Search results for: block linear multistep methods

Authors: Arun Kumar Yadav, Badam Singh Kushvah

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In the present work, we investigated displaced periodic orbits in the linear order in the circular restricted three-body Sun-Jupiter system, where the third mass-less body utilizes solar electric sail. The electric solar sail is a new space propulsion concept which uses the solar wind momentum for producing thrust, and it is somewhat like to the more well-known solar radiation pressure sail which is often called simply the solar sail. Moreover, we implement the feedback linearization control scheme to perform the stabilization and trajectory tracking for the nonlinear system. Further, we derived periodic orbits analytically in linear order by introducing a first order approximation. These approximate analytic solutions are utilized in a numerical search to determine displaced periodic orbit in the full nonlinear model. We found the displaced periodic orbit for the defined non-linear model and stabilized the model.

Keywords: solar electric sail, circular restricted three-body problem (CRTBP), displaced orbit, feedback linearization control

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Authors: Gubhinder Kundhi, Paul Rilstone

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Refined procedures for higher-order asymptotic theory for non-linear models are developed. These include a new method for deriving stochastic expansions of arbitrary order, new methods for evaluating the moments of polynomials of sample averages, a new method for deriving the approximate moments of the stochastic expansions; an application of these techniques to gather improved inferences with the weak instruments problem is considered. It is well established that Instrumental Variable (IV) estimators in the presence of weak instruments can be poorly behaved, in particular, be quite biased in finite samples. In our application, finite sample approximations to the distributions of these estimators are obtained using Edgeworth and Saddlepoint expansions. Departures from normality of the distributions of these estimators are analyzed using higher order analytical corrections in these expansions. In a Monte-Carlo experiment, the performance of these expansions is compared to the first order approximation and other methods commonly used in finite samples such as the bootstrap.

Keywords: edgeworth expansions, higher order asymptotics, saddlepoint expansions, weak instruments

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Authors: Satpal Yadav, Biswajit Basumatary, Arvind S. Sajwan, Ranjan Chakravarty

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The purpose of the study was to assess the effect of 2D kinematical selected variables on sprint start with sprinting performance of novice athletes. Six (3 National and 3 State level) athletes of sports authority of India, Guwahati has been selected for this study. The mean (M) and standard deviation (SD) of sprinters were age (17.44, 1.55), height (1.74m, .84m), weight (62.25 kg, 4.55), arm length (65.00 cm, 3.72) and leg length (96.35 cm, 2.71). Biokin-2D motion analysis system V4.5 can be used for acquiring two-dimensional kinematical data/variables on sprint start with Sprinting Performance. For the purpose of kinematic analysis a standard motion driven camera which frequency of the camera was 60 frame/ second i.e. handy camera of Sony Company were used. The sequence of photographic was taken under controlled condition. The distance of the camera from the athletes was 12 mts away and was fixed at 1.2-meter height. The result was found that National and State level athletes significant difference in there, trajectory knee, trajectory ankle, displacement knee, displacement ankle, linear velocity knee, linear velocity ankle, and linear acceleration ankle whereas insignificant difference was found between National and State level athletes in their linear acceleration knee joint on sprint start with sprinting performance. For all the Statistical test the level of significance was set at p<0.05.

Keywords: 2D kinematic analysis, sprinting performance, novice athletes, sprint start

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Authors: S. H. Lee, M. J. Park, O. M. Kwon

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In this paper, reliable consensus of multi-agent systems with sampled-data is investigated. By using a suitable Lyapunov-Krasovskii functional and some techniques such as Wirtinger Inequality, Schur Complement and Kronecker Product, the results of this systems are obtained by solving a set of Linear Matrix Inequalities(LMIs). One numerical example is included to show the effectiveness of the proposed criteria.

Keywords: multi-agent, linear matrix inequalities (LMIs), kronecker product, sampled-data, Lyapunov method

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Authors: Siti Khadijah Che Osmi, Mohammed Ahmad Syed

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Underground tunnels are one of the most popular public facilities for various applications such as transportation, water transfer, network utilities and etc. Experience from the past earthquake reveals that the underground tunnels also become vulnerable components and may damage at certain percentage depending on the level of ground shaking and induced phenomena. In this paper a numerical analysis is conducted in evaluating the sensitivity of two types of circular shallow tunnel lining models to wide ranging changes in the geotechnical design parameter. Critical analysis has been presented about the current methods of analysis, structural typology, ground motion characteristics, effect of soil conditions and associated uncertainties on the tunnel integrity. The response of the tunnel is evaluated through 2D non-linear finite element analysis, which critically assesses the impact of increasing levels of seismic loads. The finding from this study offer significant information on improving methods to assess the vulnerability of underground structures.

