and lipophilicity molecular descriptors with retention values for the set of selected s-triazine herbicides. In silico generated biological and lipophilicity descriptors were discriminated using generalized pair correlation method (GPCM). According to this method, the significant difference between independent variables can be noticed regardless almost equal correlation with dependent variable. Using established multiple linear regression (MLR) models some biological characteristics could be predicted. Established MLR models were evaluated statistically and the most suitable models were selected and ranked using sum of ranking differences (SRD) method. In this method, as reference values, average experimentally obtained values are used. Additionally, using SRD method, similarities among investigated s-triazine herbicides can be noticed. These analysis were conducted in order to characterize selected s-triazine herbicides for future investigations regarding their biodegradability. This study is financially supported by COST action TD1305.

Keywords: descriptors, generalized pair correlation method, pesticides, sum of ranking differences

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18931 Spectral Analysis Approaches for Simultaneous Determination of Binary Mixtures with Overlapping Spectra: An Application on Pseudoephedrine Sulphate and Loratadine

Authors: Sara El-Hanboushy, Hayam Lotfy, Yasmin Fayez, Engy Shokry, Mohammed Abdelkawy

Abstract:

Simple, specific, accurate and precise spectrophotometric methods are developed and validated for simultaneous determination of pseudoephedrine sulphate (PSE) and loratadine (LOR) in combined dosage form based on spectral analysis technique. Pseudoephedrine (PSE) in binary mixture could be analyzed either by using its resolved zero order absorption spectrum at its λ max 256.8 nm after subtraction of LOR spectrum or in presence of LOR spectrum by absorption correction method at 256.8 nm, dual wavelength (DWL) method at 254nm and 273nm, induced dual wavelength (IDWL) method at 256nm and 272nm and ratio difference (RD) method at 256nm and 262 nm. Loratadine (LOR) in the mixture could be analyzed directly at 280nm without any interference of PSE spectrum or at 250 nm using its recovered zero order absorption spectrum using constant multiplication(CM).In addition, simultaneous determination for PSE and LOR in their mixture could be applied by induced amplitude modulation method (IAM) coupled with amplitude multiplication (PM).

Keywords: dual wavelength (DW), induced amplitude modulation method (IAM) coupled with amplitude multiplication (PM), loratadine, pseudoephedrine sulphate, ratio difference (RD)

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18930 Collocation Method for Coupled System of Boundary Value Problems with Cubic B-Splines

Authors: K. N. S. Kasi Viswanadham

Abstract:

Coupled system of second order linear and nonlinear boundary value problems occur in various fields of Science and Engineering. In the formulation of the problem, any one of 81 possible types of boundary conditions may occur. These 81 possible boundary conditions are written as a combination of four boundary conditions. To solve a coupled system of boundary value problem with these converted boundary conditions, a collocation method with cubic B-splines as basis functions has been developed. In the collocation method, the mesh points of the space variable domain have been selected as the collocation points. The basis functions have been redefined into a new set of basis functions which in number match with the number of mesh points in the space variable domain. The solution of a non-linear boundary value problem has been obtained as the limit of a sequence of solutions of linear boundary value problems generated by quasilinearization technique. Several linear and nonlinear boundary value problems are presented to test the efficiency of the proposed method and found that numerical results obtained by the present method are in good agreement with the exact solutions available in the literature.

Keywords: collocation method, coupled system, cubic b-splines, mesh points

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18929 Traditional Dyeing of Silk with Natural Dyes by Eco-Friendly Method

Authors: Samera Salimpour Abkenar

Abstract:

In traditional dyeing of natural fibers with natural dyes, metal salts are commonly used to increase color stability. This method always carries the risk of environmental pollution (contamination of arable soils and fresh groundwater) due to the release of dyeing effluents containing large amounts of metal. Therefore, researchers are always looking for new methods to obtain a green dyeing system. In this research, the use of the enzymatic dyeing method to prevent environmental pollution with metals and reduce production costs has been proposed. After degumming and bleaching, raw silk fabrics were dyed with natural dyes (Madder and Sumac) by three methods (pre-mordanting with a metal salt, one-step enzymatic dyeing, and two-step enzymatic dyeing). Results show that silk dyed with natural dyes by the enzymatic method has higher color strength and colorfastness than the pretreated with a metal salt. Also, the amount of remained dyes in the dyeing wastewater is significantly reduced by the enzymatic method. It is found that the enzymatic dyeing method leads to improvement of dye absorption, color strength, soft hand, no change in color shade, low production costs (due to low dyeing temperature), and a significant reduction in environmental pollution.

