Search results for: fresh state properties

Authors: Thidaya Thitiapichart

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The effect of additional magnesium oxide (MgO) was investigated by using the tungsten oxide supported on silica catalyst (WOx/SiO2) physically mixed with MgO in a weight ratio 1:1. The both fresh and spent catalysts were characterized by FT-Raman spectrometer, UV-Vis spectrometer, X-Ray diffraction (XRD), and temperature programmed oxidation (TPO). The results indicated that the additional MgO could enhance the conversion of trans-2-butene due to isomerization reaction. However, adding MgO would increase the amount of coke deposit on the WOx/SiO2 catalyst. The TPO profile presents two peaks when the WOx/SiO2 catalyst was physically mixed with MgO. The further peak was suggested to be coming from the coke precursor that could be produced by isomerization reaction of the undesired product. Then, the occurred coke precursor could deposit and form coke on the acid catalyst.

Keywords: coke formation, metathesis, magnesium oxide, physically mix

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Authors: A. Abada, S. Hiadsi, T. Ouahrani, B. Amrani, K. Amara

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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of some Co2- based full Heusler alloys, namely Co2ZrGe and Co2NbB. The calculations show that these compounds are to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 µB per formula unit, well consistent with the Slater-Pauling rule. Our calculations show indirect band gaps of 0.58 eV and 0.47 eV in the minority spin channel of density of states (DOS) for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half metallicity is found to be robust against volume changes and the two alloys kept a 100% of spin polarization at the Fermi level. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronics field.

Keywords: half-metallic ferromagnets, full Heusler alloys, magnetic properties, electronic properties

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Authors: Imdat Taymaz, Erman Aslan, Kemal Cakir

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The Lattice Boltzmann Method (LBM) is performed to computationally investigate the laminar flow and heat transfer of an incompressible fluid with constant material properties in a 2D channel with a built-in triangular prism. Both momentum and energy transport is modelled by the LBM. A uniform lattice structure with a single time relaxation rule is used. Interpolation methods are applied for obtaining a higher flexibility on the computational grid, where the information is transferred from the lattice structure to the computational grid by Lagrange interpolation. The flow is researched on for different Reynolds number, while Prandtl number is keeping constant as a 0.7. The results show how the presence of a triangular prism effects the flow and heat transfer patterns for the steady-state and unsteady-periodic flow regimes. As an evaluation of the accuracy of the developed LBM code, the results are compared with those obtained by a commercial CFD code. It is observed that the present LBM code produces results that have similar accuracy with the well-established CFD code, as an additionally, LBM needs much smaller CPU time for the prediction of the unsteady phonema.

Keywords: laminar forced convection, lbm, triangular prism

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Authors: Mehmet Ekici

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In this study, the fading time affecting the mechanical properties and microstructures of vermicular cast iron were studied. Pig iron and steel scrap weighing about 12 kg were charged into the high-frequency induction furnace crucible and completely melted for production of vermicular cast iron. The slag was skimmed using a common flux. After fading time was set at 1. 3 and 5 minutes. In this way, three vermicular cast iron was produced that same composition but different phase structures. The microstructure of specimens was investigated, and uni-axial tensile test and the Charpy impact test were performed, and their micro-hardness measurements were done in order to characterize the mechanical behaviours of vermicular cast iron.

Keywords: vermicular cast iron, fading time, hardness, tensile test and impact test

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Authors: D. Olszewska, J. Niewiedzial

