Search results for: graph spectra

Authors: Rilwan Kayode Apalowo, Dimitrios Chronopoulos

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An approach for identifying the geometric and material characteristics of layered composite structures through an inverse wave and finite element methodology is proposed. These characteristics are obtained through multi-frequency single shot measurements. However, it is established that the frequency regime of the measurements does not matter, meaning that both ultrasonic and structural dynamics frequency spectra can be employed. Taking advantage of a full FE (finite elements) description of the periodic composite, the scheme is able to account for arbitrarily complex structures. In order to demonstrate the robustness of the presented scheme, it is applied to a sandwich composite panel and results are compared with that of experimental characterization techniques. Excellent agreement is obtained with the experimental measurements.

Keywords: structural identification, non-destructive evaluation, finite elements, wave propagation, layered structures, ultrasound

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Authors: Subhojyoti Chatterjee, Peter J. Mahon, Feng Wang

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Resveratrol (RvL), a phenolic compound, is a key ingredient in wine and tomatoes that has been studied over the years because of its important bioactivities such as anti-oxidant, anti-aging and antimicrobial properties. Out of the two isomeric forms of resveratrol i.e. trans and cis, the health benefit is primarily associated with the trans form. Thus, studying the structural properties of the isomers will not only provide an insight into understanding the RvL isomers, but will also help in designing parameters for differentiation in order to achieve 99.9% purity of trans-RvL. In the present study, density function theory (DFT) study is conducted, using the B3LYP/6-311++G** model to explore the through bond and through space intramolecular interactions. Properties such as vibrational spectroscopy (IR and Raman), nuclear magnetic resonance (NMR) spectra, excess orbital energy spectrum (EOES), energy based decomposition analyses (EDA) and Fukui function are calculated. It is discovered that the structure of trans-RvL, although it is C1 non-planar, the backbone non-H atoms are nearly in the same plane; whereas the cis-RvL consists of two major planes of R1 and R2 that are not in the same plane. The absence of planarity gives rise to a H-bond of 2.67Å in cis-RvL. Rotation of the C(5)-C(8) single bond in trans-RvL produces higher energy barriers since it may break the (planar) entire conjugated structure; while such rotation in cis-RvL produces multiple minima and maxima depending on the positions of the rings. The calculated FT-IR spectrum shows very different spectral features for trans and cis-RvL in the region 900 – 1500 cm-1, where the spectral peaks at 1138-1158 cm-1 are split in cis-RvL compared to a single peak at 1165 cm-1 in trans-RvL. In the Raman spectra, there is significant enhancement of cis-RvL in the region above 3000cm-1. Further, the carbon chemical environment (13C NMR) of the RvL molecule exhibit a larger chemical shift for cis-RvL compared to trans-RvL (Δδ = 8.18 ppm) for the carbon atom C(11), indicating that the chemical environment of the C group in cis-RvL is more diverse than its other isomer. The energy gap between highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) is 3.95 eV for trans and 4.35 eV for cis-RvL. A more detailed inspection using the recently developed EOES revealed that most of the large energy differences i.e. Δεcis-trans > ±0.30 eV, in their orbitals are contributed from the outer valence shell. They are MO60 (HOMO), MO52-55 and MO46. The active sites that has been captured by Fukui function (f + > 0.08) are associated with the stilbene C=C bond of RvL and cis-RvL is more active at these sites than in trans-RvL, as cis orientation breaks the large conjugation of trans-RvL so that the hydroxyl oxygen’s are more active in cis-RvL. Finally, EDA highlights the interaction energy (ΔEInt) of the phenolic compound, where trans is preferred over the cis-RvL (ΔΔEi = -4.35 kcal.mol-1) isomer. Thus, these quantum mechanics results could help in unwinding the diversified beneficial activities associated with resveratrol.

Keywords: resveratrol, FT-IR, Raman, NMR, excess orbital energy spectrum, energy decomposition analysis, Fukui function

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Authors: Abolfazl Bezaatpour, Sahar Khatami

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Fe3O4 nanoparticles were prepared by the co-precipitation method and silica was then coated on the magnetic nanoparticles followed by modification with (3-aminopropyl) trimethoxysilane. Then, dioxomolybdenum(VI) Schiff base complex of N,N′-bis(5-chloromethyl-salicylidine)-1,2-phenylenediamine) was immobilized on the surface of magnetic nanoparticles as a heterogeneous catalyst. The catalyst was identified by scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM), X-ray diffraction, IR spectroscopy, diffuse reflectance spectra and atomic absorption spectroscopy techniques. The catalyst shows excellent catalytic activity in epoxidation of olefins using tert-butylhydroperoxide in 1,2-dichloroethane. In this report, the supported complex exhibited 100% selectivity for epoxidation with 100% conversion for cyclooctene. Nanocatalyst can be easily recovered by a magnetic field and reused for subsequent reactions for at least 5 times with less deterioration in catalytic activity.