Keywords: eco-friendly, natural dyes, silk, traditional dyeing

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18928 The Correlation between Governance Mechanism and Changing Trends in the Ownership of Mongolian Companies

Authors: Ernest Nweke

Abstract:

This paper examines the changing trend in ownership of Mongolian companies and how this trend has influenced corporate governance mechanisms in Mongolian companies. A study of this magnitude is essential as it x-rays the systematic transformation of Mongolia’s corporate world from the public to private ownership and the tremendous impact it has had on firm governance mechanisms. Owing to Mongolia’s Soviet past, much of the companies in Mongolia were state-owned, state-directed and state-controlled resulting in serious inefficiencies in these companies. This scenario is antithetical to the economic growth and development of any nation as it is grossly at variance with the fundamental principles of good corporate governance that drive prosperity. Consequently, the Mongolian government has in the past decades fine-tuned government policy to prioritize private ownership, establishing various frameworks that will strengthen corporate governance structures in Mongolia. These efforts have paid off and gone a long way in changing the trend in the ownership of companies in Mongolia reversing the old order. The expectation locally and internationally is that companies in post-socialist Mongolia will be more closely aligned to generally accepted corporate governance mechanisms, generally improving company performance and ultimately returns to shareholders. To achieve the research objectives, the survey research method was employed utilizing a sample of seventy randomly selected listed companies representing 22% of Mongolian Stock Exchange listings. Research hypotheses formulated to guide the conduct of the study were tested using Chi-Square analysis, and results show that ownership trend has drastically changed in the post-socialist Mongolia leading to better corporate governance practices in Mongolian companies. This result has important policy implications.

Keywords: corporate disclosure, free market, private ownership, Mongolia

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18927 Fault Location Identification in High Voltage Transmission Lines

Authors: Khaled M. El Naggar

Abstract:

This paper introduces a digital method for fault section identification in transmission lines. The method uses digital set of the measured short circuit current to locate faults in electrical power systems. The digitized current is used to construct a set of overdetermined system of equations. The problem is then constructed and solved using the proposed digital optimization technique to find the fault distance. The proposed optimization methodology is an application of simulated annealing optimization technique. The method is tested using practical case study to evaluate the proposed method. The accurate results obtained show that the algorithm can be used as a powerful tool in the area of power system protection.

Keywords: optimization, estimation, faults, measurement, high voltage, simulated annealing

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18926 Simultaneous Detection of Cd⁺², Fe⁺², Co⁺², and Pb⁺² Heavy Metal Ions by Stripping Voltammetry Using Polyvinyl Chloride Modified Glassy Carbon Electrode

Authors: Sai Snehitha Yadavalli, K. Sruthi, Swati Ghosh Acharyya

Abstract:

Heavy metal ions are toxic to humans and all living species when exposed in large quantities or for long durations. Though Fe acts as a nutrient, when intake is in large quantities, it becomes toxic. These toxic heavy metal ions, when consumed through water, will cause many disorders and are harmful to all flora and fauna through biomagnification. Specifically, humans are prone to innumerable diseases ranging from skin to gastrointestinal, neurological, etc. In higher quantities, they even cause cancer in humans. Detection of these toxic heavy metal ions in water is thus important. Traditionally, the detection of heavy metal ions in water has been done by techniques like Inductively Coupled Plasma Mass Spectroscopy (ICPMS) and Atomic Absorption Spectroscopy (AAS). Though these methods offer accurate quantitative analysis, they require expensive equipment and cannot be used for on-site measurements. Anodic Stripping Voltammetry is a good alternative as the equipment is affordable, and measurements can be made at the river basins or lakes. In the current study, Square Wave Anodic Stripping Voltammetry (SWASV) was used to detect the heavy metal ions in water. Literature reports various electrodes on which deposition of heavy metal ions was carried out like Bismuth, Polymers, etc. The working electrode used in this study is a polyvinyl chloride (PVC) modified glassy carbon electrode (GCE). Ag/AgCl reference electrode and Platinum counter electrode were used. Biologic Potentiostat SP 300 was used for conducting the experiments. Through this work of simultaneous detection, four heavy metal ions were successfully detected at a time. The influence of modifying GCE with PVC was studied in comparison with unmodified GCE. The simultaneous detection of Cd⁺², Fe⁺², Co⁺², Pb⁺² heavy metal ions was done using PVC modified GCE by drop casting 1 wt.% of PVC dissolved in Tetra Hydro Furan (THF) solvent onto GCE. The concentration of all heavy metal ions was 0.2 mg/L, as shown in the figure. The scan rate was 0.1 V/s. Detection parameters like pH, scan rate, temperature, time of deposition, etc., were optimized. It was clearly understood that PVC helped in increasing the sensitivity and selectivity of detection as the current values are higher for PVC-modified GCE compared to unmodified GCE. The peaks were well defined when PVC-modified GCE was used.

