Search results for: minimum weight

Authors: Burçin Saltık, Levent Genç

Abstract:

In this study, it was aimed to determine a route for identification of rice cultivation areas within Thrace and Marmara regions of Turkey using remote sensing and GIS. Landsat 8 (OLI-TIRS) imageries acquired in production season of 2013 with 181/32 Path/Row number were used. Four different seasonal images were generated utilizing original bands and different transformation techniques. All images were classified individually using supervised classification techniques and Land Use Land Cover Maps (LULC) were generated with 8 classes. Areas (ha, %) of each classes were calculated. In addition, district-based rice distribution maps were developed and results of these maps were compared with Turkish Statistical Institute (TurkSTAT; TSI)’s actual rice cultivation area records. Accuracy assessments were conducted, and most accurate map was selected depending on accuracy assessment and coherency with TSI results. Additionally, rice areas on over 4° slope values were considered as mis-classified pixels and they eliminated using slope map and GIS tools. Finally, randomized rice zones were selected to obtain maximum-minimum value ranges of each date (May, June, July, August, September images separately) NDVI, LSWI, and LST images to test whether they may be used for rice area determination via raster calculator tool of ArcGIS. The most accurate classification for rice determination was obtained from seasonal LSWI LULC map, and considering TSI data and accuracy assessment results and mis-classified pixels were eliminated from this map. According to results, 83151.5 ha of rice areas exist within study area. However, this result is higher than TSI records with an area of 12702.3 ha. Use of maximum-minimum range of rice area NDVI, LSWI, and LST was tested in Meric district. It was seen that using the value ranges obtained from July imagery, gave the closest results to TSI records, and the difference was only 206.4 ha. This difference is normal due to relatively low resolution of images. Thus, employment of images with higher spectral, spatial, temporal and radiometric resolutions may provide more reliable results.

Keywords: Landsat 8 (OLI-TIRS), LULC, spectral indices, rice.

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Authors: Inom S. Normatov, Abulqosim Muminov, Parviz I. Normatov

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Problems of food security and the preservation of reserved zones in the region of Central Asia under the conditions of the climate change induced by the placement and construction of large reservoirs are considered. The criteria for the optimum placement and construction of reservoirs that entail the minimum impact on the environment are established. The need for the accounting of climatic parameters is shown by the calculation of the water quantity required for the irrigation of agricultural lands.

Keywords: Reservoir, Central Asia, food, reserved zones, adaptation, agriculture.

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Authors: Sabah S. Al-Fedaghi

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The technique of k-anonymization has been proposed to obfuscate private data through associating it with at least k identities. This paper investigates the basic tabular structures that underline the notion of k-anonymization using cell suppression. These structures are studied under idealized conditions to identify the essential features of the k-anonymization notion. We optimize data kanonymization through requiring a minimum number of anonymized values that are balanced over all columns and rows. We study the relationship between the sizes of the anonymized tables, the value k, and the number of attributes. This study has a theoretical value through contributing to develop a mathematical foundation of the kanonymization concept. Its practical significance is still to be investigated.

Keywords: Balanced tables, k-anonymization, private data

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Authors: Marjan Mahdavi-Roshan, Arsalan Salari, Mahbobeh Gholipour