Keywords: dioxomolybdenum (VI), epoxidation, nanocatalysis, nanoparticles, Schiff base

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Authors: N. Najafi, Laleh Maleknia , M. E. Olya

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An aqueous conductive ink of single-walled carbon nanotubes for inkjet printing was formulated. To prepare the homogeneous SWCNT ink in a size small enough not to block a commercial inkjet printer nozzle, we used a kinetic ball-milling process to disperse the SWCNTs in an aqueous suspension. When a patterned electrode was overlaid by repeated inkjet printings of the ink on various types of fabric, the fabric resistance decreased rapidly following a power law, reaching approximately 760 X/sq, which is the lowest value ever for a dozen printings. The Raman and Fourier transform infrared spectra revealed that the oxidation of the SWCNTs was the source of the doped impurities. This study proved also that the droplet ejection velocity can have an impact on the CNT distribution and consequently on the electrical performances of the ink.

Keywords: ink-jet printing, carbon nanotube, fabric ink, cotton fabric, raman spectroscopy, fourier transform infrared spectroscopy, dozen printings

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Authors: Guohua Cao, Xu Dong

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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

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Authors: Michel Soto Chalhoub

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Building code-related literature provides recommendations on normalizing approaches to the calculation of the dynamic properties of structures. Most building codes make a distinction among types of structural systems, construction material, and configuration through a numerical coefficient in the expression for the fundamental period. The period is then used in normalized response spectra to compute base shear. The typical parameter used in simplified code formulas for the fundamental period is overall building height raised to a power determined from analytical and experimental results. However, reinforced concrete buildings which constitute the majority of built space in less developed countries pose additional challenges to the ones built with homogeneous material such as steel, or with concrete under stricter quality control. In the present paper, the particularities of reinforced concrete buildings are explored and related to current methods of equivalent static analysis. A comparative study is presented between the Uniform Building Code, commonly used for buildings within and outside the USA, and data from the Middle East used to model 151 reinforced concrete buildings of varying number of bays, number of floors, overall building height, and individual story height. The fundamental period was calculated using eigenvalue matrix computation. The results were also used in a separate regression analysis where the computed period serves as dependent variable, while five building properties serve as independent variables. The statistical analysis shed light on important parameters that simplified code formulas need to account for including individual story height, overall building height, floor plan, number of bays, and concrete properties. Such inclusions are important for reinforced concrete buildings of special conditions due to the level of concrete damage, aging, or materials quality control during construction. Overall results of the present analysis show that simplified code formulas for fundamental period and base shear may be applied but they require revisions to account for multiple parameters. The conclusion above is confirmed by the analytical model where fundamental periods were computed using numerical techniques and eigenvalue solutions. This recommendation is particularly relevant to code upgrades in less developed countries where it is customary to adopt, and mildly adapt international codes. We also note the necessity of further research using empirical data from buildings in Lebanon that were subjected to severe damage due to impulse loading or accelerated aging. However, we excluded this study from the present paper and left it for future research as it has its own peculiarities and requires a different type of analysis.

Keywords: seismic behaviour, reinforced concrete, simplified code formulas, equivalent static analysis, base shear, response spectra

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Authors: Anna Krukowska, Tomasz Klimczuk, Adriana Zaleska-Medynska