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In some types of Li-ion batteries carbon in the form of graphite is used. Unfortunately, carbon materials, in particular graphite, have very good electrochemical properties, but increase their volume during charge/discharge cycles, which may even lead to an explosion of the cell. The cell element may be replaced by a composite material consisting of lithium-titanium oxide Li4Ti5O12 (LTO) modified with copper and nickel ions and carbon derived from sucrose. This way you can improve the conductivity of the material. LTO is appropriate only for applications which do not require high energy density because of its high operating voltage (ca. 1.5 V vs. Li/Li+). Specific capacity of Li4Ti5O12 is high enough for utilization in Li-ion batteries (theoretical capacity 175 mAh·g-1) but it is lower than capacity of graphite anodes. Materials based on Li4Ti5O12 do not change their volume during charging/discharging cycles, however, LTO has low conductivity. Another positive aspect of the use of sucrose in the carbon composite material is to eliminate the addition of carbon black from the anode of the battery. Therefore, the proposed materials contribute significantly to environmental protection and safety of selected lithium cells. New anode materials in order to obtain Li3.8Cu0.1Ni0.1Ti5O12 have been prepared by solid state synthesis using three-way: i) stoichiometric composition of Li2CO3, TiO2, CuO, NiO (A- Li3.8Cu0.1Ni0.1Ti5O12); ii) stoichiometric composition of Li2CO3, TiO2, Cu(NO3)2, Ni(NO3)2 (B-Li3.8Cu0.1Ni0.1Ti5O12); and iii) stoichiometric composition of Li2CO3, TiO2, CuO, NiO calcined with 10% of saccharose (Li3.8Cu0.1Ni0.1Ti5O12-C). Structure of materials was studied by X-ray diffraction (XRD). The electrochemical properties were performed using appropriately prepared cell Li|Li+|Li3.8Cu0.1Ni0.1Ti5O12 for cyclic voltammetry and discharge/charge measurements. The cells were periodically charged and discharged in the voltage range from 1.3 to 2.0 V applying constant charge/discharge current in order to determine the specific capacity of each electrode. Measurements at various values of the charge/discharge current (from C/10 to 5C) were carried out. Cyclic voltammetry investigation was carried out by applying to the cells a voltage linearly changing over time at a rate of 0.1 mV·s-1 (in the range from 2.0 to 1.3 V and from 1.3 to 2.0 V). The XRD method analyzes show that composite powders were obtained containing, in addition to the main phase, 4.78% and 4% TiO2 in A-Li3.8Cu0.1Ni0.1O12 and B-Li3.8Cu0.1Ni0.1O12, respectively. However, Li3.8Cu0.1Ni0.1O12-C material is three-phase: 63.84% of the main phase, 17.49 TiO2 and 18.67 Li2TiO3. Voltammograms of electrodes containing materials A-Li3.8Cu0.1Ni0.1O12 and B-Li3.8Cu0.1Ni0.1O12 are correct and repeatable. Peak cathode occurs for both samples at a potential approx. 1.52±0.01 V relative to a lithium electrode, while the anodic peak at potential approx. 1.65±0.05 V relative to a lithium electrode. Voltammogram of Li3.8Cu0.1Ni0.1Ti5O12-C (especially for the first measurement cycle) is not correct. There are large variations in values of specific current, which are not characteristic for materials LTO. From the point of view of safety and environmentally friendly production of Li-ion cells eliminating soot and applying Li3.8Cu0.1Ni0.1Ti5O12-C as an active material of an anode in lithium-ion batteries seems to be a good alternative to currently used materials.

Keywords: anode, Li-ion batteries, Li₄O₅O₁₂, spinel

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Authors: A. K. Paul, Vinod Kumar

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Lead free magnetoelectric (ME) nanoparticulate (1−x) BNT-BKT-BMgT−x CFO (x = 0, 0.1, 0.2, 0.3) composite films were synthesized using chemical solution deposition method. The X-ray diffraction and transmission electron microscope (TEM) reveal that CFO nanoparticles were well distributed in the matrix of BNT-BKT-BMgT. The nanocomposite films exhibit both good magnetic and ferroelectric properties at room temperature (R-T). It is concluded that the modulation in compositions of piezomagnetic/piezoelectric components plays a fundamental role in the magnetoelectric coupling in these nanoparticulate composite films. These ME composites provide a great opportunity as potential lead-free systems for ME devices.

Keywords: lead free multiferroic, nanocomposite, ferroelectric, ferromagnetic and magneto-electric properties

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Authors: Julia Gurol

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Why do we observe a shift towards convergence in EU-China security interests? While contradicting attitudes towards key principles of inter-state and region-to-state relations, including state sovereignty, territorial integrity, and intervention policies have ever since hindered EU-China inter-regional cooperation beyond the economic realm, collaboration in peace and security issues is now becoming a key pillar of European-Chinese relations. In addition, the Belt and Road Initiative as most ambitious Chinese foreign policy project explicitly touches upon several European foreign policy and security preferences. Based on these counterintuitive findings, this paper traces the process of convergence of Sino-European security interests. Drawing on qualitative text analysis of official Chinese and European policy papers and documents from the establishment of diplomatic relations in 1975 until today, it assesses the striking change over time. On this basis, the paper uses theories of neo-functionalism, inter-regionalism, and securitization and borrows from constructivist views in International Relations’ theory, to expound possible motives for the change in Chinese and respectively European preferences in the security realm. The results reveal interesting insights into the decisive factors and motives behind both countries’ foreign policies. The paper concludes with a discussion of further potential and difficulties of EU-China security cooperation.

Keywords: belt and road initiative, China, European Union, foreign policy, neo-functionalism, security

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Authors: Krishna Kistan Govender, Alex Masianoga

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The aim of this explanatory study was to critically understand how ethical leadership impacts employee creative behaviour, as well as the creative behaviour dimensions, in a South African transport and logistics SOE. A quantitative study was conducted using a pre-developed questionnaire, and data for 160 middle and executive managers was analysed through structural equation modelling and multiple regression techniques conducted with the Smart PLS statistical software. All five hypothesized relationships were supported, and it was confirmed that ethical leadership has a significant positive influence on employee creative behaviour, as well as on each of the creative behaviour dimensions, namely: idea exploration, idea generation, idea championing, and idea implementation.