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Hypertension is one of the important reasons of morbidity and mortality in countries, including Iran. It has been shown that hypertension is a consequence of the interaction of genetics and environment. Nutrients have important roles in the controlling of blood pressure. We assessed dietary habit and anthropometric status in patients with hypertension in the north of Iran, and that have special dietary habit and according to their culture. This study was conducted on 127 patients with newly recognized hypertension and the 120 normotensive participants. Anthropometric status was measured and demographic characteristics, and medical condition were collected by valid questionnaires and dietary habit assessment was assessed with 3-day food recall (two weekdays and one weekend). The mean age of participants was 58 ± 6.7 years. The mean level of energy intake, saturated fat, vitamin D, potassium, zinc, dietary fiber, vitamin C, calcium, phosphorus, copper and magnesium was significantly lower in the hypertensive group compared to the control (p < 0.05). After adjusting for energy intake, positive association was observe between hypertension and some dietary nutrients including; Cholesterol [OR: 1.1, P: 0.001, B: 0.06], fiber [OR: 1.6, P: 0.001, B: 1.8], vitamin D [OR: 2.6, P: 0.006, B: 0.9] and zinc [OR: 1.4, P: 0.006, B: 0.3] intake. Logistic regression analysis showed that there was not significant association between hypertension, weight and waist circumference. In our study, the mean intake of some nutrients was lower in the hypertensive individuals compared to the normotensive individual. Health training about suitable dietary habits and easier access to vitamin D supplementation in patients with hypertension are cost-effective tools to improve outcomes in Iran.

Keywords: Hypertension, dietary intake, weight, waist circumference, North of Iran.

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Authors: M. Saleh, H. Bevrani

Abstract:

This paper quantifies the impact of providing a shortterm excess active power support of a variable speed wind turbine (VSWT) and effect of super magnetic energy storage (SMES) unit on frequency control, particularly temporary minimum frequency (TMF) term. To demonstrate the effect of these factors on the power system frequency, a three-area power system is considered as a test system.

Keywords: Frequency regulation, inertia, primary frequencycontrol, rotational energy, variable speed wind turbine.

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Authors: Hemanth KumarA.R, Sudhakara G., Satyanarayana B.S.

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The Cluster Dimension of a network is defined as, which is the minimum cardinality of a subset S of the set of nodes having the property that for any two distinct nodes x and y, there exist the node Si, s2 (need not be distinct) in S such that ld(x,s1) — d(y, s1)1 > 1 and d(x,s2) < d(x,$) for all s E S — {s2}. In this paper, strictly non overlap¬ping clusters are constructed. The concept of LandMarks for Unique Addressing and Clustering (LMUAC) routing scheme is developed. With the help of LMUAC routing scheme, It is shown that path length (upper bound)PLN,d < PLD, Maximum memory space requirement for the networkMSLmuAc(Az) < MSEmuAc < MSH3L < MSric and Maximum Link utilization factor MLLMUAC(i=3) < MLLMUAC(z03) < M Lc

Keywords: Metric dimension, Cluster dimension, Cluster.

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Authors: Christoph Mayer, Dominik Holzmann

Abstract:

This paper presents the development of a compact, portable and easy to handle solar cell characterization device. The presented device reduces the effort and cost of single solar cell characterization to a minimum. It enables realistic characterization of cells under sunlight within minutes. In the field of photovoltaic research the common way to characterize a single solar cell or a module is, to measure the current voltage curve. With this characteristic the performance and the degradation rate can be defined which are important for the consumer or developer. The paper consists of the system design description, a summary of the measurement results and an outline for further developments.

Keywords: Solar cell, photovoltaics, PV, characterization.

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Authors: Appanah Rao Appadu, Muhammad Zaid Dauhoo

Abstract:

In this paper, we have combined some spatial derivatives with the optimised time derivative proposed by Tam and Webb in order to approximate the linear advection equation which is given by = 0. Ôêé Ôêé + Ôêé Ôêé x f t u These spatial derivatives are as follows: a standard 7-point 6 th -order central difference scheme (ST7), a standard 9-point 8 th -order central difference scheme (ST9) and optimised schemes designed by Tam and Webb, Lockard et al., Zingg et al., Zhuang and Chen, Bogey and Bailly. Thus, these seven different spatial derivatives have been coupled with the optimised time derivative to obtain seven different finite-difference schemes to approximate the linear advection equation. We have analysed the variation of the modified wavenumber and group velocity, both with respect to the exact wavenumber for each spatial derivative. The problems considered are the 1-D propagation of a Boxcar function, propagation of an initial disturbance consisting of a sine and Gaussian function and the propagation of a Gaussian profile. It is known that the choice of the cfl number affects the quality of results in terms of dissipation and dispersion characteristics. Based on the numerical experiments solved and numerical methods used to approximate the linear advection equation, it is observed in this work, that the quality of results is dependent on the choice of the cfl number, even for optimised numerical methods. The errors from the numerical results have been quantified into dispersion and dissipation using a technique devised by Takacs. Also, the quantity, Exponential Error for Low Dispersion and Low Dissipation, eeldld has been computed from the numerical results. Moreover, based on this work, it has been found that when the quantity, eeldld can be used as a measure of the total error. In particular, the total error is a minimum when the eeldld is a minimum.