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Photoactive materials have attracted attention due to their potential application in the degradation of environmental pollutants to non-hazardous compounds in an eco-friendly route. Among semiconductor photocatalysts, tantalates such as potassium tantalate (KTaO3) is one of the excellent functional photomaterial. However, tantalates-based materials are less active under visible-light irradiation, the enhancement in photoactivity could be improved with the modification of opto-eletronic properties of KTaO3 by doping rare earth metal (Er) and further photodeposition of noble metal nanoparticles (Pt). Inclusion of rare earth element in orthorhombic structure of tantalate can generate one high-energy photon by absorbing two or more incident low-energy photons, which convert visible-light and infrared-light into the ultraviolet-light to satisfy the requirement of KTaO3 photocatalysts. On the other hand, depositions of noble metal nanoparticles on the surface of semiconductor strongly absorb visible-light due to their surface plasmon resonance, in which their conducting electrons undergo a collective oscillation induced by electric field of visible-light. Furthermore, the high dispersion of Pt nanoparticles, which will be obtained by photodeposition process is additional important factor to improve the photocatalytic activity. The present work is aimed to study the effect of photocatalytic process of the prepared Er-doped KTaO3 and further incorporation of Pt nanoparticles by photodeposition. Moreover, the research is also studied correlations between photocatalytic activity and physico-chemical properties of obtained Pt/Er-KTaO3 samples. The Er-doped KTaO3 microcomposites were synthesized by a hydrothermal method. Then photodeposition method was used for Pt loading over Er-KTaO3. The structural and optical properties of Pt/Er-KTaO3 photocatalytic were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), volumetric adsorption method (BET), UV-Vis absorption measurement, Raman spectroscopy and luminescence spectroscopy. The photocatalytic properties of Pt/Er-KTaO3 microcomposites were investigated by degradation of phenol in aqueous phase as model pollutant under visible and ultraviolet-light irradiation. Results of this work show that all the prepared photocatalysis exhibit low BET surface area, although doping of the bare KTaO3 with rare earth element (Er) presents a slight increase in this value. The crystalline structure of Pt/Er-KTaO3 powders exhibited nearly identical positions for the main peak at about 22,8o and the XRD pattern could be assigned to an orthorhombic distorted perovskite structure. The Raman spectra of obtained semiconductors confirmed demonstrating perovskite-like structure. The optical absorption spectra of Pt nanoparticles exhibited plasmon absorption band for main peaks at about 216 and 264 nm. The addition of Pt nanoparticles increased photoactivity compared to Er-KTaO3 and pure KTaO3. Summary optical properties of KTaO3 change with its doping Er-element and further photodeposition of Pt nanoparticles.

Keywords: heterogeneous photocatalytic, KTaO3 photocatalysts, Er3+ ion doping, Pt photodeposition

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Authors: Ashish Kumar, Tejendra Dixit, I. A. Palani, Vipul Singh

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Zinc oxide, with its interesting properties such as large band gap (3.37eV), high exciton binding energy (60 meV) and intense UV absorption has been studied in literature for various applications viz. optoelectronics, biosensors, UV-photodetectors etc. The performance of ZnO devices is highly influenced by morphologies, size, crystallinity of the ZnO active layer and processing conditions. Recently, our group has shown the influence of the in situ addition of KMnO4 in the precursor solution during the hydrothermal growth of ZnO nanorods (NRs) on their near band edge (NBE) emission. In this paper, we have investigated the effect of post-growth annealing on the variations in NBE and deep level (DL) emissions of as grown ZnO nanorods. These observed results have been explained on the basis of X-ray Diffraction (XRD) and Raman spectroscopic analysis, which clearly show that improved crystalinity and quantum confinement in ZnO nanorods.

Keywords: ZnO, nanorods, hydrothermal, KMnO4

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Authors: A. Suparmi, C. Cari, M. Yunianto, B. N. Pratiwi

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D-dimensional Dirac equations of q-deformed shape invariant potentials were solved using supersymmetric quantum mechanics (SUSY QM) in the case of exact spin symmetry. The D dimensional radial Dirac equation for shape invariant potential reduces to one-dimensional Schrodinger type equation by an appropriate variable and parameter change. The relativistic energy spectra were analyzed by using SUSY QM and shape invariant properties from radial D dimensional Dirac equation that have reduced to one dimensional Schrodinger type equation. The SUSY operator was used to generate the D dimensional relativistic radial wave functions, the relativistic energy equation reduced to the non-relativistic energy in the non-relativistic limit.

Keywords: D-dimensional dirac equation, non-central potential, SUSY QM, radial wave function

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Authors: Ahmed Hashim, Aseel Abdullah

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In this work, the fracture toughness of new green composite based on bio-PMMA resin reinforced with randomly short corn natural fiber of constant weight fraction by 10% wt was investigated. The corn fiber surface was modified by mercerization treatment with two different concentrations of sodium hydroxide (3, and 5% NaOH) for 1.5 and 3 hours respectively. The effect of mercerization treatment on the fracture behavior of the green composites was analyzed by FTIR spectra. NaOH concentration of 3% for 1.5 hrs. That was used for corn fiber green composite should the highest improvement in terms of plane strain fracture toughness KIC which increased by 62 % compared to untreated fiber composite material. On the other hand, increased both concentrations of alkali solution to 5% NaOH and time of soaking to 3 hrs. reduced the values of KIC lower than the value of the unfilled material.