Keywords: geotechnical design parameter, seismic response, sensitivity analysis, shallow tunnel

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Authors: Germán Gálvez-García, Marta Lavin, Javiera Peña, Javier Albayay, Claudio Bascour, Jesus Fernandez-Gomez, Alicia Pérez-Gálvez

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We studied the effectiveness of response inhibition in movements with different degrees of motor complexity when they were executed in isolation and alternately. Sixteen participants performed the Stroop task which was used as a measure of response inhibition. Participants responded by lifting the index finger and reaching the screen with the same finger. Both actions were performed separately and alternately in different experimental blocks. Repeated measures ANOVAs were used to compare reaction time, movement time, kinematic errors and Movement errors across conditions (experimental block, movement, and congruency). Delta plots were constructed to perform distributional analyses of response inhibition and accuracy rate. The effectiveness of response inhibition did not show difference when the movements were performed in separated blocks. Nevertheless, it showed differences when they were performed alternately in the same experimental block, being more effective for the lifting action. This could be due to a competition of the available resources during a more complex scenario which also demands to adopt some strategy to avoid errors.

Keywords: response inhibition, motor complexity, Stroop task, delta plots

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Authors: Mohamed Hassan Abdullahi

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Decomposition is used as a synthesis tool in several physical systems. It can also be used for tearing and restructuring, which is large-scale system analysis. On the other hand, the commutativity of series-connected systems has fascinated the interest of researchers, and its advantages have been emphasized in the literature. The presentation looks into the necessary conditions for decomposing any third-order discrete-time linear time-varying system into a commutative pair of first- and second-order systems. Additional requirements are derived in the case of nonzero initial conditions. MATLAB simulations are used to verify the findings. The work is unique and is being published for the first time. It is critical from the standpoints of synthesis and/or design. Because many design techniques in engineering systems rely on tearing and reconstruction, this is the process of putting together simple components to create a finished product. Furthermore, it is demonstrated that regarding sensitivity to initial conditions, some combinations may be better than others. The results of this work can be extended for the decomposition of fourth-order discrete-time linear time-varying systems into lower-order commutative pairs, as two second-order commutative subsystems or one first-order and one third-order commutative subsystems.

Keywords: commutativity, decomposition, discrete time-varying systems, systems

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Authors: Clara Franch de la Cal, Christopher J Morris, Michael McArthur

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Cystic fibrosis (CF) is an autosomal recessive genetic disorder characterized by abnormal transport of chloride and sodium across the lung epithelium, leading to thick and viscous secretions. Within which CF patients suffer from repeated bacterial pulmonary infections, with Pseudomonas aeru-ginosa (PA) eliciting the greatest inflammatory response, causing an irreversible loss of lung func-tion that determines morbidity and mortality. The cell wall of PA is a permeability barrier to many antibacterials and the rise of Mutli-Drug Resistant strains (MDR) is eroding the efficacy of the few remaining clinical options. In addition when PA infection becomes established it forms an antibi-otic-resistant biofilm, embedded in which are slow growing cells that are refractive to drug treat-ment. Making the development of new antibacterials a major challenge. This work describes the development of new type of nanoparticulate oligonucleotide antibacterial capable of tackling PA infections, including MDR strains. It is being developed to both block growth and prevent biofilm formation. These oligonucleotide therapeutics, Transcription Factor Decoys (TFD), act on novel genomic targets by capturing key regulatory proteins to block essential bacterial genes and defeat infection. They have been successfully transfected into a wide range of pathogenic bacteria, both in vitro and in vivo, using a proprietary delivery technology. The surfactant used self-assembles with TFD to form a nanoparticle stable in biological fluids, which protects the TFD from degradation and preferentially transfects prokaryotic membranes. Key challenges are to adapt the nanoparticle so it is active against PA in the context of biofilms and to formulate it for administration by inhalation. This would allow the drug to be delivered to the respiratory tract, thereby achieving drug concentrations sufficient to eradicate the pathogenic organisms at the site of infection.

Keywords: antibacterials, transcriptional factor decoys (TFDs), pseudomonas aeruginosa

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Authors: A.R. Eskandari, M.R. Eskandari

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A 2D complete identification algorithm for dielectric and multiple objects immersed in air is presented. The employed technique consists of initially retrieving the shape and position of the scattering object using a linear sampling method and then determining the electric permittivity and conductivity of the scatterer using adjoint sensitivity analysis. This inversion algorithm results in high computational speed and efficiency, and it can be generalized for any scatterer structure. Also, this method is robust with respect to noise. The numerical results clearly show that this hybrid approach provides accurate reconstructions of various objects.