Keywords: ethical leaders, employee creative behaviour, state-owned enterprises, South Africa

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Authors: Tanios Saliba, Jad Wakim, Elie Awwad

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Clayey soils exhibit undesirable problems in civil engineering project: poor bearing soil capacity, shrinkage, cracking, …etc. On the other hand, the increasing production of bottom ash and its disposal in an eco-friendly manner is a matter of concern. Soil stabilization using bottom ash is a new technic in the geo-environmental engineering. It can be used wherever a soft clayey soil is encountered in foundations or road subgrade, instead of using old technics such as cement-soil mixing. This new technology can be used for road embankments and clayey foundations platform (shallow or deep foundations) instead of replacing bad soil or using old technics which aren’t eco-friendly. Moreover, applying this new technic in our geotechnical engineering projects can reduce the disposal of the bottom ash problem which is getting bigger day after day. The research consists of mixing clayey soil with different percentages of bottom ash at different values of water content, and evaluates the mechanical properties of every mix: the percentages of bottom ash are 10% 20% 30% 40% and 50% with values of water content of 25% 35% and 45% of the mix’s weight. Before testing the different mixes, clayey soil’s properties were determined: Atterbeg limits, soil’s cohesion and friction angle and particle size distribution. In order to evaluate the mechanical properties and behavior of every mix, different tests are conducted: -Direct shear test in order to determine the cohesion and internal friction angle of every mix. -Unconfined compressive strength (stress strain curve) to determine mix’s elastic modulus and compressive strength. Soil samples are prepared in accordance with the ASTM standards, and tested at different times, in order to be able to emphasize the influence of the curing period on the variation of the mix’s mechanical properties and characteristics. As of today, the results obtained are very promising: the mix’s cohesion and friction angle vary in function of the bottom ash percentage, water content and curing period: the cohesion increases enormously before decreasing for a long curing period (values of mix’s cohesion are larger than intact soil’s cohesion) while internal friction angle keeps on increasing even when the curing period is 28 days (the tests largest curing period), which give us a better soil behavior: less cracks and better soil bearing capacity.

Keywords: bottom ash, Clayey soil, mechanical properties, tests

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Authors: Aliaa M. S. Salem, Soliman I. El-Hout, Amira Gaber, Hassan Nageh

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Nowadays, the development of poisonous gas detectors is considered to be an urgent matter to secure human health and the environment from poisonous gases, in view of the fact that even a minimal amount of poisonous gas can be fatal. Of these concerns, various inorganic or organic sensing materials have been used. Among these are conducting polymers, have been used as the active material in the gassensorsdue to their low-cost,easy-controllable molding, good electrochemical properties including facile fabrication process, inherent physical properties, biocompatibility, and optical properties. Moreover, conducting polymer-based chemical sensors have an amazing advantage compared to the conventional one as structural diversity, facile functionalization, room temperature operation, and easy fabrication. However, the low selectivity and conductivity of conducting polymers motivated the doping of it with varied materials, especially graphene, to enhance the gas-sensing performance under ambient conditions. There were a number of approaches proposed for producing polymer/ graphene nanocomposites, including template-free self-assembly, hard physical template-guided synthesis, chemical, electrochemical, and electrospinning...etc. In this work, we aim to prepare a novel gas sensordepending on Electrospun nanofibers of conducting polymer/RGO composite that is the effective and efficient expectation of poisonous gases like ammonia, in different application areas such as environmental gas analysis, chemical-,automotive- and medical industries. Moreover, our ultimate objective is to maximize the sensing performance of the prepared sensor and to check its recovery properties.

Keywords: electro spinning process, conducting polymer, polyaniline, polypyrrole, polythiophene, graphene oxide, reduced graphene oxide, functionalized reduced graphene oxide, spin coating technique, gas sensors

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Authors: Amal Aljohani, Ahmed Iraqi

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Emitting materials with thermally activated delayed fluorescence (TADF) properties as the third generation of organic light-emitting diodes (OLEDs) have received much attention as a modern class of highly efficient emitters because such properties enable the harvesting of both singlet and triplet excitons in EL applications without the doping with complexes of scarce noble metals such as platinum and iridium. Improved molecular design of TADF molecules and applied materials exhibiting internal electroluminescence (EL) with quantum efficiencies of nearly 100% has been achieved being. A2B3 hyperbranched polymers based on new derivatives containing silane core units serving as host materials for thermally activated delayed fluorescence (TADF) guest molecules have been designed and synthesized through several steps, including the synthesis of tetrakis(4-bromophenyl)silane, bis(4-(9H-carbazol-9-yl)phenyl)bis(4-bromophenyl)silane,bis(4-(9H-carbazol-9 yl)phenyl)bis(4-methoxyphenyl)silane and bis(4-(9H-carbazol-9-yl)phenyl)bis(4hydroxyphenyl)silane. This monomer has been used successfully used along with 1,1,1-tri-(p-tosyloxymethyl)-propane to prepare A2B3 hyperbranched polymers via step-growth polymerization. The characterization and the properties of these new host polymers will be presented and discussed in this contribution.