Keywords: Optimised time derivative, dissipation, dispersion, cfl number, Nomenclature: k : time step, h : spatial step, β :advection velocity, r: cfl/Courant number, hkrβ= , w =θ, h : exact wave number, n :time level, RPE : Relative phase error per unit time step, AFM :modulus of amplification factor

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Authors: Tudor Barbu

Abstract:

We provide a supervised speech-independent voice recognition technique in this paper. In the feature extraction stage we propose a mel-cepstral based approach. Our feature vector classification method uses a special nonlinear metric, derived from the Hausdorff distance for sets, and a minimum mean distance classifier.

Keywords: Text-independent speaker recognition, mel cepstral analysis, speech feature vector, Hausdorff-based metric, supervised classification.

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Authors: K. Ratan Singh, P. K. Das

Abstract:

An induced acyclic graphoidal cover of a graph G is a collection ψ of open paths in G such that every path in ψ has atleast two vertices, every vertex of G is an internal vertex of at most one path in ψ, every edge of G is in exactly one path in ψ and every member of ψ is an induced path. The minimum cardinality of an induced acyclic graphoidal cover of G is called the induced acyclic graphoidal covering number of G and is denoted by ηia(G) or ηia. Here we find induced acyclic graphoidal cover for some classes of graphs.

Keywords: Graphoidal cover, Induced acyclic graphoidal cover, Induced acyclic graphoidal covering number.

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Authors: V. K. Krishnan, T. Balusamy

Abstract:

A solar dish collector has been designed, fabricated and tested for its performance on 10-03-2015 in Salem, Tamilnadu, India. The experiments on cooking vessels of coated and un-coated with 5 Liters capacity have been used for cooking Rice. The results are shown in graphs. The solar cooker is always capable of cooking food within the expected length of time and based on the solar radiation levels. With minimum cooking power, the coated pressure cooker of 5 Liters capacity cooks the food at faster manner. This is due to the conductivity of the coating material provided in the cooker.

Keywords: Solar cooker, solar concentrator type, thermal performance, simulation.

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Authors: Takeshi Sato, Mizuki Nakajima, Macky Kato, Shoji Igawa

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The purpose of study was to investigate the effect of varying pole weights on energy expenditure, upper limb and lower limb muscle activity as Electromyogram during Nordic walking (NW). Four healthy men [age = 22.5 (±1.0) years, body mass = 61.4 (±3.6) kg, height = 170.3 (±4.3) cm] and three healthy women [age = 22.7 (±2.9) years, body mass = 53.0 (±1.7) kg, height = 156.7 (±4.5) cm] participated in the experiments after informed consent. Seven healthy subjects were tested on the treadmill, walking, walking (W) with Nordic Poles (NW) and walking with 1kg weight Nordic Poles (NW+1). Walking speed was 6 km per hours in all trials. Eight EMG activities were recorded by bipolar surface methods in biceps brachii, triceps brachii, trapezius, deltoideus, tibialis anterior, medial gastrocnemius, rectus femoris and biceps femoris muscles. And heart rate (HR), oxygen uptake (VO₂), and rate of perceived exertion (RPE) were measured. The level of significance was set at a = 0.05, with p < 0.05 regarded as statistically significant. Our results confirmed that use of NW poles increased HR at a given upper arm muscle activity but decreased lower limb EMGs in comparison with W. Moreover NW was able to increase more step lengths with hip joint extension during NW rather than W. Also, EMG revealed higher activation of upper limb for almost all NW and 1kgNW tests plus added masses compared to W (p < 0.05). Therefore, it was thought either of NW and 1kgNW were to have benefit as a physical exercise for safe, feasible, and readily training for a wide range of aged people in the quality of daily life. However, there was no significant effected in leg muscles activity by using 1kgNW except for upper arm muscle activity during Nordic pole walking.