Keywords: inverse scattering, microwave imaging, two-dimensional objects, Linear Sampling Method (LSM)

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Authors: Iryna Biskub

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The interdisciplinary approach to modern linguistic studies is exemplified by the merge of various research methods, which sometimes causes complications related to the verification of the research results. This methodological confusion can be resolved by means of creating new techniques of linguistic analysis combining several scientific paradigms. Modern linguistics has developed really productive and efficient methods for the investigation of cognitive and communicative phenomena of which language is the central issue. In the field of discourse studies, one of the best examples of research methods is the method of Critical Discourse Analysis (CDA). CDA can be viewed both as a method of investigation, as well as a critical multidisciplinary perspective. In CDA the position of the scholar is crucial from the point of view exemplifying his or her social and political convictions. The generally accepted approach to obtaining scientifically reliable results is to use a special well-defined scientific method for researching special types of language phenomena: cognitive methods applied to the exploration of cognitive aspects of language, whereas communicative methods are thought to be relevant only for the investigation of communicative nature of language. In the recent decades discourse as a sociocultural phenomenon has been the focus of careful linguistic research. The very concept of discourse represents an integral unity of cognitive and communicative aspects of human verbal activity. Since a human being is never able to discriminate between cognitive and communicative planes of discourse communication, it doesn’t make much sense to apply cognitive and communicative methods of research taken in isolation. It is possible to modify the classical CDA procedure by means of mapping human cognitive procedures onto the strategic communicative planning of discourse communication. The analysis of the electronic petition 'Block Donald J Trump from UK entry. The signatories believe Donald J Trump should be banned from UK entry' (584, 459 signatures) and the parliamentary debates on it has demonstrated the ability to map cognitive and communicative levels in the following way: the strategy of discourse modeling (communicative level) overlaps with the extraction of semantic macrostructures (cognitive level); the strategy of discourse management overlaps with the analysis of local meanings in discourse communication; the strategy of cognitive monitoring of the discourse overlaps with the formation of attitudes and ideologies at the cognitive level. Thus, the experimental data have shown that it is possible to develop a new complex methodology of discourse analysis, where cognition would meet communication, both metaphorically and literally. The same approach may appear to be productive for the creation of computational models of human-computer interaction, where the automatic generation of a particular type of a discourse could be based on the rules of strategic planning involving cognitive models of CDA.

Keywords: cognition, communication, discourse, strategy

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Authors: José Álvarez Pérez, Ramón García Cedeño, Gerardo Fajardo-San Miguel, Jorge H. Chávez Gómez, Franco A. Carpio Santamaría, Milena Mesa Lavista

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The uniaxial compressive strength and modulus of elasticity in hollow concrete block masonry (HCBM) represent key mechanical properties for structural design considerations. These properties are obtained through experimental tests conducted on prisms or wallettes and depend on various factors, with the HCB contributing significantly to overall strength. One influential factor in the compressive behaviour of masonry is the thickness and method of mortar placement. Mexican regulations stipulate mortar placement over the entire net area (full-shell) for strength computation based on the gross area. However, in professional practice, there's a growing trend to place mortar solely on the lateral faces. Conversely, the United States of America standard dictates mortar placement and computation over the net area of HCB. The Canadian standard specifies mortar placement solely on the lateral face (Face-Shell-Bedding), where computation necessitates the use of the effective load area, corresponding to the mortar's placement area. This research aims to evaluate the influence of different mortar placement methods on the axial compression behaviour of HCBM. To achieve this, an experimental campaign was conducted, including: (1) 10 HCB specimens with mortar on the entire net area, (2) 10 HCB specimens with mortar placed on the lateral faces, (3) 10 prisms of 2-course HCB under axial compression with mortar in full-shell, (4) 10 prisms of 2-course HCB under axial compression with mortar in face-shell-bedding, (5) 10 prisms of 3-course HCB under axial compression with mortar in full-shell, (6) 10 prisms of 3-course HCB under axial compression with mortar in face-shell-bedding, (7) 10 prisms of 4-course HCB under axial compression with mortar in full-shell, and, (8) 10 prisms of 4-course HCB under axial compression with mortar in face-shell-bedding. A combination of sulphur and fly ash in a 2:1 ratio was used for the capping material, meeting the average compressive strength requirement of over 35 MPa as per NMX-C-036 standards. Additionally, a mortar with a strength of over 17 MPa was utilized for the prisms. The results indicate that prisms with mortar placed over the full-shell exhibit higher strength compared to those with mortar over the face-shell-bedding. However, the elastic modulus was lower for prisms with mortar placement over the full-shell compared to face-shell bedding.

Keywords: masonry, hollow concrete blocks, mortar placement, prisms tests

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Authors: Doo Byong Bae, Jae Jun Yoo, Il Gyu Park, Choi Seowon, Oh Chang Kook

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There are several wind load provisions to evaluate the wind response on tank structures such as API, Euro-code, etc. the assessment of wind action applying these provisions is made by performing the finite element analysis using both linear bifurcation analysis and geometrically nonlinear analysis. By comparing the pressure patterns obtained from the analysis with the results of wind tunnel test, most appropriate wind load criteria will be recommended.