Keywords: carbazole, organic light emitting diodes, thermally activated delayed fluorescence, donor-acceptor, host and guest interaction

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Authors: Olurankinse Felix

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Local governments in Ondo State Nigeria are the third tier of government saddled with the responsibility of providing governance and economic services at the grassroots. To be able to do this, the Constitution of the Federal Republic of Nigeria provided that a proportion of Federation Account be allocated to them in addition to their internally generated revenue. From the allocation and other incidental sources of revenue, the local governments are expected to provide basic infrastructures and other social amenities to better the lots of the rural dwellers. Nevertheless, local governments’ performances in terms of provision of social amenities are without questioning and quite not encouraging. Assessing the performance of local governments in this period of dearth and scarcity of resources is highly indispensable more so that the activities of local governments’ staff are bedeviled and characterized with fraud, corruption and mismanagement. Considering the direct impact of the consequences of their action on the living standard of the rural dwellers therefore calls for the need to evaluate their level of performances using capital budgeting approach. The paper being a time series study adopts the survey design. Data were obtained through secondary source mainly from the Annual financial statements and publication of approved budgets estimates covering the period of study (2008-2012). The use of ratio analysis was employed in analyzing the comparative level of performances of the local governments under study. The result of the study shows that less than 30% of the local governments were able to harness the budgetary allocation to provide amenities to the beneficiaries while majority of the local governments were involved in unethical conduct ranging from theft of fund, corruption, diversion of funds and extra-budgetary activities. Also, there is poor internally generated revenue to complement the statutory allocation and besides, the monthly withholding of larger portions of local government share by the state in the name of joint account were also seen as contributory factors. The study recommends the need for transparency and accountability in public fund management through the oversight function of the state house of assembly. Also local government should be made to be autonomous and independent of the state by jettisoning the idea of joint account.

Keywords: performance, transparency and accountability, capital budgeting, joint account, local government autonomy

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Authors: Alok Raghav, Jamal Ahmad

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Background: Serum albumin glycation and advanced glycation end products (AGE) formation correlates in diabetes and its associated complications. Extensive modified human serum albumin is used to study the biochemical, electrochemical and functional properties in hyperglycemic environment with relevance to diabetes. We evaluate Spectroscopic, side chain modifications, amino acid analysis, biochemical and functional group properties in four glucose modified samples. Methods: A series four human serum albumin samples modified with glucose was characterized in terms of amino acid analysis, spectroscopic properties and side chain modifications. The diagnostic technique employed incorporates UV Spectroscopy, Fluorescence Spectroscopy, biochemical assays for side chain modifications, amino acid estimations. Conclusion: Glucose modified human serum albumin confers AGE formation causes biochemical and functional property that depend on the reactivity of glucose and its concentration used for in-vitro glycation. A biochemical and functional characterization of modified albumin in-vitro produced AGE product that will be useful to interpret the complications and pathophysiological significance in diabetes.

Keywords: glycation, diabetes, human serum albumin, biochemical and electrochemical characterization

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Authors: Huraizah Arshad, Maizan Baba

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Malaysia is the country that consists of high population of Muslim community with more than 60%; as reported in year 2014. The stability of economy allowed people to contribute towards ongoing charity such as waqf and infaq. Waqf is an important component of the Islamic economic instruments since it is beneficial to help those needy in the community. Although waqf had been implemented in Malaysia for many years, there is no specific framework on how to manage and maintain the waqf properties in effective and efficient practice. Thus, a comprehensive framework related to the management and maintenance of the waqf properties is crucial to ensure that the administration of the fund is fair within the community. The objective of this article is to examine the related literatures in administration, management and maintenance of waqf for the past ten (10) years. The methodology of this article is through qualitative research based on literature on waqf administration and management; waqf planning and development and the application of maintenance concept. Data from each articles related in this field were collected and statistically analyzed using the SPSS software. A variable such as authorship patterns, number of articles published and geographical affiliation are identified in this study. The general finding in this article shows that there are still limited number of articles and papers published by the researchers related to this field. Henceforth, this article provides significant suggestions and strategies for the future research on waqf administration, management and maintenance.

