Search results for: approximation of derivatives

Authors: Zhenming Wang, Jun Zhu, Yuchen Yang, Ning Zhao

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In the present paper, an alternative framework is proposed to construct a class of finite difference multi-resolution nested weighted essentially non-oscillatory (WENO) schemes with an increasingly higher order of accuracy for solving inviscid Euler equations. These WENO schemes firstly obtain a set of reconstruction polynomials by a hierarchy of nested central spatial stencils, and then recursively achieve a higher order approximation through the lower-order precision WENO schemes. The linear weights of such WENO schemes can be set as any positive numbers with a requirement that their sum equals one and they will not pollute the optimal order of accuracy in smooth regions and could simultaneously suppress spurious oscillations near discontinuities. Numerical results obtained indicate that these alternative finite-difference multi-resolution nested WENO schemes with different accuracies are very robust with low dissipation and use as few reconstruction stencils as possible while maintaining the same efficiency, achieving the high-resolution property without any equivalent multi-resolution representation. Besides, its finite volume form is easier to implement in unstructured grids.

Keywords: finite-difference, WENO schemes, high order, inviscid Euler equations, multi-resolution

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Authors: Muhammad Mustaqeem, Musa Kaleem Baloch, Irfan Ullah, Ammarah Luqman, Afshan Ahmad

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Flurbiprofen is one of the most potent nonsteroidal anti-inflammatory drugs. It is widely used for relief of pain in patients suffering from rheumatic diseases, migraine, sore throat and primary dysmenorrhea. However, its aqueous solubility is very low and hinders the skin permeation. Thus, it is imperative to develop such a drug delivery systems which can improve its aqueous solubility and hence improve the skin permeation and therapeutic compliance. Microemulsions have been also proven to increase the cutaneous absorption of lipophilic drugs as compared to conventional vehicles. Micro-emulsion is thermodynamically stable emulsion that has the capacity to ‘hide/solubilize’ water-insoluble molecules within a continuous oil phase. Therefore, flurbiprofen was converted to Easters through chemical reactions with alcohols such as methanol, ethanol, propanol and butanol. The product was further treated with hydrazine to get hydrazide. The solubility of the parent drug Flurbiprofen and the products were solubilized in microemulsions formed using various surfactants like ionic, non-ionic and zwitterions. It has been concluded that the product was more soluble than the parent compound. The biological activities of these were also investigated. The outcome was very promising and the product was more active than the parent compound. It, therefore, concluded that in this way, we can not only enhance the solubility of the drug and increase its bioactivity, but also reduce the risk of stomach cancer.

Keywords: Flurbiprofen, microemulsion, surfactants, hyrazides

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Authors: Habila Nuhu

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Natural radionuclides in the environment can significantly contribute to human exposure to ionizing radiation. The knowledge of their levels in an environment can help the radiological protection agencies in policymaking. Measurement of natural radioactivity in major soils in the tin mining state of Perak Malaysia has been conducted using an HPGe detector. Seventy (70) soil samples were collected at widely distributed locations in the state. Six major soil types were sampled, and thirteen districts around the state were covered. The following were the results of the 226Ra (238U), 228Ra (232Th), and 40K activity in the soil samples: 226Ra (238U) has a mean activity concentration of 191.83 Bq kg⁻¹, more than five times the UNSCEAR reference limits of 35 Bq kg⁻¹. The mean activity concentration of 228Ra (232Th) with a value of 232.41 Bq kg⁻¹ is over seven times the UNSCEAR reference values of 30 Bq kg⁻¹. The average concentration of 40K activity was 275.24 Bq kg⁻¹, which was less than the UNSCEAR reference limit of 400 Bq Kg⁻¹. The range of external hazards index (Hₑₓ) values was from 1.03 to 2.05, while the internal hazards index (Hin) was from 1.48 to 3.08. The Hex and Hin should be less than one for minimal external and internal radiation threats as well as secure use of soil material for building construction. The Hₑₓ and Hin results generally indicate that while using the soil types and their derivatives as building materials in the study area, care must be taken.