Keywords: wind load, finite element analysis, linear bifurcation analysis, geometrically nonlinear analysis

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Authors: Muskaan Sethi, Arnab Banerjee, Bappaditya Manna

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The present paper aims to investigate a suitable contact between a wheel rolling over a flexible beam. A Linear Complementary (LCP) based approach has been adopted to simulate the contact dynamics for a rigid wheel traversing over a flexible Euler Bernoulli simply supported beam. The adopted methodology is suitable to incorporate the effect of frictional force acting at the wheel-beam interface. Moreover, the possibility of the generation of a gap between the two bodies has also been considered. The present method is based on a unilateral contact assumption which assumes that no penetration would occur when the two bodies come in contact. This assumption helps to predict the contact between wheels and beams in a more practical sense. The proposed methodology is validated with the previously published results and is found to be in good agreement. Further, this method is applied to simulate the contact between wheels and beams for various railway configurations. Moreover, different parametric studies are conducted to study the contact dynamics between the wheel and beam more thoroughly.

Keywords: contact dynamics, linear complementary problem, railway dynamics, unilateral contact

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Authors: J. K. Adedeji, S. T. Ijatuyi

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The application of neural network using pattern recognition to study the fluid dynamics and predict the groundwater reservoirs properties has been used in this research. The essential of geophysical survey using the manual methods has failed in basement environment, hence the need for an intelligent computing such as predicted from neural network is inevitable. A non-linear neural network with an XOR (exclusive OR) output of 8-bits configuration has been used in this research to predict the nature of groundwater reservoirs and fluid dynamics of a typical basement crystalline rock. The control variables are the apparent resistivity of weathered layer (p₁), fractured layer (p₂), and the depth (h), while the dependent variable is the flow parameter (F=λ). The algorithm that was used in training the neural network is the back-propagation coded in C++ language with 300 epoch runs. The neural network was very intelligent to map out the flow channels and detect how they behave to form viable storage within the strata. The neural network model showed that an important variable g_r (gravitational resistance) can be deduced from the elevation and apparent resistivity p_a. The model results from SPSS showed that the coefficients, a, b and c are statistically significant with reduced standard error at 5%.

Keywords: gravitational resistance, neural network, non-linear, pattern recognition

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Authors: Md. Salim Kaiser

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In the present work, the effect of load and sliding distance on the performance tribology of commercially used aluminium-silicon engine block and piston was evaluated at ambient conditions with humidity of 80% under dry sliding conditions using a pin-on-disc with two different loads of 5N and 20N yielding applied pressure of 0.30MPa and 1.4MPa, respectively, at sliding velocity of 0.29ms-1 and with varying sliding distance ranging from 260m-4200m. Factors and conditions that had significant effect were identified. The results showed that the load and the sliding distance affect the wear rate of the alloys and the wear rate increased with increasing load for both the alloys. Wear rate also increases almost linearly at low loads and increase to a maximum then attain a plateau with increasing sliding distance. For both applied loads, the piston alloy showed the better performance due to higher Ni and Mg content. The worn surface and wear debris was characterized by optical microscope, SEM and EDX analyzer. The worn surface was characterized by surface with shallow grooves at loads while the groove width and depth increased as the loads increases. Oxidative wear was found to be the predominant mechanisms in the dry sliding of Al-Si alloys at low loads

Keywords: wear, friction, gravimetric analysis, aluminium-silicon alloys, SEM, EDX

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Authors: Ahmed E. Hodaib, Samar F. Abdel Fattah

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High-speed transportation is a growing concern. To develop high-speed rails and to increase high-speed efficiencies, the idea of Hyperloop was introduced. The challenge is to overcome the difficulties of managing friction and air-resistance which become substantial when vehicles approach high speeds. In this paper, we are presenting the methodologies of the capsule design which got a design concept innovation award at SpaceX competition in January, 2016. MATLAB scripts are written for the levitation and propulsion calculations and iterations. Computational Fluid Dynamics (CFD) is used to simulate the air flow around the capsule considering the effect of the axial-flow air compressor and the levitation cushion on the air flow. The design procedures of a single-sided linear induction motor are analyzed in detail and its geometric and magnetic parameters are determined. A structural design is introduced and Finite Element Method (FEM) is used to analyze the stresses in different parts. The configuration and the arrangement of the components are illustrated. Moreover, comments on manufacturing are made.

Keywords: high-speed transportation, hyperloop, railways transportation, single-sided linear induction Motor (SLIM)

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Authors: Zhifeng Kong

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Over-parameterized neural networks have attracted a great deal of attention in recent deep learning theory research, as they challenge the classic perspective of over-fitting when the model has excessive parameters and have gained empirical success in various settings. While a number of theoretical works have been presented to demystify properties of such models, the convergence properties of such models are still far from being thoroughly understood. In this work, we study the convergence properties of training two-hidden-layer partially over-parameterized fully connected networks with the Rectified Linear Unit activation via gradient descent. To our knowledge, this is the first theoretical work to understand convergence properties of deep over-parameterized networks without the equally-wide-hidden-layer assumption and other unrealistic assumptions. We provide a probabilistic lower bound of the widths of hidden layers and proved linear convergence rate of gradient descent. We also conducted experiments on synthetic and real-world datasets to validate our theory.