Keywords: Waqf, administration and management, maintenance, improvement, facilities management

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Authors: Zafar Iqbal

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This article aims at analyzing the U.S.-Taliban peace deal considering the cross- pressures that both parties (U.S. and Taliban) faced and eventually paved the way for a negotiated settlement to the two-decade-long war. The paper first discusses the peace process initiated by President Obama in 2009 and then explores the factors that compelled both the parties to sign this deal. The study is based on secondary data and interviews done with the leading experts on Afghanistan along with the Taliban Qatar office spokesperson’s interview. The theoretical framework is based on the interplay of diplomacy and domestic politics: two-level games logic proposed by Robert D. Putnam. The two-level games suggest that actors involved in negotiations face cross-pressures and are constrained both by the expectations of the domestic audience and their counterpart’s zone of possible agreement. This paper will take the cross pressures for both sides as the permissive factors for the entire process of negotiations. However, there will be a slight aberration in the application of Putnam’s two-level games. In this case, it is not inter-state negotiations but between an all-powerful state and the unyielding non-state actors. The study concludes that both the parties faced domestic as well as international pressure which compelled them to sign a deal that could lead to an end of the two-decade-long war. Furthermore, it looks at the potential prospects and challenges of the deal following the U.S. withdrawal.

Keywords: neo-Taliban insurgency, negotiations, two-level game, U.S.-Taliban peace deal, U.S. withdrawal

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Authors: Bunty Tomar, Shiva S.

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Fabrication of steel and copper-based functionally graded material (FGM) through cold metal transfer-based wire arc additive manufacturing is a novel exploration. Components combining Cu and steel show significant usage in many industrial applications as they combine high corrosion resistance, ductility, thermal conductivity, and wear resistance to excellent mechanical properties. Joining steel and copper is challenging due to the mismatch in their thermo-mechanical properties. In this experiment, a functionally graded material (FGM) structure of pure copper (Cu) and 316L stainless steel (SS) was successfully developed using cold metal transfer-based wire arc additive manufacturing (CMT-WAAM). The interface of the fabricated samples was characterized under optical microscopy, field emission scanning electron microscopy, and X-ray diffraction techniques. Detailed EBSD and TEM analysis was performed to analyze the grain orientation, strain distribution, grain boundary misorientations, and formation of metastable and intermetallic phases. Mechanical characteristics of deposits was also analyzed using tensile and wear testing. This works paves the way to use CMT-WAAM to fabricate steel/copper FGMs.

Keywords: wire arc additive manufacturing (waam), cold metal transfer (cmt), metals and alloys, mechanical properties, characterization

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Authors: Roman Knizek, Denisa Karhankova, Ludmila Fridrichova

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For their exceptional properties nanofibers, respectively, nanofiber layers are achieving an increasingly wider range of uses. Nowadays nanofibers are used mainly in the field of air filtration where they are removing submicron particles, bacteria, and viruses. Their efficiency is not changed in time, and the power consumption is much lower than that of electrically charged filters. Nanofibers are primarily used for converting and storage of energy in both air and liquid filtration, in food and packaging, protecting the environment, but also in health care which is made possible by their newly discovered properties. However, a major problem of the nanofiber layer is practically zero abrasion resistance; it is, therefore, necessary to laminate the nanofiber layer with another suitable material. Unfortunately, lamination of nanofiber layers is a major problem since the nanofiber layer contains small pores through which it is very difficult for adhesion to pass through. Therefore, there is still only a small percentage of products with these unique fibers 5.

Keywords: nanofiber layer, nanomembrane, lamination, electrospinning

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Authors: Mohaddeseh Ahmadnezhad, Shahrbano Oryan, Mahmoud Bahmani, Mohammadd Sayad Bourani

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Changes in abundance and size of skin ionocytes were investigated in two larval stage of Caspian sea zander, Sander lucioperca, before and after yolk sac absorption, at 96h after transfer from fresh water (FW; <0.5‰) to 7‰ (estuary) and 12‰ (Caspian sea water=CW) salinity. Survival rate in the stage of after yolk sac absorption were more than larval pre-absorbed yolk sac in condition of salinity (p<0.05). Ionocyte abundance increased significantly in 7 and 12‰ salinity (p<0.05), but not about ionocyte size. The results of this study suggest that development of skin Ionocyte osmoregulatory function and osmoregulation capability of Caspian Sea zander larvae increased with growth of the larvae.

Keywords: Caspian Sea, larvae, Sander lucioperca, salinity, skin ionocyte

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Authors: Zhemi Xu, Dewei Chu, Sean Li

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Well self-assembled pure and Mn-doped SnO2 nanocubes were synthesized by interface thermodynamic method, which is ideal for highly homogeneous large scale thin film deposition on flexible substrates for various electric devices. Mn-doped SnO2 shows very good resistive switching with high On/Off ratio (over 103), endurance and retention characteristics. More important, the resistive state can be tuned by multi-layer fabrication by alternate pure SnO2 and Mn-doped SnO2 nanocube layer, which improved the memory capacity of resistive switching effectively. Thus, such a method provides transparent, multi-level resistive switching for next generation non-volatile memory applications.