Keywords: activity concentration, hazard index, soil samples, tin mining

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Authors: S. Assylbekova, D. Zolotareva, A. Dauletbakov, Ye. Belyankova, S. Bayazit, A. Basharimova, A. Zazybin, A. Isimberlenova, A. Kakimova, M. Aydemir, A. Kairullinova

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Transfer hydrogenation (TH) is a key process in organic chemistry, especially in pharmaceutical and agrochemical synthesis, offering a safer and more sustainable approach compared to traditional methods. This work is devoted to the synthesis and use of ruthenium catalysts containing phosphinite ligands in TH reactions. Ruthenium complexes are particularly noteworthy for their effectiveness in asymmetric TH. Their stability and adaptability to different reaction environments make them ideal for both laboratory-scale and industrial applications. Phosphinite ligands (P(OR)R'2) are used in the synthesis of complexes to improve their properties. These ligands are known for their ability to finely tune the electronic and steric properties of metal centers. The electron-donating nature of the phosphorus atom, combined with the variability in the R and R' groups, allows for significant customization of the catalyst's properties. The purpose and difference of the work is to study the incorporation of a hydrophilic ionic liquid into the composition of a phosphinite ligand, which will then be converted into a catalyst. The technique involves the synthesis of a phosphinite ligand with an ionic liquid at room temperature under an inert atmosphere and then a ruthenium complex. Next, the TH reactions of acetophenone and its derivatives are carried out using the resulting catalyst. The conversion of ketone to alcohol is analyzed using a gas chromatograph. This study contributes to the understanding of the influence of catalyst physico-chemical properties on transfer hydrogenation results.

Keywords: transfer hydrogenation, ruthenium, catalysts, phosphinite ligands

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Authors: Belkacem Ould Said, Nourddine Retiel, Abdelilah Benazza, Mohamed Aichouni

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In this paper, a numerical study of two-dimensional steady flow has been made of natural convection in a differentially heated vertical conical partially annular space. The heat transfer is assumed to take place by natural convection. The inner and outer surfaces of annulus are maintained at uniform wall temperature. The annulus is filled with air. The CFD FLUENT12.0 code is used to solve the governing equations of mass, momentum and energy using constant properties and the Boussinesq approximation for density variation. The streamlines and the isotherms of the fluid are presented for different annuli with different boundary conditions and Rayleigh numbers. Emphasis is placed on the influences of the height of the inner vertical cone on the flow and the temperature fields. In addition, the effects on the heat transfer are discussed for various values of physical parameters of the fluid and geometric parameters of the annulus. The heat transfer on the hot walls of the annulus is also calculated in order to make comparisons between the cylinder annulus for boundary conditions and several Rayleigh numbers. A good agreement of Nusselt number has been found between the present predictions and reference from the literature data.

Keywords: natural convection, heat transfer, numerical simulation, conical partially, annular space

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Authors: Jiyaul Haque, Vandana Srivastava, M. A. Quraishi

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The amino acids based corrosion inhibitors 2-(3-(carboxymethyl)-1H-imidazol-3-ium-1-yl) acetate (Z-1),2-(3-(1-carboxyethyl)-1H-imidazol-3-ium-1-yl) propanoate (Z-2) and 2-(3-(1-carboxy-2-phenylethyl)-1H-imidazol-3-ium-1-yl)-3- phenylpropanoate (Z-3) were synthesized by the reaction of amino acids, glyoxal and formaldehyde, and characterized by the FTIR and NMR spectroscopy. The corrosion inhibition performance of synthesized inhibitors was studied by electrochemical (EIS and PDP), surface and DFT methods. The results show, the studied Z-1, Z-2 and Z-3 are effective inhibitors, showed the maximum inhibition efficiency of 88.52 %, 89.48 and 96.08% at concentration 200ppm, respectively. The results of potentiodynamic polarization (PDP) study showed that Z-1 act as a cathodic inhibitor, while Z-2 and Z-3 act as mixed type inhibitors. The results of electrochemical impedance spectroscopy (EIS) studies showed that zwitterions inhibit the corrosion through adsorption mechanism. The adsorption of synthesized zwitterions on the mild steel surface was followed the Langmuir adsorption isotherm. The formation of zwitterions film on mild steel surface was confirmed by the scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDX). The quantum chemical parameters were used to study the reactivity of inhibitors and supported the experimental results. An inhibitor adsorption model is proposed.

Keywords: electrochemical impedance spectroscopy, green corrosion inhibitors, mild steel, SEM, quantum chemical calculation, zwitterions

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Authors: Jae Young Jang, Jong Hoon Ahn, Jae-Woong Lim, So Young Kang, Mi Kyeong Lee

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Rhus verniciflua is commonly known as a lacquer tree in Korea. Stem barks of R. verniciflua have been used as an immunostimulator in traditional medicine. It contains phenolic compounds and is known for diverse biological activities such as antioxidant and antimicrobial activity. However, it also causes allergic dermatitis due to urushiols derivatives. For the development of active natural resources with less toxicity, the content of phenolic compounds and urushiols of different parts of R. verniciflua such as stem barks, lignum and leaves were quantitated by colorimetric assay and HPLC analysis. The urushiols content were the highest in stem barks, and followed by leaves. The lignum contained trace amount of urushiols. The phenolic contents, however, were the most abundant in lignum, and followed by leaves and stem barks. These results clear showed that the content of urushiols and phenolic differs depending on the parts of R. verniciflua. Antimicrobial activity of different parts of R. verniciflua against fish pathogenic bacteria was also investigated using Edwardsiella tarda. Lignum of R. verniciflua was the most effective in antimicrobial activity against E. tarda and phenolic constituents are suggested to be active constituents for activity. Taken together, phenolic compounds are responsible for antimicrobial activity of R. verniciflua. The lignum of R. verniciflua contains high content of phenolic compounds with less urushiols, which suggests efficient antimicrobial activity with less toxicity. Therefore, lignum of R. verniciflua are suggested as good sources for antimicrobial activity against fish bacterial diseases.