Keywords: over-parameterization, rectified linear units ReLU, convergence, gradient descent, neural networks

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Authors: Rajamani Doraiswami, Lahouari Cheded

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Fault diagnosis of Linear Parameter-Varying (LPV) system using an adaptive Kalman filter is proposed. The LPV model is comprised of scheduling parameters, and the emulator parameters. The scheduling parameters are chosen such that they are capable of tracking variations in the system model as a result of changes in the operating regimes. The emulator parameters, on the other hand, simulate variations in the subsystems during the identification phase and have negligible effect during the operational phase. The nominal model and the influence vectors, which are the gradient of the feature vector respect to the emulator parameters, are identified off-line from a number of emulator parameter perturbed experiments. A Kalman filter is designed using the identified nominal model. As the system varies, the Kalman filter model is adapted using the scheduling variables. The residual is employed for fault diagnosis. The proposed scheme is successfully evaluated on simulated system as well as on a physical process control system.

Keywords: identification, linear parameter-varying systems, least-squares estimation, fault diagnosis, Kalman filter, emulators

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Authors: Fayzan Ahmed, Saad Bin Saeed, Abdul Qadir Jangda

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Gafchromic™ sheet are extensively used for the QA of intensity modulated radiation therapy and other in-vivo dosimetry. Intra-sheet Non-uniformity of scanner as well as film causes undesirable fluctuations which are reflected in dosimetry The aim of this study is to define a systematic and robust method to investigate the intra-sheet uniformity of the unexposed Gafchromic Sheets and the region of interest (ROI) of the scanner. Sheets of lot No#: A05151201 were scanned before and after the expiry period with the EPSON™ XL10000 scanner in the transmission mode, landscape orientation and 72 dpi resolution. ROI of (8’x 10’ inches) equal to the sheet dimension in the center of the scanner is used to acquire images with full transmission, block transmission and with sheets in place. 500 virtual grids, created in MATALB® are imported as a macros in ImageJ (1.49m Wayne Rasband) to analyze the images. In order to remove the edge effects, the outer 86 grids are excluded from the analysis. The standard deviation of the block transmission and full transmission are 0.38% and 0.66% confirming a higher uniformity of the scanner. Expired and non-expired sheets have standard deviations of 2.18% and 1.29%, show that uniformity decreases after expiry. The results are promising and indicates a good potential of this method to be used as a uniformity check for scanner and unexposed Gafchromic sheets.

Keywords: IMRT, film dosimetry, virtual grids, uniformity

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Authors: Raya Al Khayari, Rasha Al Jassim, Muna Al Balushi, Fatma Al Moqbali, Said El Hajjar

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This study utilizes linear regression analysis to investigate the correlation between user account passwords and the probability of civil ID exposure, offering statistical insights into civil ID security. The study employs multiple linear regression (MLR) analysis to further investigate the elements that influence consumers’ views of civil ID security. This aims to increase awareness and improve preventive measures. The results obtained from the MLR analysis provide a thorough comprehension and can guide specific educational and awareness campaigns aimed at promoting improved security procedures. In summary, the study’s results offer significant insights for improving existing security measures and developing more efficient tactics to reduce risks related to civil ID security in Oman. By identifying key factors that impact consumers’ perceptions, organizations can tailor their strategies to address vulnerabilities effectively. Additionally, the findings can inform policymakers on potential regulatory changes to enhance civil ID security in the country.

Keywords: civil-id disclosure, awareness, linear regression, multiple regression

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Authors: Amine Ait-Ouahmed, Didier Josselin, Fen Zhou

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Free-Float car-sharing is an one-way car-sharing service where cars are available anytime and anywhere in the streets such that no dedicated stations are needed. This means that after driving a car you can park it anywhere. This car-sharing system creates an imbalance car distribution in the cites which can be regulated by staff agents through the redistribution of cars. In this paper, we aim to solve the car-reservation and agents traveling problem so that the number of successful cars’ reservations could be maximized. Beside, we also tend to minimize the distance traveled by agents for cars redistribution. To this end, we present a mixed integer linear programming formulation for the car-sharing problem.

Keywords: one-way car-sharing, vehicle redistribution, car reservation, linear programming

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Authors: Nicola Rubino

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This paper presents an analysis of a group of commodity exporting countries' nominal exchange rate movements in relationship to the US dollar. Using a series of Unrestricted Self-exciting Threshold Autoregressive models (SETAR), we model and evaluate sixteen national CPI price differentials relative to the US dollar CPI. Out-of-sample forecast accuracy is evaluated through calculation of mean absolute error measures on the basis of two-hundred and fifty-three months rolling window forecasts and extended to three additional models, namely a logistic smooth transition regression (LSTAR), an additive non linear autoregressive model (AAR) and a simple linear Neural Network model (NNET). Our preliminary results confirm presence of some form of TAR non linearity in the majority of the countries analyzed, with a relatively higher goodness of fit, with respect to the linear AR(1) benchmark, in five countries out of sixteen considered. Although no model appears to statistically prevail over the other, our final out-of-sample forecast exercise shows that SETAR models tend to have quite poor relative forecasting performance, especially when compared to alternative non-linear specifications. Finally, by analyzing the implied half-lives of the > coefficients, our results confirms the presence, in the spirit of arbitrage band adjustment, of band convergence with an inner unit root behaviour in five of the sixteen countries analyzed.