Keywords: metal oxides, self-assembly nanoparticles, multi-level resistive switching, multi-layer thin film

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Authors: Reshmi Vijayan

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Alkaline protease is one of the most important enzymes in the biological world. Microbial production of alkaline protease is getting more attention from researchers due to its unique properties and substantial activity. Microorganisms are the most common sources of commercial enzymes due to their physiological and biochemical properties. The study was conducted on Ayiramthenghu mangrove sediments to isolate protease producing bacteria. All the isolates were screened for proteolytic activity on a skim milk agar plate at 37˚C for 48hrs. Protease activities were determined by the formation of a clear zone around the colonies on Skim milk agar medium. The activity of the enzyme was measured by the tyrosine standard curve, and it was found to be 0.186285 U/ml/min.

Keywords: protease, protease assay, skim milk agar medium, mangrove ecosystem

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Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

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Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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Authors: Ayesha Waqar Khan, Mariam Altaf, Jamil Ahmad, Shaheen Shahzad

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Kidney fibrosis is an anticipated outcome of possibly all types of progressive chronic kidney disease (CKD). Epithelial-mesenchymal transition (EMT) signaling pathway is responsible for production of matrix-producing fibroblasts and myofibroblasts in diseased kidney. In this study, a discrete model of TGF-beta (transforming growth factor) and CTGF (connective tissue growth factor) was constructed using Rene Thomas formalism to investigate renal fibrosis turn over. The kinetic logic proposed by Rene Thomas is a renowned approach for modeling of Biological Regulatory Networks (BRNs). This modeling approach uses a set of constraints which represents the dynamics of the BRN thus analyzing the pathway and predicting critical trajectories that lead to a normal or diseased state. The molecular connection between TGF-beta, Smad 2/3 (transcription factor) phosphorylation and CTGF is modeled using GenoTech. The order of BRN is CTGF, TGF-B, and SMAD3 respectively. The predicted cycle depicts activation of TGF-B (TGF-β) via cleavage of its own pro-domain (0,1,0) and presentation to TGFR-II receptor phosphorylating SMAD3 (Smad2/3) in the state (0,1,1). Later TGF-B is turned off (0,0,1) thereby activating SMAD3 that further stimulates the expression of CTGF in the state (1,0,1) and itself turns off in (1,0,0). Elevated CTGF expression reactivates TGF-B (1,1,0) and the cycle continues. The predicted model has generated one cycle and two steady states. Cyclic behavior in this study represents the diseased state in which all three proteins contribute to renal fibrosis. The proposed model is in accordance with the experimental findings of the existing diseased state. Extended cycle results in enhanced CTGF expression through Smad2/3 and Smad4 translocation in the nucleus. The results suggest that the system converges towards organ fibrogenesis if CTGF remains constructively active along with Smad2/3 and Smad 4 that plays an important role in kidney fibrosis. Therefore, modeling regulatory pathways of kidney fibrosis will escort to the progress of therapeutic tools and real-world useful applications such as predictive and preventive medicine.

Keywords: CTGF, renal fibrosis signaling pathway, system biology, qualitative modeling

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Authors: Augustas Vaitkevicius, Mikhail Korjik, Eugene Tretyak, Ekaterina Trusova, Gintautas Tamulaitis

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Silicate materials are widely used as luminescent materials in amorphous and crystalline phase. Lithium silicate glass is popular for making neutron sensitive scintillation glasses. Cerium-doped single crystalline silicates of rare earth elements and yttrium have been demonstrated to be good scintillation materials. Due to their high thermal and photo-stability, silicate glass ceramics are supposed to be suitable materials for producing light converters for high power white light emitting diodes. In this report, the influence of glass composition and crystallization on photoluminescence (PL) of different silicate glasses was studied. Barium (BaO-2SiO₂) and lithium (Li₂O-2SiO₂) glasses were under study. Cerium, dysprosium, erbium and europium ions as well as their combinations were used for doping. The influence of crystallization was studied after transforming the doped glasses into glass ceramics by heat treatment in the temperature range of 550-850 degrees Celsius for 1 hour. The study was carried out by comparing the photoluminescence (PL) spectra, spatial distributions of PL parameters and quantum efficiency in the samples under study. The PL spectra and spatial distributions of their parameters were obtained by using confocal PL microscopy. A WITec Alpha300 S confocal microscope coupled with an air cooled CCD camera was used. A CW laser diode emitting at 405 nm was exploited for excitation. The spatial resolution was in sub-micrometer domain in plane and ~1 micrometer perpendicularly to the sample surface. An integrating sphere with a xenon lamp coupled with a monochromator was used to measure the external quantum efficiency. All measurements were performed at room temperature. Chromatic properties of the light emission from the glasses and glass ceramics have been evaluated. We observed that the quantum efficiency of the glass ceramics is higher than that of the corresponding glass. The investigation of spatial distributions of PL parameters revealed that heat treatment of the glasses leads to a decrease in sample homogeneity. In the case of BaO-2SiO₂: Eu, 10 micrometer long needle-like objects are formed, when transforming the glass into glass ceramics. The comparison of PL spectra from within and outside the needle-like structure reveals that the ratio between intensities of PL bands associated with Eu²⁺ and Eu³⁺ ions is larger in the bright needle-like structures. This indicates a higher degree of crystallinity in the needle-like objects. We observed that the spectral positions of the PL bands are the same in the background and the needle-like areas, indicating that heat treatment imposes no significant change to the valence state of the europium ions. The evaluation of chromatic properties confirms applicability of the glasses under study for fabrication of white light sources with high thermal stability. The ability to combine barium and lithium glass matrixes and doping by Eu, Ce, Dy, and Tb enables optimization of chromatic properties.