Keywords: different parts, phenolic compounds, Rhus verniciflua, urushiols

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Authors: Alexandra Monteiro, K. Bousson, Fernando J. O. Moreira, Ricardo Reis

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Fixed-wing flying vehicles are usually controlled by means of control surfaces such as elevators, ailerons, and rudders. The failure of these systems may lead to severe or even fatal crashes. These failures resulted in increased popularity for research activities on propulsion control in the last decades. The present work deals with a hybrid control architecture in which the propulsion-controlled vehicle maintains its traditional control surfaces, addressing the issue of robust lateral-directional dynamics control. The challenges stem from the parameter uncertainties in the stability and control derivatives and some unknown terms in the flight dynamics model. Two approaches are implemented and tested: linear quadratic regulation with robustness characteristics and H∞ control. The problem is centered on roll-yaw controller design with full state-feedback, which is able to deal with a standalone propulsion control mode as well as a hybrid mode combining both propulsion control and conventional control surface concepts while maintaining the original flight maneuverability characteristics. The results for both controllers emphasized very good control performances; however, the H∞ controller showed higher stabilization rates and robustness albeit with a slightly higher control magnitude than using the linear quadratic regulator.

Keywords: robust propulsion control, h-infinity control, lateral-directional flight dynamics, parameter uncertainties

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Authors: Ayan Chakraborty, BV. Rathish Kumar

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Off-late many models in viscoelasticity, signal processing or anomalous diffusion equations are formulated in fractional calculus. Tempered fractional calculus is the generalization of fractional calculus and in the last few years several important partial differential equations occurring in the different field of science have been reconsidered in this term like diffusion wave equations, Schr$\ddot{o}$dinger equation and so on. In the present paper, a time-dependent tempered fractional diffusion equation of order $\gamma \in (0,1)$ with forcing function is considered. Existence, uniqueness, stability, and regularity of the solution has been proved. Crank-Nicolson discretization is used in the time direction. B spline finite element approximation is implemented. Generally, B-splines basis are useful for representing the geometry of a finite element model, interfacing a finite element analysis program. By utilizing this technique a priori space-time estimate in finite element analysis has been derived and we proved that the convergent order is $\mathcal{O}(h²+T²)$ where $h$ is the space step size and $T$ is the time. A couple of numerical examples have been presented to confirm the accuracy of theoretical results. Finally, we conclude that the studied method is useful for solving tempered fractional diffusion equations.

Keywords: B-spline finite element, error estimates, Gronwall's lemma, stability, tempered fractional

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Authors: Amal Ait El Djoudi

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A thermodynamical model of coexisting hadronic and quark–gluon plasma (QGP) phases is used to study the thermally driven deconfining phase transition occurring between the two phases. A color singlet partition function is calculated for the QGP phase with two massless quarks, as in our previous work, but now the finite extensions of the hadrons are taken into account in the equation of state of the hadronic phase. In the present work, the finite-size effects on the system are examined by probing the behavior of some thermodynamic quantities, called response functions, as order parameter, energy density and their derivatives, on a range of temperature around the transition at different volumes. It turns out that the finiteness of the system size has as effects the rounding of the transition and the smearing of all the singularities occurring in the thermodynamic limit, and the additional finite-size effect introduced by the requirement of exact color-singletness involves a shift of the transition point. This shift as well as the smearing of the transition region and the maxima of both susceptibility and specific heat show a scaling behavior with the volume characterized by scaling exponents. Another striking result is the large similarity noted between the behavior of these response functions and that of the cumulants of the probability density. This similarity is worked to try to extract information concerning the occurring phase transition.