Keywords: cadmium, cobalt, electrochemical sensing, glassy carbon electrodes, heavy metal Ions, Iron, lead, polyvinyl chloride, potentiostat, square wave anodic stripping voltammetry

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18925 Finite Element Analysis of the Drive Shaft and Jacking Frame Interaction in Micro-Tunneling Method: Case Study of Tehran Sewerage

Authors: B. Mohammadi, A. Riazati, P. Soltan Sanjari, S. Azimbeik

Abstract:

The ever-increasing development of civic demands on one hand; and the urban constrains for newly establish of infrastructures, on the other hand, perforce the engineering committees to apply non-conflicting methods in order to optimize the results. One of these optimized procedures to establish the main sewerage networks is the pipe jacking and micro-tunneling method. The raw information and researches are based on the experiments of the slurry micro-tunneling project of the Tehran main sewerage network that it has executed by the KAYSON co. The 4985 meters route of the mentioned project that is located nearby the Azadi square and the most vital arteries of Tehran is faced to 45% physical progress nowadays. The boring machine is made by the Herrenknecht and the diameter of the using concrete-polymer pipes are 1600 and 1800 millimeters. Placing and excavating several shafts on the ground and direct Tunnel boring between the axes of issued shafts is one of the requirements of the micro-tunneling. Considering the stream of the ground located shafts should care the hydraulic circumstances, civic conditions, site geography, traffic cautions and etc. The profile length has to convert to many shortened segment lines so the generated angle between the segments will be based in the manhole centers. Each segment line between two continues drive and receive the shaft, displays the jack location, driving angle and the path straight, thus, the diversity of issued angle causes the variety of jack positioning in the shaft. The jacking frame fixing conditions and it's associated dynamic load direction produces various patterns of Stress and Strain distribution and creating fatigues in the shaft wall and the soil surrounded the shaft. This pattern diversification makes the shaft wall transformed, unbalanced subsidence and alteration in the pipe jacking Stress Contour. This research is based on experiments of the Tehran's west sewerage plan and the numerical analysis the interaction of the soil around the shaft, shaft walls and the Jacking frame direction and finally, the suitable or unsuitable location of the pipe jacking shaft will be determined.

Keywords: underground structure, micro-tunneling, fatigue analysis, dynamic-soil–structure interaction, underground water, finite element analysis

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18924 Novel Microstrip MIMO Antenna for 3G/4G Applications

Authors: Sandro Samir Nasief, Hussein Hamed Ghouz, Mohamed Fathy

Abstract:

A compact ultra-wide band micro-strip MIMO antenna is introduced. The antenna consists of two elements each of size 24X24 mm2 (square millimetre) while the total MIMO size is 58X24 mm2 after the spacing between MIMO elements and adding a decouple circuit. The first one covers from 3.29 to 6.9 GHZ using digital ground and the second antenna covers from 8.76 to 13.27 GHZ using defective ground. This type of antenna is used for 3G and 4G applications. The introduction for the antenna structure and the parametric study (reflection coefficients, gain, coupling and decoupling) will be introduced.

Keywords: micro-strip antenna, MIMO, digital ground, defective ground, decouple circuit, bandwidth

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18923 Robust Adaptation to Background Noise in Multichannel C-OTDR Monitoring Systems

Authors: Andrey V. Timofeev, Viktor M. Denisov

Abstract:

A robust sequential nonparametric method is proposed for adaptation to background noise parameters for real-time. The distribution of background noise was modelled like to Huber contamination mixture. The method is designed to operate as an adaptation-unit, which is included inside a detection subsystem of an integrated multichannel monitoring system. The proposed method guarantees the given size of a nonasymptotic confidence set for noise parameters. Properties of the suggested method are rigorously proved. The proposed algorithm has been successfully tested in real conditions of a functioning C-OTDR monitoring system, which was designed to monitor railways.