Keywords: Nordic walking, electromyogram, heart rate.

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Authors: J. K. Shrestha, A. Benta, R. B. Lopes, N. Lopes

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This work provides a practical method for the development of rural road networks in rural areas of developing countries. The proposed methodology enables to determine obligatory points in the rural road network maximizing the number of settlements that have access to basic services within a given maximum distance. The proposed methodology is simple and practical, hence, highly applicable to real-world scenarios, as demonstrated in the definition of the road network for the rural areas of Nepal.

Keywords: Minimum spanning tree, nodal points, rural road network.

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Authors: Satyendra Nath Mandal, J. Pal Choudhury, Dilip De, S. R. Bhadra Chaudhuri

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The production of a plant can be measured in terms of seeds. The generation of seeds plays a critical role in our social and daily life. The fruit production which generates seeds, depends on the various parameters of the plant, such as shoot length, leaf number, root length, root number, etc When the plant is growing, some leaves may be lost and some new leaves may appear. It is very difficult to use the number of leaves of the tree to calculate the growth of the plant.. It is also cumbersome to measure the number of roots and length of growth of root in several time instances continuously after certain initial period of time, because roots grow deeper and deeper under ground in course of time. On the contrary, the shoot length of the tree grows in course of time which can be measured in different time instances. So the growth of the plant can be measured using the data of shoot length which are measured at different time instances after plantation. The environmental parameters like temperature, rain fall, humidity and pollution are also play some role in production of yield. The soil, crop and distance management are taken care to produce maximum amount of yields of plant. The data of the growth of shoot length of some mustard plant at the initial stage (7,14,21 & 28 days after plantation) is available from the statistical survey by a group of scientists under the supervision of Prof. Dilip De. In this paper, initial shoot length of Ken( one type of mustard plant) has been used as an initial data. The statistical models, the methods of fuzzy logic and neural network have been tested on this mustard plant and based on error analysis (calculation of average error) that model with minimum error has been selected and can be used for the assessment of shoot length at maturity. Finally, all these methods have been tested with other type of mustard plants and the particular soft computing model with the minimum error of all types has been selected for calculating the predicted data of growth of shoot length. The shoot length at the stage of maturity of all types of mustard plants has been calculated using the statistical method on the predicted data of shoot length.

Keywords: Fuzzy time series, neural network, forecasting error, average error.

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Authors: S. Khamsawang, S. Jiriwibhakorn

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This paper proposes an application of the differential evolution (DE) algorithm for solving the economic dispatch problem (ED). Furthermore, the regenerating population procedure added to the conventional DE in order to improve escaping the local minimum solution. To test performance of DE algorithm, three thermal generating units with valve-point loading effects is used for testing. Moreover, investigating the DE parameters is presented. The simulation results show that the DE algorithm, which had been adjusted parameters, is better convergent time than other optimization methods.

Keywords: Differential evolution, Economic dispatch problem, Valve-point loading effect, Optimization method.

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Authors: Ram Kumar Soni, Alok Jain, Rajiv Saxena

Abstract:

This paper proposes an efficient method for the design of two channel quadrature mirror filter (QMF) bank. To achieve minimum value of reconstruction error near to perfect reconstruction, a linear optimization process has been proposed. Prototype low pass filter has been designed using Kaiser window function. The modified algorithm has been developed to optimize the reconstruction error using linear objective function through iteration method. The result obtained, show that the performance of the proposed algorithm is better than that of the already exists methods.

Keywords: Filterbank, near perfect reconstruction, Kaiserwindow, QMF.