Keywords: equation of state, thermodynamics, deconfining phase transition, quark–gluon plasma (QGP)

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Authors: Jaehyug Lee, Tae-Ho Song

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Vacuum insulation panel (VIP) can achieve very low thermal conductivity by evacuating its inner space. Heat transfer in the core materials of highly-evacuated VIP occurs by conduction through the solid structure and radiation through the pore. The effect of various scattering modes in combined conduction-radiation in VIP is investigated through numerical analysis. The discrete ordinates interpolation method (DOIM) incorporated with the commercial code FLUENT® is employed. It is found that backward scattering is more effective in reducing the total heat transfer while isotropic scattering is almost identical with pure absorbing/emitting case of the same optical thickness. For a purely scattering medium, the results agree well with additive solution with diffusion approximation, while a modified term is added in the effect of optical thickness to backward scattering is employed. For other scattering phase functions, it is also confirmed that backwardly scattering phase function gives a lower effective thermal conductivity. Thus, the materials with backward scattering properties, with radiation shields are desirable to lower the thermal conductivity of VIPs.

Keywords: combined conduction and radiation, discrete ordinates interpolation method, scattering phase function, vacuum insulation panel

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Authors: Rafiat Bolanle Fasasi-Hammed

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Cassava is an important food crop in rural households of Nigeria. It has a high potential for product diversification, because it can be processed into various products forms for human consumption and can be made into chips for farm animals, and also starch and starch derivatives. However, cassava roots are highly perishable and contain potentially toxic cyanogenic glycosides which necessitate its processing. Therefore, this study was carried out to assess information needs of cassava processors on food safety practices in Oyo State, Nigeria. Simple random sampling technique was used in the selection of 110 respondents for this study. Descriptive statistics and chi-square were used to analyze the data collected. Results of this study showed that the mean age of the respondents was 39.4 years, majority (78.7%) of the respondents was married, 51.9% had secondary education; 45.8% of the respondents have spent more than 12 years in cassava processing. The mean income realized was ₦26,347.50/month from cassava processing. Information on cassava processing got to the respondents through friends, family and relations (73.6%) and fellow cassava processors (58.6%). Serious constraints identified were ineffective extension agents (93.9%), food safety regulatory agencies (88.1%) and inadequate processing and storage facilities (67.8%). Chi-square results showed that significant relationship existed between socio-economic characteristics of the respondents (χ2 = 29.80, df = 2,), knowledge level (χ2 = 9.26, df = 4), constraints (χ2 = 13.11, df = 2) and information needs at p < 0.05 level of significance. The study recommends that there should be regular training on improved cassava processing methods for the cassava processors in the study area.

Keywords: information, needs, cassava, Oyo State, processing

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Authors: Katharigatta N. Venugopala, Melendhran Pillay, Bander E. Al-Dhubiab

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Tuberculosis (TB) infection is caused mainly by Mycobacterium tuberculosis (MTB) and it is one of the most threatening and wide spread infectious diseases in the world. Benzothiazole derivatives are found to have diverse chemical reactivity and broad spectrum of pharmacological activity. Some of the important pharmacological activities shown by the benzothiazole analogues are antitumor, anti-inflammatory, antimicrobial, anti-tubercular, anti-leishmanial, anticonvulsant and anti-HIV properties. Keeping all these facts in mind in the present investigation it was envisaged to synthesize a series of novel {2-(benzo[d]-thiazol-2-yl-methoxy)-substitutedaryl}-(substitutedaryl)-methanones (4a-f) and characterize by IR, NMR (1H and 13C), HRMS and single crystal x-ray studies. The title compounds are investigated for in vitro anti-tubercular activity against two TB strains such as H37Rv (ATCC 25177) and MDR-MTB (multi drug resistant MTB resistant to Isoniazid, Rifampicin and Ethambutol) by agar diffusion method. Among the synthesized compounds in the series, test compound {2-(benzo[d]thiazol-2-yl-methoxy)-5-fluorophenyl}-(4-chlorophenyl)-methanone (2c) was found to exhibit significant activity with MICs of 1 µg/mL and 2 µg/mL against H37Rv and MDR-MTB, respectively when compared to standard drugs. Single crystal x-ray studies was used to study intra and intermolecular interactions, including polymorphism behavior of the test compounds, but none of the compounds exhibited polymorphism behavior.

Keywords: benzothiazole analogues, characterization, crystallography, anti-TB activity

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Authors: Amel Souidi, S. Bentata, B. Bouadjemi, T. Lantri, Z. Aziz

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Perovskite materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we have investigated the structural, electronic and magnetic properties of double perovskites Ba2MnXO6 with X= Mo and W by using the full-potential linearized augmented plane wave (FP-LAPW) method based on Density Functional Theory (DFT) [1, 2] as implemented in the WIEN2K [3] code. The interchange-correlation potential was included through the generalized gradient approximation (GGA) [4] as well as taking into account the on-site coulomb repulsive interaction in (GGA+U) approach. We have analyzed the structural parameters, charge and spin densities, total and partial densities of states. The results show that the materials crystallize in the 225 space group (Fm-3m) and have a lattice parameter of about 7.97 Å and 7.95 Å for Ba2MnMoO6 and Ba2MnWO6, respectively. The band structures reveal a metallic ferromagnetic (FM) ground state in Ba2MnMoO6 and half-metallic (HM) ferromagnetic (FM) ground state in the Ba2MnWO6 compound, with total magnetic moment equal 2.9951μB (Ba2MnMoO6 ) and 4.0001μB (Ba2MnWO6 ). The GGA+U calculations predict an energy gap in the spin-up bands in Ba2MnWO6. So we estimate that this material with HM-FM nature implies a promising application in spin-electronics technology.