Keywords: guaranteed estimation, multichannel monitoring systems, non-asymptotic confidence set, contamination mixture

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18922 On the Bootstrap P-Value Method in Identifying out of Control Signals in Multivariate Control Chart

Authors: O. Ikpotokin

Abstract:

In any production process, every product is aimed to attain a certain standard, but the presence of assignable cause of variability affects our process, thereby leading to low quality of product. The ability to identify and remove this type of variability reduces its overall effect, thereby improving the quality of the product. In case of a univariate control chart signal, it is easy to detect the problem and give a solution since it is related to a single quality characteristic. However, the problems involved in the use of multivariate control chart are the violation of multivariate normal assumption and the difficulty in identifying the quality characteristic(s) that resulted in the out of control signals. The purpose of this paper is to examine the use of non-parametric control chart (the bootstrap approach) for obtaining control limit to overcome the problem of multivariate distributional assumption and the p-value method for detecting out of control signals. Results from a performance study show that the proposed bootstrap method enables the setting of control limit that can enhance the detection of out of control signals when compared, while the p-value method also enhanced in identifying out of control variables.

Keywords: bootstrap control limit, p-value method, out-of-control signals, p-value, quality characteristics

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18921 Method of Visual Prosthesis Design Based on Biologically Inspired Design

Authors: Shen Jian, Hu Jie, Zhu Guo Niu, Peng Ying Hong

Abstract:

There are two issues exited in the traditional visual prosthesis: lacking systematic method and the low level of humanization. To tackcle those obstacles, a visual prosthesis design method based on biologically inspired design is proposed. Firstly, a constrained FBS knowledge cell model is applied to construct the functional model of visual prosthesis in biological field. Then the clustering results of engineering domain are ob-tained with the use of the cross-domain knowledge cell clustering algorithm. Finally, a prototype system is designed to support the bio-logically inspired design where the conflict is digested by TRIZ and other tools, and the validity of the method is verified by the solution scheme

Keywords: knowledge-based engineering, visual prosthesis, biologically inspired design, biomedical engineering

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18920 Method Validation for Determining Platinum and Palladium in Catalysts Using Inductively Coupled Plasma Optical Emission Spectrometry

Authors: Marin Senila, Oana Cadar, Thorsten Janisch, Patrick Lacroix-Desmazes

Abstract:

The study presents the analytical capability and validation of a method based on microwave-assisted acid digestion for quantitative determination of platinum and palladium in catalysts using inductively coupled plasma optical emission spectrometry (ICP-OES). In order to validate the method, the main figures of merit such as limit of detection and limit of quantification, precision and accuracy were considered and the measurement uncertainty was estimated based on the bottom-up approach according to the international guidelines of ISO/IEC 17025. Limit of detections, estimated from blank signal using 3 s criterion, were 3.0 mg/kg for Pt and respectively 3.6 mg/kg for Pd, while limits of quantification were 9.0 mg/kg for Pt and respectively 10.8 mg/kg for Pd. Precisions, evaluated as standard deviations of repeatability (n=5 parallel samples), were less than 10% for both precious metals. Accuracies of the method, verified by recovery estimation certified reference material NIST SRM 2557 - pulverized recycled monolith, were 99.4 % for Pt and 101% for Pd. The obtained limit of quantifications and accuracy were satisfactory for the intended purpose. The paper offers all the steps necessary to validate the determination method for Pt and Pd in catalysts using inductively coupled plasma optical emission spectrometry.

Keywords: catalyst analysis, ICP-OES, method validation, platinum, palladium

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18919 Preservation of Coconut Toddy Sediments as a Leavening Agent for Bakery Products

Authors: B. R. Madushan, S. B. Navaratne, I. Wickramasinge

Abstract:

Toddy sediment (TS) was cultured in a PDA medium to determine initial yeast load, and also it was undergone sun, shade, solar, dehumidified cold air (DCA) and hot air oven (at 400, 500 and 60oC) drying with a view to preserve viability of yeast. Thereafter, this study was conducted according to two factor factorial design in order to determine best preservation method. Therein the dried TS from the best drying method was taken and divided into two portions. One portion was mixed with 3: 7 ratio of TS: rice flour and the mixture was divided in to two again. While one portion was kept under in house condition the other was in a refrigerator. Same procedure was followed to the rest portion of TS too but it was at the same ratio of corn flour. All treatments were vacuum packed in triple laminate pouches and the best preservation method was determined in terms of leavening index (LI). The TS obtained from the best preservation method was used to make foods (bread and hopper) and organoleptic properties of it were evaluated against same of ordinary foods using sensory panel with a five point hedonic scale. Results revealed that yeast load or fresh TS was 58×106 CFU/g. The best drying method in preserving viability of yeast was DCA because LI of this treatment (96%) is higher than that of other three treatments. Organoleptic properties of foods prepared from best preservation method are as same as ordinary foods according to Duo trio test.

Keywords: biological leavening agent, coconut toddy, fermentation, yeast

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18918 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study

Authors: Ankur Chaudhuri, Sibani Sen Chakraborty

Abstract:

In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.

Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation

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18917 The Application of the Analytic Basis Function Expansion Triangular-z Nodal Method for Neutron Diffusion Calculation

Authors: Kunpeng Wang, Hongchun, Wu, Liangzhi Cao, Chuanqi Zhao

Abstract:

The distributions of homogeneous neutron flux within a node were expanded into a set of analytic basis functions which satisfy the diffusion equation at any point in a triangular-z node for each energy group, and nodes were coupled with each other with both the zero- and first-order partial neutron current moments across all the interfaces of the triangular prism at the same time. Based this method, a code TABFEN has been developed and applied to solve the neutron diffusion equation in a complicated geometry. In addition, after a series of numerical derivation, one can get the neutron adjoint diffusion equations in matrix form which is the same with the neutron diffusion equation; therefore, it can be solved by TABFEN, and the low-high scan strategy is adopted to improve the efficiency. Four benchmark problems are tested by this method to verify its feasibility, the results show good agreement with the references which demonstrates the efficiency and feasibility of this method.

Keywords: analytic basis function expansion method, arbitrary triangular-z node, adjoint neutron flux, complicated geometry

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18916 Shoring System Selection for Deep Excavation

Authors: Faouzi Ahtchi-Ali, Marcus Vitiello

Abstract:

A study was conducted in the east region of the Middle East to assess the constructability of a shoring system for a 12-meter deep excavation. Several shoring systems were considered in this study including secant concrete piling, contiguous concrete piling, and sheet-piling. The excavation was carried out in a very dense sand with the groundwater level located at 3 meters below ground surface. The study included conducting a pilot test for each shoring system listed above. The secant concrete piling included overlapping concrete piles to a depth of 16 meters. Drilling method with full steel casing was utilized to install the concrete piles. The verticality of the piles was a concern for the overlap. The contiguous concrete piling required the installation of micro-piles to seal the gap between the concrete piles. This method revealed that the gap between the piles was not fully sealed as observed by the groundwater penetration to the excavation. The sheet-piling method required pre-drilling due to the high blow count of the penetrated layer of saturated sand. This study concluded that the sheet-piling method with pre-drilling was the most cost effective and recommended a method for the shoring system.

Keywords: excavation, shoring system, middle east, Drilling method

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18915 WiFi Data Offloading: Bundling Method in a Canvas Business Model

Authors: Majid Mokhtarnia, Alireza Amini

Abstract:

Mobile operators deal with increasing in the data traffic as a critical issue. As a result, a vital responsibility of the operators is to deal with such a trend in order to create added values. This paper addresses a bundling method in a Canvas business model in a WiFi Data Offloading (WDO) strategy by which some elements of the model may be affected. In the proposed method, it is supposed to sell a number of data packages for subscribers in which there are some packages with a free given volume of data-offloaded WiFi complimentary. The paper on hands analyses this method in the views of attractiveness and profitability. The results demonstrate that the quality of implementation of the WDO strongly affects the final result and helps the decision maker to make the best one.

Keywords: bundling, canvas business model, telecommunication, WiFi data offloading

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18914 Corporate Governance and Bank Performance: A Study of Selected Deposit Money Banks in Nigeria

Authors: Ayodele Ajayi, John Ajayi

Abstract:

This paper investigates the effect of corporate governance with a view to determining the relationship between board size and bank performance. Data for the study were obtained from the audited financial statements of five sampled banks listed on the Nigerian Stock Exchange. Panel data technique was adopted and analysis was carried out with the use of multiple regression and pooled ordinary least square. Results from the study show that the larger the board size, the greater the profit implying that corporate governance is positively correlated with bank performance.