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Authors: F. Pourhasanzade, S. H. Sabzpoushan

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The heart tissue is an excitable media. A Cellular Automata is a type of model that can be used to model cardiac action potential propagation. One of the advantages of this approach against the methods based on differential equations is its high speed in large scale simulations. Recent cellular automata models are not able to avoid flat edges in the result patterns or have large neighborhoods. In this paper, we present a new model to eliminate flat edges by minimum number of neighbors.

Keywords: Cellular Automata, Action Potential Simulation, Isotropic Pattern.

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Authors: Seyed R Mousavi

Abstract:

In most rule-induction algorithms, the only operator used against nominal attributes is the equality operator =. In this paper, we first propose the use of the inequality operator, ≠, in addition to the equality operator, to increase the expressiveness of induced rules. Then, we present a new method, Binary Coding, which can be used along with an arbitrary rule-induction algorithm to make use of the inequality operator without any need to change the algorithm. Experimental results suggest that the Binary Coding method is promising enough for further investigation, especially in cases where the minimum number of rules is desirable.

Keywords: Data mining, Inequality operator, Number of rules, Rule-induction.

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Authors: Raghvendra Kumar, Lillie Dewan

Abstract:

Exchange algorithm with constraints on magnitude and phase error separately in new way is presented in this paper. An important feature of the algorithms presented in this paper is that they allow for design constraints which often arise in practical filter design problems. Meeting required minimum stopband attenuation or a maximum deviation from the desired magnitude and phase responses in the passbands are common design constraints that can be handled by the methods proposed here. This new algorithm may have important advantages over existing technique, with respect to the speed and stability of convergence, memory requirement and low ripples.

Keywords: Least square estimation, Constraints, Exchange algorithm.

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Authors: S. Pesina, T. Solonchak

Abstract:

In the process of information transmission (concept verbalization) we deal mostly with the substance (contents), and then pay attention to the form. Recalling events from the remote past, often we cannot exactly reproduce specific heard or pronounced words, as well as the syntactic structures. We remember events, feelings, images; we recall the general contents of the discourse. The thought gets a specific language form only during the concept verbalization phase. With minimum time for pondering, depending on the language competence level, the grammar and syntactic shaping often occurs automatically with the use of famous models and stereotypes. This means that the language form adapts itself to the consciousness, and not vice versa.

Keywords: Lexical eidos, phenomenology, noema, polysemantic word, semantic core.

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Authors: Kavita Burse, R.N. Yadav, S.C. Shrivastava, Vishnu Pratap Singh Kirar

Abstract:

During signal transmission, the combined effect of the transmitter filter, the transmission medium, and additive white Gaussian noise (AWGN) are included in the channel which distort and add noise to the signal. This causes the well defined signal constellation to spread causing errors in bit detection. A compact pi neural network with minimum number of nodes is proposed. The replacement of summation at each node by multiplication results in more powerful mapping. The resultant pi network is tested on six different channels.

Keywords: Additive white Gaussian noise, digitalcommunication system, multiplicative neuron, Pi neural network.

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Authors: Volodymyr Chegel

Abstract:

The computer modeling is carried out for parameter of sensitivity of optoelectronic chemical and biosensors, using phenomena of surface plasmon resonance (SPR). The physical model of SPR-sensor-s is described with (or without) of modifications of sensitive gold film surface by a dielectric layer. The variants of increasing of sensitivity for SPR-biosensors, constructed on the principle gold – dielectric – biomolecular layer are considered. Two methods of mathematical treatment of SPR-curve are compared – traditional, with estimation of sensor-s response as shift of the SPRcurve minimum and proposed, for system with dielectric layer, using calculating of the derivative in the point of SPR-curve half-width.