Keywords: double perovskites, electronic structure, first-principles, semiconductors

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Authors: R. Vidhya, M. Navamuniyammal M. Sivakumar, S. Reeta

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The unplanned urbanization affects the environment due to pollution, conditions of the atmosphere, decreased vegetation and the pervious and impervious soil surface. Considered to be a cumulative effect of all these impacts is the Urban Heat Island. In this paper, the urban heat island effect is studied for the Chennai city, TamilNadu, South India using satellite remote sensing data. LANDSAT 8 OLI and TIRS DATA acquired on 9th September 2014 were used to Land Surface Temperature (LST) map, vegetation fraction map, Impervious surface fraction, Normalized Difference Water Index (NDWI), Normalized Difference Building Index (NDBI) and Normalized Difference Vegetation Index (NDVI) map. The relationship among LST, Vegetation fraction, NDBI, NDWI, and NDVI was calculated. The Chennai city’s Urban Heat Island effect is significant, and the results indicate LST has strong negative correlation with the vegetation present and positive correlation with NDBI. The vegetation is the main factor to control urban heat island effect issues in urban area like Chennai City. This study will help in developing measures to land use planning to reduce the heat effects in urban area based on remote sensing derivatives.

Keywords: land surface temperature, brightness temperature, emissivity, vegetation index

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Authors: Yuan-Hsiang Chang, Pin-Chi Lin, Li-Der Jeng

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Advance in techniques of image and video processing has enabled the development of intelligent video surveillance systems. This study was aimed to automatically detect moving human objects and to analyze events of dual human interaction in a surveillance scene. Our system was developed in four major steps: image preprocessing, human object detection, human object tracking, and motion trajectory analysis. The adaptive background subtraction and image processing techniques were used to detect and track moving human objects. To solve the occlusion problem during the interaction, the Kalman filter was used to retain a complete trajectory for each human object. Finally, the motion trajectory analysis was developed to distinguish between the interaction and non-interaction events based on derivatives of trajectories related to the speed of the moving objects. Using a database of 60 video sequences, our system could achieve the classification accuracy of 80% in interaction events and 95% in non-interaction events, respectively. In summary, we have explored the idea to investigate a system for the automatic classification of events for interaction and non-interaction events using surveillance cameras. Ultimately, this system could be incorporated in an intelligent surveillance system for the detection and/or classification of abnormal or criminal events (e.g., theft, snatch, fighting, etc.).

Keywords: motion detection, motion tracking, trajectory analysis, video surveillance

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Authors: Lidija Simunovic

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A Close-out netting cause is a clause within master agreements which reduces credit risks. This clause contains the parties ' advance agreement that the occurrence of a certain event (such as the commencement of bankruptcy proceedings) will result in the termination of the contract and that their mutual claims will be calculated as a net lump-sum to be paid by one party to the other. The legal treatment of the enforceability of close-out netting clauses opens up many legal matters in comparative legal systems because it is not uniformly treated in comparative laws. Certain legal systems take a liberal approach and allow the enforcement of close-out netting clauses. Others are much stricter, and they limit or completely prohibit the enforcement of close-out netting clauses through the mandatory provisions of their national bankruptcy laws. The author analyzes the concept of close-out netting clauses in selected comparative legal systems and examines the differences in their legal treatment by using the historical, analytical, and comparative method. It results that special treatment of the close-out netting in national laws with a liberal approach is often forced by financial industry lobbies and introduced in national laws without the justified reasons. Contrary to that in legal systems with limited or prohibited approach on close-out netting the uncertain enforceability of the close-out netting clause causes potential credit risks. The detected discrepancy on the national legal treatment and national financial markets regarding close-out netting lead to the conclusion to author’s best knowledge that is not possible to use any national model of close-out netting as a role model which perfectly fits all.