Keywords: transition regression model, real exchange rate, nonlinearities, price differentials, PPP, commodity points

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Authors: Silvana Caglieri

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Theoretical study of acetylation of p-methylaniline catalyzed by Cu2+ ions from the analysis of intermediate of the reaction was carried out. The study of acetylation of amines is of great interest by the utility of its products of reaction and is one of the most frequently used transformations in organic synthesis as it provides an efficient and inexpensive means for protecting amino groups in a multistep synthetic process. Acetylation of amine is a nucleophilic substitution reaction. This reaction can be catalyzed by Lewis acid, metallic ion. In reaction mechanism, the metallic ion formed a complex with the oxygen of the acetic anhydride carbonyl, facilitating the polarization of the same and the successive addition of amine at the position to form a tetrahedral intermediate, determining step of the rate of the reaction. Experimental work agreed that this reaction takes place with the formation of a tetrahedral intermediate. In the present theoretical work were investigated the structure and energy of the tetrahedral intermediate of the reaction catalyzed by Cu2+ ions. Geometries of all species involved in the acetylation were made and identified. All of the geometry optimizations were performed by the method at the DFT/B3LYP level of theory and the method MP2. Were adopted the 6-31+G* basis sets. Energies were calculated using the Mechanics-UFF method. Following the same procedure it was identified the geometric parameters and energy of reaction intermediate. The calculations show 61.35 kcal/mol of energy for the tetrahedral intermediate and the energy of activation for the reaction was 15.55 kcal/mol.

Keywords: amides, amines, DFT, MP2

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Authors: R. Vigneswaran, S. Thilakanathan

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Variable time-stepping algorithms for solving dynamical systems performed poorly for long time computations which pass close to a fixed point. To overcome this difficulty, several authors considered phase space error controls for numerical simulation of dynamical systems. In one generalized phase space error control, a step-size selection scheme was proposed, which allows this error control to be incorporated into the standard adaptive algorithm as an extra constraint at negligible extra computational cost. For this generalized error control, it was already analyzed the forward Euler method applied to the linear system whose coefficient matrix has real and negative eigenvalues. In this paper, this result was extended to the linear system whose coefficient matrix has complex eigenvalues with negative real parts. Some theoretical results were obtained and numerical experiments were carried out to support the theoretical results.

Keywords: adaptivity, fixed point, long time simulations, stability, linear system

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Authors: Alex Contarino

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Professional sports leagues often have a “free agency” period, during which teams may sign players with expiring contracts.To promote parity, many leagues operate under a salary cap that limits the amount teams can spend on player’s salaries in a given year. Similarly, in fantasy sports leagues, salary cap drafts are a popular method for selecting players. In order to sign a free agent in either setting, teams must bid against one another to buy the player’s services while ensuring the sum of their player’s salaries is below the salary cap. This paper models the bidding process for a free agent as a constrained optimization problem that can be solved using linear programming. The objective is to determine the largest bid that a team should offer the player subject to the constraint that the value of signing the player must exceed the value of using the salary cap elsewhere. Iteratively solving this optimization problem for each available free agent provides teams with an effective framework for maximizing the talent on their rosters. The utility of this approach is demonstrated for team sport roster construction and fantasy sport drafts, using recent data sets from both settings.

Keywords: linear programming, optimization, roster management, salary cap

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Authors: M. S. Mrudula, M. R. Gopinathan Nair

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In order to utilize the natural rubber for developing new green polymeric materials for specialty applications, we have prepared natural rubber and polyethylene oxide based polymeric networks by two shot method. The polymeric networks thus formed have been used as chelating exchanger for metal ion binding. Chelating exchangers are, in general, coordinating copolymers containing one or more electron donor atoms such as N, S, O, and P that can form coordinate bonds with metals. Hydrogels are water- swollen network of hydrophilic homopolymer or copolymers. They acquire a great interest due to the facility of the incorporation of different chelating groups into the polymeric networks. Such polymeric hydrogels are promising materials in the field of hydrometallurgical applications and water purification due to their chemical stability. The current study discusses the swelling response of the polymeric networks as a function of time, temperature, pH and [NaCl] and sorption studies. Equilibrium swelling has been observed to depend on both structural aspects of the polymers and environmental factors. Metal ion sorption shows that these polymeric networks can be used for removal, separation, and enrichment of metal ions from aqueous solutions and can play an important role for environmental remediation of municipal and industrial wastewater.