Keywords: Surface Plasmon Resonance, modeling, sensitivity, biosensor

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Authors: Dong-Woo Lim, Chang-Jae Chun, Hyung-Myung Kim

Abstract:

We consider a two-way relay network where two sources exchange information. A relay helps the two sources exchange information using the decode-and-XOR-forward protocol. We investigate the power minimization problem with minimum rate constraints. The system needs two time slots and in each time slot the required rate pair should be achievable. The power consumption is minimized in each time slot and we obtained the closed form solution. The simulation results confirm that the proposed power allocation scheme consumes lower total power than the conventional schemes.

Keywords: Decode-and-XOR-forward, power minimization, two-way relay

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Authors: Jiashang Jiang

Abstract:

Model updating is an inverse eigenvalue problem which concerns the modification of an existing but inaccurate model with measured modal data. In this paper, an efficient gradient based iterative method for updating the mass, damping and stiffness matrices simultaneously using a few of complex measured modal data is developed. Convergence analysis indicates that the iterative solutions always converge to the unique minimum Frobenius norm symmetric solution of the model updating problem by choosing a special kind of initial matrices.

Keywords: Model updating, iterative algorithm, damped structural system, optimal approximation.

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Authors: Sarina Md Yusof, Suhana Aiman, Mohd Khairi Zawi, Hosni Hasan, Azila Azreen Md Radzi

Abstract:

Failure in mastery of motor skills proficiency during childhood has been seen as a detrimental factor for children to be physically active. Lack of motor skills proficiency tends to reduce children’s competency and confidence level to participate in physical activity. As a consequence of less participation in physical activity, children will turn to be overweight and obese. It has been suggested that children who master motor skill proficiency will be more involved in physical activity thus preventing them from being overweight. Obesity has become a serious childhood health issues worldwide. Previous studies have found that children who were overweight and obese were generally less active however these studies focused on one gender. This study aims to compare motor skill proficiency of underweight, normal-weight, overweight and obese young boys as well as to determine the relationship between motor skills proficiency and body composition. 112 boys aged between 8 to 10 years old participated in this study. Participants were assigned to four groups; underweight, normal-weight, overweight and obese using BMI-age percentile chart for children. Bruininks- Oseretsky Test Second Edition-Short Form was administered to assess their motor skill proficiency. Meanwhile, body composition was determined by the skinfold thickness measurement. Result indicated that underweight and normal children were superior in motor skills proficiency compared to overweight and obese children (p < 0.05). A significant strong inverse correlation between motor skills proficiency and body composition (r = -0.849) is noted. The findings of this study could be explained by non-contributory mass that carried by overweight and obese children leads to biomechanical movement inefficiency which will become detrimental to motor skills proficiency. It can be concluded that motor skills proficiency is inversely correlated with body composition.

Keywords: Motor skills proficiency, body composition, obesity.

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Authors: B. Nazari, M. A. Mohammadifar, S. Shojaee-Aliabadi, L. Mirmoghtadaie

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Millets as a new source of plant protein were not used in food applications due to its poor functional properties. In this study, the effect of high intensity ultrasound (frequency: 20 kHz, with contentious flow) (US) in 100% amplitude for varying times (5, 12.5, and 20 min) on solubility, emulsifying activity index (EAI), emulsion stability (ES), foaming capacity (FC), and foaming stability (FS) of millet protein concentrate (MPC) were evaluated. In addition, the structural properties of best treatments such as molecular weight and surface charge were compared with the control sample to prove the US effect. The US treatments significantly (P<0.05) increased the solubility of the native MPC (65.8±0.6%) at all sonicated times with the maximum solubility that is recorded at 12.5 min treatment (96.9±0.82 %). The FC of MPC was also significantly affected by the US treatment. Increase in sonicated time up to 12.5 min significantly increased the FC of native MPC (271.03±4.51 ml), but higher increase reduced it significantly. Minimal improvements were observed in the FS of all sonicated MPC compared to the native MPC. Sonicated time for 12.5 min affected the EAI and ES of the native MPC more markedly than 5 and 20 min that may be attributed to higher increase in proteins tendency to adsorption at the oil and water interfaces after the US treatment at this time. SDS-PAGE analysis showed changes in the molecular weight of MPC that attributed to shearing forces created by cavitation phenomenon. Also, this phenomenon caused an increase in the exposure of more amino acids with negative charge in the surface of US treated MPC, that was demonstrated by Zetasizer data. High intensity ultrasound, as a green technology, can significantly increase the functional properties of MPC and can make this usable for food applications.