Keywords: close-out netting clauses, derivatives, insolvency, offsetting

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Authors: Yik Ling Chew, Adlina Maisarah Mahadi, Joo Kheng Goh

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Bauhinia kockiana originates from Peninsular Malaysia, and it is grown as a garden ornamental plant. However, it is used as medicinal plant by Malaysia ‘Kelabit’ ethic group in treating various diseases and illnesses. This study focused on the assessment of the antibacterial activity of B. kockiana towards MRSA, to purify and identify the antibacterial compounds, and to determine the mechanism of antibacterial activity. Antibacterial activity of B. kockiana flower is evaluated qualitatively and quantitatively using disc diffusion assay and microbroth dilution method to determine the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of extracts. Phytochemical analysis is performed to determine the classes of phytochemicals in the extracts. Bioactivity-guided isolation is performed to purify the antibacterial agents and identified the chemical structures via various spectroscopy methods. Scanning electron microscopy (SEM) technique is adopted to evaluate the antibacterial mechanism of extract and compounds isolated. B. kockiana flower is found to exhibit fairly strong antibacterial activity towards both strains of MRSA bacteria. Gallic acid and its ester derivatives are purified from ethyl acetate extract and the antibacterial activity is evaluated. SEM has revealed the mechanism of the extracts and compounds isolated.

Keywords: alkyl gallates, Bauhinia kockiana, MRSA, scanning electron microscopy

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Authors: Waranya Pongpaiboon, Warangkana Srichamnong, Supat Chaiyakul

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Enzymatic modification of rice flour can produce highly functional derivatives use in food industries. This study aimed to evaluate the physical properties and resistant starch content of rice flour residues hydrolyzed by α-amylase. Rice flour hydrolyzed by α-amylase (60 and 300 u/g) for 1, 24 and 48 hours were investigated. Increasing enzyme concentration and hydrolysis time resulted in decreased rice flour residue’s lightness (L*) but increased redness (a*) and yellowness (b*) of rice flour residues. The resistant starch content and peak viscosity increased when hydrolysis time increased. Pasting temperature, trough viscosity, breakdown, final viscosity, setback and peak time of the hydrolyzed flours were not significantly different (p>0.05). The morphology of native flour was smooth without observable pores and polygonal with sharp angles and edges. However, after hydrolysis, granules with a slightly rough and porous surface were observed and a rough and porous surface was increased with increasing hydrolyzed time. The X-ray diffraction patterns of native flour showed A-type configuration, which hydrolyzed flour showed almost 0% crystallinity indicated that both amorphous and crystalline structures of starch were simultaneously hydrolyzed by α-amylase.

Keywords: α-Amylase, enzymatic hydrolysis, pasting properties, resistant starch

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Authors: Meriem Harmel, Houari Khachai

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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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Authors: Bilal Murtaza, Xiaoyu Li, Liming Dong, Muhammad Kashif Saleemi, Gen Li, Bowen Jin, Lili Wang, Yongping Xu

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Fusarium spp. produce numerous mycotoxins, such as zearalenone (ZEN), deoxynivalenol (DON), and its acetylated compounds, 3-acetyl-deoxynivalenol (3-ADON) and 15-acetyl-deoxynivalenol (15-ADON) (15-ADON). In a co-culture system, the soil-derived Escherichia marmotae strain degrades ZEN and DON into 3-keto-DON and DOM-1 via enzymatic deep-oxidation. When pure mycotoxins were subjected to Escherichia marmotae in culture flasks, degradation, and detoxification were also attained. DON and ZEN concentrations, ambient pH, incubation temperatures, bacterium concentrations, and the impact of acid treatment on degradation were all evaluated. The results of the ELISA and high-performance liquid chromatography-electrospray ionization-high resolution mass spectrometry (HPLC-ESI-HRMS) tests demonstrated that the concentration of mycotoxins exposed to Escherichia marmotae was significantly lower than the control. ZEN levels were reduced by 43.9%, while zearalenone sulfate ([M/z 397.1052 C18H21O8S1) was discovered as a derivative of ZEN converted by microbes to a less toxic molecule. Furthermore, Escherichia marmotae appeared to metabolize DON 35.10% into less toxic derivatives (DOM-1 at m/z 281 of [DON - O]+ and 3-keto-DON at m/z 295 of [DON - 2H]+). These results show that Escherichia marmotae can reduce Fusarium mycotoxins production, degrade pure mycotoxins, and convert them to less harmful compounds, opening up new possibilities for study and innovation in mycotoxin detoxification.