Keywords: block copolymer, adsorption, chelating exchanger, swelling study, polymer, metal complexes

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Authors: Krasimira N. Zhilkova, Mariya K. Kyulavska, Roza P. Mateva

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The anionic polymerization of -caprolactam (CL) with bifunctional activators has been extensively studied as an effective and beneficial method of improving chemical and impact resistances, elasticity and other mechanical properties of polyamide (PA6). In presence of activators or macroactivators (MAs) also called polymeric activators (PACs) the anionic polymerization of lactams proceeds rapidly at a temperature range of 130-180C, well below the melting point of PA-6 (220C) permitting thus the direct manufacturing of copolymer product together with desired modifications of polyamide properties. Copolymers of PA6 with an elastic polypropylene glycol (PPG) middle block into main chain were successfully synthesized via activated anionic ring opening polymerization (ROP) of CL. Using novel PACs based on PPG polyols (with differ molecular weight) the anionic ROP of CL was realized and investigated in the presence of a basic initiator sodium salt of CL (NaCL). The PACs were synthesized as N-carbamoyllactam derivatives of hydroxyl terminated PPG functionalized with isophorone diisocyanate [IPh, 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane] and blocked then with CL units via an addition reaction. The block copolymers were analyzed and proved with 1H-NMR and FT-IR spectroscopy. The influence of the CL/PACs ratio in feed, the length of the PPG segments and polymerization conditions on the kinetics of anionic ROP, on average molecular weight, and on the structure of the obtained block copolymers were investigated. The structure and phase behaviour of the copolymers were explored with differential scanning calorimetry, wide-angle X-ray diffraction, thermogravimetric analysis and dynamic mechanical thermal analysis. The crystallinity dependence of PPG content incorporated into copolymers main backbone was estimate. Additionally, the mechanical properties of the obtained copolymers were studied by notched impact test. From the performed investigation in this study could be concluded that using PPG based PACs at the chosen ROP conditions leads to obtaining well-defined PA6-b-PPG-b-PA6 copolymers with improved impact resistance.

Keywords: anionic ring opening polymerization, caprolactam, polyamide copolymers, polypropylene glycol

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Authors: Sunil K. Jena, Sanjaya K. Samal, Mahesh Chand, Abhay T. Sangamwar

Abstract:

Tamoxifen (TMX) and its analogues are approved as a first line therapy for the treatment of estrogen receptor-positive tumors. However, clinical development of TMX has been hampered by its low bioavailability and severe hepatotoxicity. Herein, we attempt to design a new drug delivery vehicle that could enhance the pharmacokinetic performance of TMX. Initially, high-molecular weight carboxymethyl chitosan was hydrolyzed to low-molecular weight carboxymethyl chitosan (LMW CMC) with hydrogen peroxide under the catalysis of phosphotungstic acid. Amphiphilic block copolymers of LMW CMC were synthesized via amidation reaction between the carboxyl group of α-tocopherol succinate (TS) and an amine group of LMW CMC. These amphiphilic block copolymers were self-assembled to nanosize core-shell-structural micelles in the aqueous medium. The critical micelle concentration (CMC) decreased with the increasing substitution of TS on LMW CMC, which ranged from 1.58 × 10-6 to 7.94 × 10-8 g/mL. Maximum TMX loading up to 8.08 ± 0.98% was achieved with Cmc-TS4.5 (TMX/Cmc-TS4.5 with 1:8 weight ratio). Both blank and TMX-loaded polymeric micelles (TMX-PM) of Cmc-TS4.5 exhibits spherical shape with the particle size below 200 nm. TMX-PM has been found to be stable in the gastrointestinal conditions and released only 44.5% of the total drug content by the first 72 h in simulated gastric fluid (SGF), pH 1.2. However, the presence of pepsin does not significantly increased the TMX release in SGF, pH 1.2, released only about 46.2% by the first 72 h suggesting its inability to cleave the peptide bond. In contrast, the release of TMX from TMX-PM4.5 in SIF, pH 6.8 (without pancreatin) was slow and sustained, released only about 10.43% of the total drug content within the first 30 min and nearly about 12.41% by the first 72 h. The presence of pancreatin in SIF, pH 6.8 led to an improvement in drug release. About 28.09% of incorporated TMX was released in the presence of pancreatin in 72 h. A cytotoxicity study demonstrated that TMX-PM exhibited time-delayed cytotoxicity in human MCF-7 breast cancer cells. Pharmacokinetic studies on Sprague-Dawley rats revealed a remarkable increase in oral bioavailability (1.87-fold) with significant (p < 0.0001) enhancement in AUC0-72 h, t1/2 and MRT of TMX-PM4.5 than that of TMX-suspension. Thus, the results suggested that CMC-TS micelles are a promising carrier for TMX delivery.