Keywords: green composites, fracture toughness, corn natural fiber, bio-PMMA

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Authors: Junling Li, Fang Meng, Yichun Zhang

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Image saliency detection has been long studied, while several challenging problems are still unsolved, such as detecting saliency inaccurately in complex scenes or suppressing salient objects in the image borders. In this paper, we propose a new saliency detection algorithm in order to solving these problems. We represent the image as a graph with superixels as nodes. By considering appearance similarity between the boundary and the background, the proposed method chooses non-saliency boundary nodes as background priors to construct the background probability model. The probability that each node belongs to the model is computed, which measures its similarity with backgrounds. Thus we can calculate saliency by the transformed probability as a metric. We compare our algorithm with ten-state-of-the-art salient detection methods on the public database. Experimental results show that our simple and effective approach can attack those challenging problems that had been baffling in image saliency detection.

Keywords: visual saliency, background probability, boundary knowledge, background priors

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Authors: Nan Xu

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In airlines, the crew scheduling problem is usually decomposed into two stages: crew pairing and crew rostering. In the crew pairing stage, pairings are generated such that each flight is covered by exactly one pairing and the overall cost is minimized. In the crew rostering stage, the pairings generated in the crew pairing stage are combined with off days, training and other breaks to create individual work schedules. The paper focuses on cabin crew rostering problem, which is challenging due to the extremely large size and the complex working rules involved. In our approach, the objective of rostering consists of two major components. The first is to minimize the number of unassigned pairings and the second is to ensure the fairness to crew members. There are two measures of fairness to crew members, the number of overnight duties and the total fly-hour over a given period. Pairings should be assigned to each crew member so that their actual overnight duties and fly hours are as close to the expected average as possible. Deviations from the expected average are penalized in the objective function. Since several small deviations are preferred than a large deviation, the penalization is quadratic. Our model of the airline crew rostering problem is based on column generation. The problem is decomposed into a master problem and subproblems. The mater problem is modeled as a set partition problem and exactly one roster for each crew is picked up such that the pairings are covered. The restricted linear master problem (RLMP) is considered. The current subproblem tries to find columns with negative reduced costs and add them to the RLMP for the next iteration. When no column with negative reduced cost can be found or a stop criteria is met, the procedure ends. The subproblem is to generate feasible crew rosters for each crew member. A separate acyclic weighted graph is constructed for each crew member and the subproblem is modeled as resource constrained shortest path problems in the graph. Labeling algorithm is used to solve it. Since the penalization is quadratic, a method to deal with non-additive shortest path problem using labeling algorithm is proposed and corresponding domination condition is defined. The major contribution of our model is: 1) We propose a method to deal with non-additive shortest path problem; 2) Operation to allow relaxing some soft rules is allowed in our algorithm, which can improve the coverage rate; 3) Multi-thread techniques are used to improve the efficiency of the algorithm when generating Line-of-Work for crew members. Here a column generation based algorithm for the airline cabin crew rostering problem is proposed. The objective is to assign a personalized roster to crew member which minimize the number of unassigned pairings and ensure the fairness to crew members. The algorithm we propose in this paper has been put into production in a major airline in China and numerical experiments show that it has a good performance.

Keywords: aircrew rostering, aircrew scheduling, column generation, SPPRC

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Authors: Daniel Sava, Dragos Gudovan, Iulia Alexandra Gudovan, Ioana Ardelean, Maria Sonmez, Denisa Ficai, Laurentia Alexandrescu, Ecaterina Andronescu

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Graphene and graphene oxide have been intensively studied due to the very good properties, which are intrinsic to the material or come from the easy doping of those with other functional groups. Graphene and graphene oxide have known a broad band of useful applications, in electronic devices, drug delivery systems, medical devices, sensors and opto-electronics, coating materials, sorbents of different agents for environmental applications, etc. The board range of applications does not come only from the use of graphene or graphene oxide alone, or by its prior functionalization with different moieties, but also it is a building block and an important component in many composite devices, its addition coming with new functionalities on the final composite or strengthening the ones that are already existent on the parent product. An attempt to improve the mechanical properties of polyamide elastomers by compounding with graphene oxide in the parent polymer composition was attempted. The addition of the graphene oxide contributes to the properties of the final product, improving the hardness and aging resistance. Graphene oxide has a lower hardness and textile strength, and if the amount of graphene oxide in the final product is not correctly estimated, it can lead to mechanical properties which are comparable to the starting material or even worse, the graphene oxide agglomerates becoming a tearing point in the final material if the amount added is too high (in a value greater than 3% towards the parent material measured in mass percentages). Two different types of tests were done on the obtained materials, the hardness standard test and the tensile strength standard test, and they were made on the obtained materials before and after the aging process. For the aging process, an accelerated aging was used in order to simulate the effect of natural aging over a long period of time. The accelerated aging was made in extreme heat. For all materials, FT-IR spectra were recorded using FT-IR spectroscopy. From the FT-IR spectra only the bands corresponding to the polyamide were intense, while the characteristic bands for graphene oxide were very small in comparison due to the very small amounts introduced in the final composite along with the low absorptivity of the graphene backbone and limited number of functional groups. In conclusion, some compositions showed very promising results, both in tensile strength test and in hardness tests. The best ratio of graphene to elastomer was between 0.6 and 0.8%, this addition extending the life of the product. Acknowledgements: The present work was possible due to the EU-funding grant POSCCE-A2O2.2.1-2013-1, Project No. 638/12.03.2014, code SMIS-CSNR 48652. The financial contribution received from the national project ‘New nanostructured polymeric composites for centre pivot liners, centre plate and other components for the railway industry (RONERANANOSTRUCT)’, No: 18 PTE (PN-III-P2-2.1-PTE-2016-0146) is also acknowledged.