Keywords: mycotoxins, zearalenone, deoxynivalenol, bacterial degradation

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Authors: K. Zehouani, I. Oldal

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Purpose: In the human knee joint, degenerative joint disease may happen with time. The standard treatment of this disease is the total knee replacement through prosthesis implanting. The reason lies in the fact that this phenomenon causes different material abrasion as compare to pure sliding or rolling alone. This study focuses on developing a knee prosthesis geometry, which fulfills the mechanical and kinematical requirements. Method: The MSC ADAMS program is used to describe the rotation of the human knee joint as a function of flexion, and to investigate how the flexion and rotation movement changes between the condyles of a multi-body model of the knee prosthesis as a function of flexion angle (in the functional arc of the knee (20-120º)). Moreover, the multi-body model with identical boundary conditions is constituted, and the numerical simulations are carried out using the MSC ADAMS program system. Results: It is concluded that the use of the multi-body model reduces time and cost since it does not need to manufacture the tibia and the femur as it requires for the knee prosthesis of the test machine. Moreover, without measuring or by dispensing with a test machine for the knee prosthesis geometry, approximation of the results of our model to a human knee is carried out directly. Conclusion: The pattern obtained by the multi-body model provides an insight for future experimental tests related to the rotation and flexion of the knee joint concerning the actual average and friction load.

Keywords: biomechanics, knee joint, rotation, flexion, kinematics, MSC ADAMS

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Authors: Om Prakash Bharti, Aanchal Verma, R. K. Saket

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The Doubly-Fed Induction Generator (DFIG) is suggested for Wind Energy Conversion System (WECS) to extract wind power. DFIG is preferably employed due to its robustness towards variable wind and rotor speed. DFIG has the adaptable property because the system parameters are smoothly dealt with, including real power, reactive power, DC-link voltage, and the transient and dynamic responses, which are needed to analyze constantly. The analysis becomes more prominent during any unusual condition in the electrical power system. Hence, the study and improvement in the system parameters and transient response performance of DFIG are required to be accomplished using some controlling techniques. For fulfilling the task, the present work implements and compares the optimization methods for the design of the DFIG controller for WECS. The bio-inspired optimization techniques are applied to get the optimal controller design parameters for DFIG-based WECS. The optimized DFIG controllers are then used to retrieve the transient response performance of the six-order DFIG model with a step input. The results using MATLAB/Simulink show the betterment of the Firefly algorithm (FFA) over other control techniques when compared with the other controller design methods.

Keywords: doubly-fed induction generator, wind turbine, wind energy conversion system, induction generator, transfer function, proportional, integral, derivatives

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

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Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

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Authors: Seyed Sadegh Naseralavi, Sadegh Balaghi, Ehsan Khojastehfar

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Time history dynamic analysis of structures is considered as an exact method while being computationally intensive. Filtration of earthquake strong ground motions applying wavelet transform is an approach towards reduction of computational efforts, particularly in optimization of structures against seismic effects. Wavelet transforms are categorized into continuum and discrete transforms. Since earthquake strong ground motion is a discrete function, the discrete wavelet transform is applied in the present paper. Wavelet transform reduces analysis time by filtration of non-effective frequencies of strong ground motion. Filtration process may be repeated several times while the approximation induces more errors. In this paper, strong ground motion of earthquake has been filtered once applying each wavelet. Strong ground motion of Northridge earthquake is filtered applying various wavelets and dynamic analysis of sampled shear and moment frames is implemented. The error, regarding application of each wavelet, is computed based on comparison of dynamic response of sampled structures with exact responses. Exact responses are computed by dynamic analysis of structures applying non-filtered strong ground motion.

Keywords: wavelet transform, computational error, computational duration, strong ground motion data

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Authors: Chanh Nghia Nguyen, Yu Kurokawa, Hirotsugu Inoue

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The surface roughness is an important parameter for evaluating the quality of material surfaces since it affects functions and performance of industrial components. Although stylus and optical techniques are commonly used for measuring the surface roughness, they are applicable only to accessible surfaces. In practice, surface roughness measurement from the back side is sometimes demanded, for example, in inspection of safety-critical parts such as inner surface of pipes. However, little attention has been paid to the measurement of back surface roughness so far. Since back surface is usually inaccessible by stylus or optical techniques, ultrasonic technique is one of the most effective among others. In this research, an ultrasonic pulse-echo technique is considered for evaluating the pitch and the height of back surface having periodic triangular profile as a very first step. The pitch of the surface profile is measured by applying the diffraction grating theory for oblique incidence; then the height is evaluated by numerical analysis based on the Kirchhoff theory for normal incidence. The validity of the proposed method was verified by both numerical simulation and experiment. It was confirmed that the pitch is accurately measured in most cases. The height was also evaluated with good accuracy when it is smaller than a half of the pitch because of the approximation in the Kirchhoff theory.