Keywords: carboxymethyl chitosan, d-α-tocopherol succinate, pharmacokinetic, polymeric micelles, tamoxifen

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Authors: Piotr A. Kowalski, Kasper Sapala, Wiktor Warchalowski

Abstract:

PM10 is a suspended dust that primarily has a negative effect on the respiratory system. PM10 is responsible for attacks of coughing and wheezing, asthma or acute, violent bronchitis. Indirectly, PM10 also negatively affects the rest of the body, including increasing the risk of heart attack and stroke. Unfortunately, Poland is a country that cannot boast of good air quality, in particular, due to large PM concentration levels. Therefore, based on the dense network of Airly sensors, it was decided to deal with the problem of prediction of suspended particulate matter concentration. Due to the very complicated nature of this issue, the Machine Learning approach was used. For this purpose, Convolution Neural Network (CNN) neural networks have been adopted, these currently being the leading information processing methods in the field of computational intelligence. The aim of this research is to show the influence of particular CNN network parameters on the quality of the obtained forecast. The forecast itself is made on the basis of parameters measured by Airly sensors and is carried out for the subsequent day, hour after hour. The evaluation of learning process for the investigated models was mostly based upon the mean square error criterion; however, during the model validation, a number of other methods of quantitative evaluation were taken into account. The presented model of pollution prediction has been verified by way of real weather and air pollution data taken from the Airly sensor network. The dense and distributed network of Airly measurement devices enables access to current and archival data on air pollution, temperature, suspended particulate matter PM1.0, PM2.5, and PM10, CAQI levels, as well as atmospheric pressure and air humidity. In this investigation, PM2.5, and PM10, temperature and wind information, as well as external forecasts of temperature and wind for next 24h served as inputted data. Due to the specificity of the CNN type network, this data is transformed into tensors and then processed. This network consists of an input layer, an output layer, and many hidden layers. In the hidden layers, convolutional and pooling operations are performed. The output of this system is a vector containing 24 elements that contain prediction of PM10 concentration for the upcoming 24 hour period. Over 1000 models based on CNN methodology were tested during the study. During the research, several were selected out that give the best results, and then a comparison was made with the other models based on linear regression. The numerical tests carried out fully confirmed the positive properties of the presented method. These were carried out using real ‘big’ data. Models based on the CNN technique allow prediction of PM10 dust concentration with a much smaller mean square error than currently used methods based on linear regression. What's more, the use of neural networks increased Pearson's correlation coefficient (R²) by about 5 percent compared to the linear model. During the simulation, the R² coefficient was 0.92, 0.76, 0.75, 0.73, and 0.73 for 1st, 6th, 12th, 18th, and 24th hour of prediction respectively.

Keywords: air pollution prediction (forecasting), machine learning, regression task, convolution neural networks

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Authors: Miceska Simona, Škof Erik, Frković Grazio Snježana, Jeričević Anja, Smrkolj Špela, Cvjetićanin Branko, Novaković Srdjan, Grčar Kuzmanov Biljana, Kloboves-Prevodnik Veronika

Abstract:

Objectives: High-grade serous ovarian cancer (HGSOC) is characterized by the dissemination of the tumor cells (TC) in the peritoneal cavity forming malignant ascites at the time of diagnosis or recurrence. Still, cytology itself has been underutilized as a modality for the diagnosis of HGSOC from ascites, and histological examination from the tumor tissue is yet the only validated method used. The objective of this study was to evaluate the reliability of cytology in the diagnosis of HGSOC in relation to the histopathological examination. Methods: The study included 42 patients with histologically confirmed HGSOC, accompanied by malignant ascites. To confirm the malignancy of the TC in the ascites and to define their immunophenotype, immunohistochemical reaction (IHC) of the following antigens: Calretinin, MOC, WT1, PAX8, p53, p16 & Ki-67 was evaluated on ascites cytospins and tissue blocks. For complete cytological determination of HGSOC, BRCA 1/2 gene mutation was determined from ascites, tissue block, and blood. BRCA1/2 mutation from blood was performed to define the type of mutation, somatic vs germline. Results: Among 42 patients, the immunophenotype of HGSOC from ascites was confirmed in 36 cases (86%). For more profound analysis, the patients were divided in 3 groups regarding the number of TC present in the ascites: patients with less than 10% TC, 10% TC, and more than 10% TC. From all included patients, in the group with less than 10% TC, there were 10 cases, and only 5 of them(50%) showed HGSOC phenotype; 12 cases had equally 10% of TC, and 11 cases (92%) showed HGSOC phenotype; 20 cases had more than 10% TC and all of them (100%) confirmed the HGSOC immunophenotype from ascites. Only 33 patients were eligible for further BRCA1/2 analysis. Eleven BRCA1/2 mutations were detected from thetissue block: 6 germline and 5 somatic. In 2 cases with less than 10% TC, BRCA1/2 mutation was not detected; 4 cases had 10% TC, and 2 of them (50%) confirmed the mutation; 4 cases had more than 10% TC, and all showed 100% reliability with the tumor tissue. Conclusions: Cytology is a highly reliable method for determining the immunophenotype of HGSOC and BRCA1/2 mutation if more than 10% of tumor cells are present in the ascites. This may present an additional non-invasive clinical approach for fast and effective diagnose in the future, especially in inoperable conditions or relapses.

Keywords: cytology, ascites, high-grade serous ovarian cancer, immunophenotype, BRCA1/2

Procedia PDF Downloads 173