Keywords: Millet protein concentrate, Functional properties, Structural properties, High intensity ultrasound.

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Authors: Abraham V. M., I. Sahul Hamid

Abstract:

A decomposition of a graph G is a collection ψ of graphs H1,H2, . . . , Hr of G such that every edge of G belongs to exactly one Hi. If each Hi is either an induced path in G, then ψ is called an induced acyclic path decomposition of G and if each Hi is a (induced) cycle in G then ψ is called a (induced) cycle decomposition of G. The minimum cardinality of an induced acyclic path decomposition of G is called the induced acyclic path decomposition number of G and is denoted by ¤Çia(G). Similarly the cyclic decomposition number ¤Çc(G) is defined. In this paper we begin an investigation of these parameters.

Keywords: Cycle decomposition, Induced acyclic path decomposition, Induced acyclic path decomposition number.

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Authors: Yong-jun Zhao, Heng-li Zhang, Zong-yun Hu

Abstract:

Based on the sources- smoothed rank profile (SRP) and modified minimum description length (MMDL) principle, a method for estimation of the source coherency structure (SCS) and the number of wideband sources is proposed in this paper. Instead of focusing, we first use a spatial smoothing technique to pre-process the array covariance matrix of each frequency for de-correlating the sources and then use smoothed rank profile to determine the SCS and the number of wideband sources. We demonstrate the availability of the method by numerical simulations.

Keywords: Wideband sources, source coherency structure (SCS), smoothed rank profile (SRP).

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Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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Authors: Hirbod Varasteh, Hamidreza Gohari Darabkhani

Abstract:

The global warming and its impact on climate change is one of main challenges for current century. Global warming is mainly due to the emission of greenhouse gases (GHG) and carbon dioxide (CO₂) is known to be the major contributor to the GHG emission profile. Whilst the energy sector is the primary source for CO₂ emission, Carbon Capture and Storage (CCS) are believed to be the solution for controlling this emission. Oxyfuel combustion (Oxy-combustion) is one of the major technologies for capturing CO₂ from power plants. For gas turbines, several Oxy-combustion power cycles (Oxyturbine cycles) have been investigated by means of thermodynamic analysis. NetPower cycle is one of the leading oxyturbine power cycles with almost full carbon capture capability from a natural gas fired power plant. In this manuscript, sensitivity analysis of the heat exchanger design in NetPower cycle is completed by means of process modelling. The heat capacity variation and supercritical CO₂ with gaseous admixtures are considered for multi-zone analysis with Aspen Plus software. It is found that the heat exchanger design has a major role to increase the efficiency of NetPower cycle. The pinch-point analysis is done to extract the composite and grand composite curve for the heat exchanger. In this paper, relationship between the cycle efficiency and the minimum approach temperature (∆Tmin) of the heat exchanger has also been evaluated.  Increase in ∆Tmin causes a decrease in the temperature of the recycle flue gases (RFG) and an overall decrease in the required power for the recycled gas compressor. The main challenge in the design of heat exchangers in power plants is a tradeoff between the capital and operational costs. To achieve lower ∆Tmin, larger size of heat exchanger is required. This means a higher capital cost but leading to a better heat recovery and lower operational cost. To achieve this, ∆Tmin is selected from the minimum point in the diagrams of capital and operational costs. This study provides an insight into the NetPower Oxy-combustion cycle’s performance analysis and operational condition based on its heat exchanger design.

Keywords: Carbon capture and storage, oxy-combustion, netpower cycle, oxyturbine power cycles, heat exchanger design, supercritical carbon dioxide, pinch point analysis.

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