Keywords: back side, inaccessible surface, periodic roughness, pulse-echo technique, ultrasonic NDE

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Authors: Gautam Kumar Saharia, Sagardeep Talukdar, Riki Dutta, Sudipta Nandy

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The physics-informed neural network (PINN) method opens up an approach for numerically solving nonlinear partial differential equations leveraging fast calculating speed and high precession of modern computing systems. We construct the PINN based on a strong universal approximation theorem and apply the initial-boundary value data and residual collocation points to weekly impose initial and boundary conditions to the neural network and choose the optimization algorithms adaptive moment estimation (ADAM) and Limited-memory Broyden-Fletcher-Golfard-Shanno (L-BFGS) algorithm to optimize learnable parameter of the neural network. Next, we improve the PINN with a weighted loss function to obtain both the bright and dark soliton solutions of the Fokas-Lenells equation (FLE). We find the proposed scheme of adjustable weight coefficients into PINN has a better convergence rate and generalizability than the basic PINN algorithm. We believe that the PINN approach to solve the partial differential equation appearing in nonlinear optics would be useful in studying various optical phenomena.

Keywords: deep learning, optical soliton, physics informed neural network, partial differential equation

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Authors: Desissa Yadeta Muleta

Abstract:

Purely organic long-persistent luminescence materials (OLPLMs) have been developed as emerging organic materials due to their simple production process, low preparation cost and better biocompatibilities. Notably, OLPLMs with afterglow-time-tunable long-persistent luminescence (LPL) characteristics enable higher-level protection applications and have great prospects in biological applications. The realization of these advanced performances depends on our ability to gradually tune LPL duration under ambient conditions, however, the strategies to achieve this are few due to the lack of unambiguous mechanisms. Here, we propose a two-step strategy to gradually tune LPL duration of OLPLMs over a wide range of seconds in water and air, by using derivatives as the guest and introducing a third-party material into the host-immobilized host–guest doping system. Based on this strategy, we develop an analysis method for deoxyribonucleic acid (DNA) content detection without DNA separation in aqueous samples, which circumvents the influence of the chromophore, fluorophore and other interferents in vivo, enabling a certain degree of in situ detection that is difficult to achieve using today’s methods. This work will expedite the development of afterglow-time-tunable OLPLMs and expand new horizons for their applications in data protection, bio-detection, and bio-sensing

Keywords: deoxyribonucliec acid, long persistent luminescent materials, water, air

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Authors: Ermelinda Bloise, Giuseppe Mele

Abstract:

In recent years, Cashew Nut Shell Liquid (CNSL) has received great attention from researchers because it is an abundant waste material from the agri-food industry that fits perfectly into the idea of reusing waste from renewable resources for the production of new functional materials. The different components of this waste showed a certain chemical versatility and, above all, various biological activities. Take advantage of their surface-active capacity in particular conditions, various amphiphilic nanostructures have been prepared through sustainable chemical processes using cardanol (CA) and anacardic acid (AA) as two main components of the CNSL. In-batch solvent-free method has been developed to obtain new versatile green nanovesicles capable of effectively incorporating and stabilizing both hydrophobic and hydrophilic bioactive molecules. Furthermore, these nanosystems have shown antioxidant and cytotoxic properties and, in vitroinvestigations, established that they efficiently taken-up some human cells. With the idea of meeting the principles of green chemistry, even more, some improvements of the synthetic procedure have been implemented in terms of milder temperature and pH conditions, producing one-component nanovesicles, in which the AA and CA-derivatives are the sole building block of the green nanosystems. Finally, a new experimental approach has been carried out by a microfluidic route, with the advantage to operate at continuous flows, with a reduced amount of reagents, waste, and at lower temperatures, ensuring the achievement of size-monodisperse amphiphilic nanostructures that do not need further purification steps.

Keywords: bioactive nanosystems, bio-based renewables, cashew oil, green nanoformulations

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Authors: Nuraddeen Usman, Khiruddin Abdullah, Mohd Nawawi, Amin Khalil Ismail

Abstract:

A magnetic survey is carried out in order to locate the remains of construction items, specifically concrete pillars. The conventional Euler deconvolution technique can perform the task but it requires the use of fixed structural index (SI) and the construction items are made of materials with different shapes which require different SI (unknown). A Euler deconvolution technique that estimate background, horizontal coordinate (xo and yo), depth and structural index (SI) simultaneously is prepared and used for this task. The synthetic model study carried indicated the new methodology can give a good estimate of location and does not depend on magnetic latitude. For field data, both the total magnetic field and gradiometer reading had been collected simultaneously. The computed vertical derivatives and gradiometer readings are compared and they have shown good correlation signifying the effectiveness of the method. The filtering is carried out using automated procedure, analytic signal and other traditional techniques. The clustered depth solutions coincided with the high amplitude/values of analytic signal and these are the possible target positions of the concrete pillars being sought. The targets under investigation are interpreted to be located at the depth between 2.8 to 9.4 meters. More follow up survey is recommended as this mark the preliminary stage of the work.

Keywords: concrete pillar, magnetic survey, geotechnical investigation, Euler Deconvolution

Procedia PDF Downloads 238