Keywords: graphene, graphene oxide, mechanical properties, dopping effect

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Authors: Fengjuan Wang, Azilawati Jamaludin

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Developmental Dyscalculia (DD) is defined as a particular learning difficulty with continuous challenges in learning requisite math skills that cannot be explained by intellectual disability or educational deprivation. Recent studies have increasingly recognized that DD is a heterogeneous, instead of monolithic, learning disorder with not only cognitive and behavioral deficits but so too neural dysfunction. In recent years, neuroimaging studies employed group comparison to explore the neural underpinnings of DD, which contradicted the heterogenous nature of DD and may obfuscate critical individual differences. This research aimed to investigate the neural heterogeneity of DD using case studies with functional near-infrared spectroscopy (fNIRS). A total of 54 aged 6-7 years old of children participated in this study, comprising two comprehensive cognitive assessments, an 8-minute resting state, and an 8-minute one-digit addition task. Nine children met the criteria of DD and scored at or below 85 (i.e., the 16th percentile) on the Mathematics or Math Fluency subtest of the Wechsler Individual Achievement Test, Third Edition (WIAT-III) (both subtest scores were 90 and below). The remaining 45 children formed the typically developing (TD) group. Resting-state data and brain activation in the inferior frontal gyrus (IFG), superior frontal gyrus (SFG), and intraparietal sulcus (IPS) were collected for comparison between each case and the TD group. Graph theory was used to analyze the brain network under the resting state. This theory represents the brain network as a set of nodes--brain regions—and edges—pairwise interactions across areas to reveal the architectural organizations of the nervous network. Next, a single-case methodology developed by Crawford et al. in 2010 was used to compare each case’s brain network indicators and brain activation against 45 TD children’s average data. Results showed that three out of the nine DD children displayed significant deviation from TD children’s brain indicators. Case 1 had inefficient nodal network properties. Case 2 showed inefficient brain network properties and weaker activation in the IFG and IPS areas. Case 3 displayed inefficient brain network properties with no differences in activation patterns. As a rise above, the present study was able to distill differences in architectural organizations and brain activation of DD vis-à-vis TD children using fNIRS and single-case methodology. Although DD is regarded as a heterogeneous learning difficulty, it is noted that all three cases showed lower nodal efficiency in the brain network, which may be one of the neural sources of DD. Importantly, although the current “brain norm” established for the 45 children is tentative, the results from this study provide insights not only for future work in “developmental brain norm” with reliable brain indicators but so too the viability of single-case methodology, which could be used to detect differential brain indicators of DD children for early detection and interventions.

Keywords: brain activation, brain network, case study, developmental dyscalculia, functional near-infrared spectroscopy, graph theory, neural heterogeneity

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Authors: Woo Young Jung, Bu Seog Ju

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This study described the seismic performance evaluation of bridge structures, located near Daegu metropolitan city in Korea. The structural design code or regulatory guidelines is focusing on the protection of brittle failure or collapse in bridges’ lifetime during an earthquake. This paper illustrated the procedure in terms of the safety evaluation of bridges using simple linear elastic 3D Finite Element (FE) model in ABAQUS platform. The design response spectra based on KBC 2009 were then developed, in order to understand the seismic behavior of bridge structures. Besides, the multiple directional earthquakes were applied and it revealed that the most dominated earthquake direction was transverse direction of the bridge. Also, the bridge structure under the compressive stress was more fragile than the tensile stress and the vertical direction of seismic ground motions was not significantly affected to the structural system.