Keywords: corporate governance, banks performance, board size, pooled data

Procedia PDF Downloads 352
18913 Trend Analysis of Annual Total Precipitation Data in Konya

Authors: Naci Büyükkaracığan

Abstract:

Hydroclimatic observation values ​​are used in the planning of the project of water resources. Climate variables are the first of the values ​​used in planning projects. At the same time, the climate system is a complex and interactive system involving the atmosphere, land surfaces, snow and bubbles, the oceans and other water structures. The amount and distribution of precipitation, which is an important climate parameter, is a limiting environmental factor for dispersed living things. Trend analysis is applied to the detection of the presence of a pattern or trend in the data set. Many trends work in different parts of the world are usually made for the determination of climate change. The detection and attribution of past trends and variability in climatic variables is essential for explaining potential future alteration resulting from anthropogenic activities. Parametric and non-parametric tests are used for determining the trends in climatic variables. In this study, trend tests were applied to annual total precipitation data obtained in period of 1972 and 2012, in the Konya Basin. Non-parametric trend tests, (Sen’s T, Spearman’s Rho, Mann-Kendal, Sen’s T trend, Wald-Wolfowitz) and parametric test (mean square) were applied to annual total precipitations of 15 stations for trend analysis. The linear slopes (change per unit time) of trends are calculated by using a non-parametric estimator developed by Sen. The beginning of trends is determined by using the Mann-Kendall rank correlation test. In addition, homogeneities in precipitation trends are tested by using a method developed by Van Belle and Hughes. As a result of tests, negative linear slopes were found in annual total precipitations in Konya.

Keywords: trend analysis, precipitation, hydroclimatology, Konya

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18912 Research of Applicable Ground Reinforcement Method in Double-Deck Tunnel Junction

Authors: SKhan Park, Seok Jin Lee, Jong Sun Kim, Jun Ho Lee, Bong Chan Kim

Abstract:

Because of the large economic losses caused by traffic congestion in metropolitan areas, various studies on the underground network design and construction techniques has been performed various studies in the developed countries. In Korea, it has performed a study to develop a versatile double-deck of deep tunnel model. This paper is an introduction to develop a ground reinforcement method to enable the safe tunnel construction in the weakened pillar section like as junction of tunnel. Applicable ground reinforcement method in the weakened section is proposed and it is expected to verify the method by the field application tests.

Keywords: double-deck tunnel, ground reinforcement, tunnel construction, weakened pillar section

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18911 Prediction of the Thermal Parameters of a High-Temperature Metallurgical Reactor Using Inverse Heat Transfer

Authors: Mohamed Hafid, Marcel Lacroix

Abstract:

This study presents an inverse analysis for predicting the thermal conductivities and the heat flux of a high-temperature metallurgical reactor simultaneously. Once these thermal parameters are predicted, the time-varying thickness of the protective phase-change bank that covers the inside surface of the brick walls of a metallurgical reactor can be calculated. The enthalpy method is used to solve the melting/solidification process of the protective bank. The inverse model rests on the Levenberg-Marquardt Method (LMM) combined with the Broyden method (BM). A statistical analysis for the thermal parameter estimation is carried out. The effect of the position of the temperature sensors, total number of measurements and measurement noise on the accuracy of inverse predictions is investigated. Recommendations are made concerning the location of temperature sensors.

Keywords: inverse heat transfer, phase change, metallurgical reactor, Levenberg–Marquardt method, Broyden method, bank thickness

Procedia PDF Downloads 328
18910 Investigation of Enhancement of Heat Transfer in Natural Convection Utilizing of Nanofluids

Authors: S. Etaig, R. Hasan, N. Perera

Abstract:

This paper analyses the heat transfer performance and fluid flow using different nanofluids in a square enclosure. The energy equation and Navier-Stokes equation are solved numerically using finite volume scheme. The effect of volume fraction concentration on the enhancement of heat transfer has been studied icorporating the Brownian motion; the influence of effective thermal conductivity on the enhancement was also investigated for a range of volume fraction concentration. The velocity profile for different Rayleigh number. Water-Cu, water AL2O3 and water-TiO2 were tested.

Keywords: computational fluid dynamics, natural convection, nanofluid and thermal conductivity

Procedia PDF Downloads 420