Keywords: glass ceramics, luminescence, phosphor, silicate

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Authors: M. R. Ashok, S. Srivatsan, S. Vignesh

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Common replacement for glass in composites is the Glass Fiber Reinforced Plastics (GFRP). The GFRP has its own advantages for being a good alternative. The purpose of this research is to find a suitable enhancement for the commonly used composite Glass Fiber Reinforced Plastics (GFRP). The goal is to enhance the material properties of the composite by providing a suitable matrix with Al base. The various mechanical tests are performed to analyze and compare the improvement in the mechanical properties of the composite. As a result, this material can be used as an alternative for the commonly used GFRP in various fields with increased effectiveness in its functioning.

Keywords: alloy based composites, composite materials, glass fiber reinforced plastics, sSuper composites

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Authors: Zill-E-Huma, Humaira Siddiqi

Abstract:

This paper comprises of synthesis of thermally stable, mechanically strong polyimides. The polyimides were considered as most diverse class of polymers having unlimited applications. They were widely used as optical wave guides, in aerospace, for gas separation, as biomaterials and in electronics. Here the focus was to increase thermal stability and mechanical strength of polyimides. For this purpose two monomers were synthesized and were further polymerized via anhydrides to polyimides. The monomer diamines were synthesized by nucleophilic attack of aniline/2-fluoro aniline on hydroxy benzaldehydes. The two diamines synthesized were 3-(bis(4-aminophenyl) methyl) phenol (3OHDA) and 4-(bis(4-amino-3-fluorophenyl) methyl) phenol (2F4OHDA). These diamines were then reacted with dianhydrides to get polyimides. Two neat polyimides of both diamines with pyromellitic dianhydride (PMDA) and one neat polyimide of 4'-(Hexafluoroisopropylidene) diphthalic dianhydride (6FDA) with 3OHDA were synthesized. To compare the properties of synthesized polyimides like thermal stability, rigidity, flexibility, toughness etc. a commercial diamine oxydianiline (ODA) was used. Polyimides from oxydianiline were basically rigid. Nine different polyimide blends were synthesized from 3OHDA and commercial diamines ODA to have a better comparison of properties. TGA and mechanical testing results showed that with the increase in the percentage of 3OHDA in comparison to ODA the flexibility, toughness, strength of polyimide, thermal stability goes on increasing. So, synthesized diamines were responsible for improvement of properties of polyimides.

Keywords: diamines, dianhydrides, oxydianiline, polyimides

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Authors: R. Setino, I. M. Ambe, J. A Badenhorst-Weiss

Abstract:

The South African government supply chain management system is not adequately implemented in State Owned Enterprises (SOEs). There are weaknesses in the SOEs SCM enablers, strategies and policies. In addition, top management of SOEs still do not see SCM as strategic enough to deserve their attention, and therefore, there is very little support from top management, thus making it even difficult for SCM practitioners to execute their day to day functions, let alone delivering the letter and spirit of the relevant legislations. Supply chain strategies lack buy in from the top, and as a result senior SCM practitioners has not been involved in the corporate strategy. This has resulted in supply chain and corporate strategies being misaligned. Due to service delivery backlog, high level of corruption and continuous strikes across the country for better services it is inevitable that government leaders be more strategic about how South Africa can use SCM as a tool to improve service delivery. Consequently, there is a need to close the gap between the strategic level dealt by top management and the application of operational SCM concepts: the use of SCM concepts and, therefore, supply chain strategies – should be aligned with the corporate and business strategies in order to ensure the achievement of top level business objectives. This paper aims to explore supply chain practices in State Owned Enterprises (SOEs). The paper based on a conceptual review provides the status, trends and development and suggests a framework for aligning supply chain strategies and organizational strategies in an SOE environment.