Keywords: seismic, bridge, FEM, evaluation, numerical analysis

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Authors: S. Chandrasekaran, S. Nandita, M. Shivathmika, Srikrishnan Shivakumar

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The objective of the research work is to analyze the computational chemical-composition of carbohydrates in the context of healthcare informatics. The computation involves the representation of complex chemical molecular structure of carbohydrate using graph theory and in a deployable Chemical Markup Language (CML). The parallel molecular structure of the chemical molecules with or without other adulterants for the sake of business profit can be analyzed in terms of robustness and derivatization measures. The rural healthcare program should create awareness in malnutrition to reduce ill-effect of decomposition and help the consumers to know the level of such energy storage mixtures in a quantitative way. The earlier works were based on the empirical and wet data which can vary from time to time but cannot be made to reuse the results of mining. The work is carried out on the quantitative computational chemistry on carbohydrates to provide a safe and secure right to food act and its regulations.

Keywords: carbohydrates, chemical-composition, chemical markup, robustness, food safety

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Authors: Draoua Zohra, Harrane Amine

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The Solid Polymeric Materials have been successfully prepared by the copolymerization of e-caprolactone (CL) and poly (ethylene glycol) (PEG) employing Maghnite-H+ at 80°C. Maghnite-H+ is a solid catalyst non-toxic. The presence of PEG chains leads to a break in the growth of PCL chains and consequently leads to the copolymer tri-block PCL-PEG-PCL. The objective of this study was to synthesize and characterize of Solid Polymeric Materials. The highly hydrophilic nature of polyethylene glycol has sparked our interest in developing a Solid Polymeric based e-caprolactone and poly (ethylene glycol). PCL and PEG are biocompatible materials. Their ring-opening copolymerization using Maghnite H+ makes to the Solid Polymeric Materials. The morphology and structure of Solid polymeric Materials were characterized by ¹H and ¹³C-NMR spectra and Gel Permeation Chromatography (GPC). This paper developed the application of Maghnite-H+ as an efficient catalyst by an easy-to-handle procedure to get solid polymeric materials. A cationic mechanism for the copolymerization reaction was proposed.

Keywords: block copolymers, maghnite, montmorillonite, poly(e-caprolactone)

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Authors: Prashant Shrivastava

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The purpose of this study is to explore re3dat.org registry to identify research data repositories registration workflow process. Further objective is to depict a graph for present development of research data repositories in India. Preliminarily with an approach to understand re3data.org registry framework and schema design then further proceed to explore the status of research data repositories of India in re3data.org registry. Research data repositories are getting wider relevance due to e-research concepts. Now available registry re3data.org is a good tool for users and researchers to identify appropriate research data repositories as per their research requirements. In Indian environment, a compatible National Research Data Policy is the need of the time to boost the management of research data. Registry for Research Data Repositories is a crucial tool to discover specific information in specific domain. Also, Research Data Repositories in India have not been studied. Re3data.org registry and status of Indian research data repositories both discussed in this study.

Keywords: research data, research data repositories, research data registry, re3data.org

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Authors: Masoud Charkhabi

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We examine trade theory with this motivation. The full set of World Trade Organization data are organized into country-year pairs, each treated as a different entity. Topological Data Analysis reveals that among the 16 region and 240 region-year pairs there exists in fact a distinguishable group of region-period pairs. The generally accepted periods of shifts from dissimilar-dissimilar to similar-similar trade in goods among regions are examined from this new perspective. The period breaks are treated as cumulative and are flexible. This type of all-subsets analysis is motivated from computer science and is made possible with Lossy Compression and Graph Theory. The results question many patterns in similar-similar to dissimilar-dissimilar trade. They also show indications of economic shifts that only later become evident in other economic metrics.

Keywords: econometrics, globalization, network science, topological data, analysis, trade theory, visualization, world trade

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Authors: Jose L. Oliver, Taras Agryzkov, Leandro Tortosa, Jose F. Vicent, Javier Santacruz

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This paper aims to demonstrate how a topological study of an urban street network can be used as a tool to be applied to some heritage conservation areas in a city. In the last decades, we find different kinds of approaches in the discipline of Architecture and Urbanism based in the so-called Sciences of Complexity. In this context, this paper uses mathematics from the Network Theory. Hence, it proposes a methodology based in obtaining information from a graph, which is created from a network of urban streets. Then, it is used an algorithm that establishes a ranking of importance of the nodes of that network, from its topological point of view. The results are applied to a heritage area in a particular city, confronting the data obtained from the mathematical model, with the ones from the field work in the case study. As a result of this process, we may conclude the necessity of implementing some actions in the area, and where those actions would be more effective for the whole heritage site.

Keywords: graphs, heritage cities, spatial analysis, urban networks

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Authors: Asmaa M. Hussein, Amr Wassal, Ahmed Farouk Al-Sadek, A. F. Abd El-Rahman

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In this study, a multivariate analysis of potato spectroscopic data was presented to detect the presence of brown rot disease or not. Near-Infrared (NIR) spectroscopy (1,350-2,500 nm) combined with multivariate analysis was used as a rapid, non-destructive technique for the detection of brown rot disease in potatoes. Spectral measurements were performed in 565 samples, which were chosen randomly at the infection place in the potato slice. In this study, 254 infected and 311 uninfected (brown rot-free) samples were analyzed using different advanced statistical analysis techniques. The discrimination performance of different multivariate analysis techniques, including classification, pre-processing, and dimension reduction, were compared. Applying a random forest algorithm classifier with different pre-processing techniques to raw spectra had the best performance as the total classification accuracy of 98.7% was achieved in discriminating infected potatoes from control.

Keywords: Brown rot disease, NIR spectroscopy, potato, random forest

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Authors: Hamid Merzouk, Dajhida Talantikite, Amel Tounsi

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Thin films of ZnS have been deposited by chemical route into acidic medium. The deposition time fixed at 5 hours, and the bath temperature varied from 80° C to 95°C with an interval of 5°C. The X-ray diffraction (XRD), UV/ visible spectrophotometry, Fourier Transform Infrared spectroscopy (FTIR) have been used to study the effect of temperature on the structural and optical properties of ZnS thin films. The XRD spectrum of the ZnS layer obtained shows an increase of peaks intensity of ZnS with increasing bath temperature. The study of optical properties exhibit good transmittance (60–80% in the visible region), and the band gap energy of the ZnS thin film decrease from 3.71 eV to 3.64 eV while the refractive index (n) increase with increasing temperature bath. The FTIR analyze confirm our studies and show characteristics bands of vibration of Zn-S.

Keywords: ZnS thin films, XRD spectra, optical gap, XRD

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Authors: Rupali Mane

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Cadmium sulfide (Cds) thin films were chemically deposited at room temperature, from aqueous ammonia solution using CdCl₂ (Cadmium chloride) as a Cd²⁺ and CS(NH₂)₂ (Thiourea) as S² ion sources. ‘as-deposited’ films were uniform, well adherent to the glass substrate, secularly reflective and yellowish in color. The ‘as-deposited ’Cds layers grew with nano-crystalline in nature and exhibit cubic structure, with blue-shift in optical band gap. The films were annealed in air atmosphere for two hours at different temperatures and further characterized for compositional, structural, morphological and optical properties. The XRD and SEM studies clearly revealed the systematic changes in morphological and structural form of Cds films with an improvement in the crystal quality. The annealed films showed ‘red-shift’ in the optical spectra after thermal treatment. The Thiourea modified CdS film could be good to provide solar cell application.

Keywords: cadmium sulfide, thin films, nano-crystalline, XRD

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Authors: Khaled Alshammari

Abstract:

Ciprofloxacin (CIP) is a common antibiotic drug used as a strudy electron donor that interacts with dynamic π -acceptors such as 2,3-dinitrosalsylic acid (HDNS) and Tetracyanoethylene (TCNE) for synthesizing a new model of charge transfer (CT) complexes. The synthesized complexes were identified using diverse analytical methods such as UV–vis spectra, photometric titration measurements, FT-IR, HNMR Spectroscopy, and thermogravimetric analysis techniques (TGA/DTA). The stoichiometries for all the formed complexes were found to be a 1:1 M ratio between the reactants. The characteristic spectroscopic properties such as transition dipole moment (µ), oscillator strength (f), formation constant (KCT), ionization potential (ID), standard free energy (∆G), and energy of interaction (ECT) for the CT-complexes were collected. The developed CT complexes were tested for their toxicity on main organs, antimicrobial activity, antioxidant activity, and biofilm formation.

Keywords: biological, biofilm, toxicity, thermal analysis, charge transfer, spectroscopy

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Authors: M. M. Sadeghi, S. Vahdani

Abstract:

Masonry dome structures had been widely used for covering large spans in the past. The seismic assessment of these historical structures is very complicated due to the nonlinear behavior of the material, their rigidness, and special stability configuration. The assessment method based on energy balance concept, as well as the standard pushover analysis, is used to evaluate the effectiveness of these methods in the case of masonry dome structures. The Soltanieh dome building is used as an example to which two methods are applied. The performance points are given from superimposing the capacity, and demand curves in Acceleration Displacement Response Spectra (ADRS) and energy coordination are compared with the nonlinear time history analysis as the exact result. The results show a good agreement between the dynamic analysis and the energy balance method, but standard pushover method does not provide an acceptable estimation.