Keywords: alignment, strategies, state owned enterprises, supply chain management, South Africa

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Authors: Jesus Alfredo Ortega Granados, Pandiyan Thangarasu

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Antibiotic tetracycline presents as a micro-contaminant in fresh water, wastewater and soils, causing environmental and health problems. In this work, tetracycline (TC) has been employed as chemo-sensor for the recognition of Al³⁺ without interring other ions, and the results show that it enhances the fluorescence intensity for Al³⁺ and there is no interference from other coexisting cation ions (Cd²⁺, Ni²⁺, Co²⁺, Sr²⁺, Mg²⁺, Fe³⁺, K⁺, Sm³⁺, Ag⁺, Na⁺, Ba²⁺, Zn²⁺, and Mn²⁺). For the addition of Cu²⁺ to [TET-Al³⁺], it appears that the intensity of fluorescence has been quenched. Other combinations of metal ions in addition to TC do not change the fluorescence behavior. The stoichiometry determined by Job´s plot for the interaction of TC with Al³⁺ was found to be 1:1. Importantly, the detection of Al³⁺⁺ successfully employed in the real samples like living cells, and it was found that TC efficiently performs as a fluorescent probe for Al³⁺ ion in living systems, especially in Saccharomyces cerevisiae; this is confirmed by confocal laser scanning microscopy.

Keywords: chemo-sensor, recognition of Al³⁺ ion, Saccharomyces cerevisiae, tetracycline,

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Authors: Mustafa Yıldız, Ali Ulvi Uzer, Murat Olgun

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In this study, geotechnical and mineralogical properties of gypsum containing clay basis which form the ground of Second Organized Industrial Zone in Konya province have been researched through comprehensive field and laboratory experiments. Although sufficient geotechnical research has not been performed yet, an intensive structuring in the region continues at present. The study area consists of mid-lake sediments formed by gypsum containing soft silt-clay basis which evolves to a large area. To determine the soil profile and geotechnical specifications; 18 drilling holes were opened and disturbed / undisturbed soil samples have been taken through shelby tubes within 1.5m intervals. Tests have been performed on these samples to designate the index and strength properties of soil. Besides, at all drilling holes Standart Penetration Tests have been done within 1.5m intervals. For the purpose of determining the mineralogical characteristics of the soil; all rock and X-RD analysis have been carried out on 6 samples which were taken from various depths through the soil profile. Strength and compressibility characteristics of the soil were defined with correlations using laboratory and field test results. Unconfined compressive strength, undrained cohesion, compression index varies between 16 kN/m2 and 405.4 kN/m2, 6.5 kN/m2 and 72 kN/m2, 0.066 and 0.864, respectively.

Keywords: Konya second organized industrial region, strength, compressibility, soft clay

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Authors: Ana Nascimento

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For several reasons and in different countries worldwide, there is an increasing difficulty of the States to finance higher education. However, most societies consider education as a public good, so it should be a State obligation to provide this service to citizens. In Portugal, over the last decades, state has diminished its contribution to public higher education and the public higher education institutions started to look for alternative incoming sources, namely charging student’s taxes and fees, provision of services to companies, production of applied research, search for sponsors, configuring new forms of fundraising. This financial policy can raise some concerns to the scientific and pedagogical autonomy of these institutions as well as concerns in access and equity in higher education. For these reasons and in the scope of a PhD research in the area of Economy of Education, a survey is taking place in all public higher education institutions in the Great Lisbon area that intends to analyze and discuss the policy measures in each institution in the search for external financing. The research aims to understand what these measures are and what implications they might have in the institution’s autonomy as well as in higher education access by students from less favored backgrounds. The research uses a qualitative approach, namely through semi-structured interviews to presidents, directors and rectors of each institution, totalizing 50 interviews. In this paper are discussed some of the results from the interviews made so far that present the subjects opinion about higher education finance, the right to education, the search for fundraising and the possible consequences to the institution’s autonomy as well as some literature on the state of the art.

Keywords: autonomy, finance, higher education, public goods

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Authors: Jimoh Yusuf Amuda

Abstract:

Human security is a great panacea for sustainable development of world societies. Today the whole globe cum human species is living in nightmares of insecurity. This is due to acts of terrorism by various terrorists’ organization worldwide. The situation is on the increase daily. The number of lives and properties lost to religious insurgency cannot be quantifiably analyzed. It is on this note that this paper examine the book haram menace in northern Nigerian vis-à-vis it’s threat to the existence of human lives. The methodology applied for this research is the multi-disciplinary approach, the use journal articles, news papers, magazines, oral interview. Field trips to areas of terrorist attack and the use of text books. The following recommendations were made base on the findings. First of all the Nigerian government should declare total war on the book haram terrorist, then secondly the source of armament coming to this terrorist should be blocked, thirdly the European world should also place an arms embargo on terrorist source arms demands, also security agencies-police, the military, immigration, customs, state security service should work hand-in-hand, in a security tight measures to reduce the penetration of insurgent into the society.

Keywords: human, insecurity, security, terrorism

Procedia PDF Downloads 330