Keywords: energy balance method, pushover analysis, time history analysis, masonry dome

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Authors: Josef Slapal

Abstract:

Digital images are approximations of real ones and, therefore, to be able to study them, we need the digital plane Z2 to be equipped with a convenient structure that behaves analogously to the Euclidean topology on the real plane. In particular, it is required that such a structure allows for a digital analogue of the Jordan curve theorem. We introduce certain adjacency graphs on the digital plane and prove digital Jordan curves for them thus showing that the graphs provide convenient structures on Z2 for the study and processing of digital images. Further convenient structures including the wellknown Khalimsky and Marcus-Wyse adjacency graphs may be obtained as quotients of the graphs introduced. Since digital Jordan curves represent borders of objects in digital images, the adjacency graphs discussed may be used as background structures on the digital plane for solving the problems of digital image processing that are closely related to borders like border detection, contour filling, pattern recognition, thinning, etc.

Keywords: digital plane, adjacency graph, Jordan curve, quotient adjacency

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Authors: C. Venkataraman B. E., J. Nagarajan B. E., V. Srinivasan M. Tech

Abstract:

For a better understanding on sulfide stress corrosion cracking, a theoretical approach based on crystal structure, molecule behavior, flow of electrons and electrochemical reaction is developed. Its impact on different materials such as carbon steel, low alloy, alloy for sour (H2S) environments is studied. This paper describes the theories on various disaster and failures occurred in the industry by Stress Corrosion Cracking (SCC). Parameters such as pH of process fluid, partial pressure of CO2, O2, Chlorine, effect of internal pressure (crystal structure deformation by stress), and external environment condition are considered. An analytical line graph is then created for process fluid parameter verses time, temperature, induced/residual stress due to local pressure build-up. By comparison with the load test result of NACE and ASTM, it is possible to predict and simplify the control of SCC by use of materials like ferritic, Austenitic material in the oil and gas & petroleum industries.

Keywords: crystal structure deformation, failure assessment, alloy-environment combination, H2S

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Authors: Hee-Jeong Ahn, Kee-Won Kim, Seung-Hoon Kim

Abstract:

The knowledge of the relationship between characters can help readers to understand the overall story or plot of the literary fiction. In this paper, we present a method for extracting the specific relationship between characters from a Korean literary fiction. Generally, methods for extracting relationships between characters in text are statistical or computational methods based on the sentence distance between characters without considering Korean linguistic features. Furthermore, it is difficult to extract the relationship with direction from text, such as one-sided love, because they consider only the weight of relationship, without considering the direction of the relationship. Therefore, in order to identify specific relationships between characters, we propose a statistical method considering linguistic features, such as syntactic patterns and speech verbs in Korean. The result of our method is represented by a weighted directed graph of the relationship between the characters. Furthermore, we expect that proposed method could be applied to the relationship analysis between characters of other content like movie or TV drama.

Keywords: data mining, Korean linguistic feature, literary fiction, relationship extraction

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Authors: Yongxu Fu, Shaolong Wan

Abstract:

We study the band degeneracy, defectiveness, as well as exceptional points of non-Hermitian systems and materials analytically. We elaborate on the energy bands, the band degeneracy, and the defectiveness of eigenstates under open boundary conditions based on developing a general theory of one-dimensional (1D) non-Hermitian systems. We research the presence of the exceptional points in a generalized non-Hermitian Su-Schrieffer-Heeger model under open boundary conditions. Beyond our general theory, there exist infernal points in 1D non-Hermitian systems, where the energy spectra under open boundary conditions converge on some discrete energy values. We study two 1D non-Hermitian models with the existence of infernal points. We generalize the infernal points to the infernal knots in four-dimensional non-Hermitian systems.

Keywords: non-hermitian, degeneracy, defectiveness, exceptional points, infernal points

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Authors: Zhibo Xiao, Tharini Nayanika de Silva, Kezhi Mao

Abstract:

In this paper, we present an evolving knowledge extraction system named AKEOS (Automatic Knowledge Extraction from Online Sources). AKEOS consists of two modules, including a one-time learning module and an evolving learning module. The one-time learning module takes in user input query, and automatically harvests knowledge from online unstructured resources in an unsupervised way. The output of the one-time learning is a structured vector representing the harvested knowledge. The evolving learning module automatically schedules and performs repeated one-time learning to extract the newest information and track the development of an event. In addition, the evolving learning module summarizes the knowledge learned at different time points to produce a final knowledge vector about the event. With the evolving learning, we are able to visualize the key information of the event, discover the trends, and track the development of an event.

Keywords: evolving learning, knowledge extraction, knowledge graph, text mining

Procedia PDF Downloads 458