Search results for: properties and characterization

Authors: S. Abdullahi, M. Momoh, K. U. Isah

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Zinc oxide (ZnO) thin films of 75.5 nm and 130.5 nm were deposited at room temperature onto chemically and ultrasonically cleaned corning glass substrate by radio frequency technique and annealed at 150°C under nitrogen atmosphere for 60 minutes. The optical properties of the films were ascertained by UV-VIS-NIR spectrophotometry. Influence of the thickness of the films on the optical properties was studied keeping other deposition parameters constant. The optical transmittance spectra reveal a maximum transmittance of 81.49% and 84.26% respectively. The band gap of the films is found to be direct allowed transition and decreases with the increase in thickness of the films. The band gap energy (Eg) is in the range of 3.28 eV to 3.31 eV, respectively. These thin films are suitable for solar cell applications.

Keywords: optical constants, RF sputtering, Urbach energy, zinc oxide thin film

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Authors: J. Mrazek, R. Skala, S. Bysakh, Ivan Kasik

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Lanthanide-doped yttrium titanium oxides, which crystallize in a pyrochlore structure with general formula (RExY1-x)2Ti2O7 (RE=rare earth element), have been extensively investigated in recent years for their interesting physical and chemical properties. Despite that the pure pyrochlore structure does not present luminescence ability, the presence of yttrium ions in the pyrochlore structure significantly improves the luminescence properties of the RE. Moreover, the luminescence properties of pyrochlores strongly depend on the size of formed nanocrystals. In this contribution, we present a versatile sol-gel synthesis of nanocrystalline EuYTi2O7pyrochlore. The nanocrystalline powders and thin films were prepared by the condensation of titanium(IV)butoxide with europium(III) chloride followed by the calcination. The introduced method leads to the formation of the highly-homogenous nanocrystalline EuYTi2O7 with tailored grain size ranging from 20 nm to 200 nm. The morphology and the structure of the formed nanocrystals are linked to the luminescence properties of Eu3+ ions incorporated into the pyrochlore lattice. The results of XRD and HRTEM analysis show that the Eu3+ and Y3+ ions are regularly distributed inside the lattice. The lifetime of Eu3+ ions in calcinated powders is regularly decreasing from 140 us to 68 us and the refractive index of prepared thin films regularly increases from 2.0 to 2.45 according to the calcination temperature. The shape of the luminescence spectra and the decrease of the lifetime correspond with the crystallinity of prepared powders. The results present fundamental information about the effect of the size of the nanocrystals to their luminescence properties. The promising application of prepared nanocrystals in the field of lasers and planar optical amplifiers is widely discussed in the contribution.

Keywords: europium, luminescence, nanocrystals, sol-gel

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Authors: Marina Borgert Moraes, Gilmar Patrocinio Thim

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It is still unknown how the presence of nanoparticles such as graphene oxide (GO) or carbon nanotubes (CNT) influence the curing process and the final mechanical properties as well. In this work, kinetic and mechanical properties of the nanocomposites were analyzed, where the kinetic process was followed by DSC and the mechanical properties by DMA as well as mechanical tests. Initially, CNT was annealed at high temperature (1800 °C) under vacuum atmosphere, followed by a chemical treatment using acids and ethylenediamine. GO was synthesized through chemical route, washed clean, dried and ground to #200. The presence of functional groups on CNT and GO surface was confirmed by XPS spectra and FT-IR. Then, nanoparticles and acetone were mixed by sonication in order to obtain the composites. DSC analyses were performed on samples with different curing cycles (1h 80 °C + 2h 120 °C; 3h 80 °C + 2h 120 °C; 5h 80 °C) and samples with different times at constant temperature (120 °C). Mechanical tests were performed according to ASTM D638 and D790. Results showed that the kinetic process and the mechanical strength are very dependent on the presence of graphene and functionalized-CNT in the nanocomposites, and the GO reinforced samples had a slightly bigger improvement compared to functionalized CNT.

Keywords: carbon nanotube, epoxy resin, graphene oxide, nanocomposite

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Authors: R. Khenata, T. Djied, R. Ahmed, H. Baltache, S. Bin-Omran, A. Bouhemadou

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We predict structural, phase transition as well as opto-electronic properties of the filled-tetrahedral (Nowotny-Juza) NaZnAs compound in this study. Calculations are carried out by employing the full potential (FP) linearized augmented plane wave (LAPW) plus local orbitals (lo) scheme developed within the structure of density functional theory (DFT). Exchange-correlation energy/potential (EXC/VXC) functional is treated using Perdew-Burke and Ernzerhof (PBE) parameterization for generalized gradient approximation (GGA). In addition to Trans-Blaha (TB) modified Becke-Johnson (mBJ) potential is incorporated to get better precision for optoelectronic properties. Geometry optimization is carried out to obtain the reliable results of the total energy as well as other structural parameters for each phase of NaZnAs compound. Order of the structural transitions as a function of pressure is found as: Cu2Sb type → β → α phase in our study. Our calculated electronic energy band structures for all structural phases at the level of PBE-GGA as well as mBJ potential point out; NaZnAs compound is a direct (Γ–Γ) band gap semiconductor material. However, as compared to PBE-GGA, mBJ potential approximation reproduces higher values of fundamental band gap. Regarding the optical properties, calculations of real and imaginary parts of the dielectric function, refractive index, reflectivity coefficient, absorption coefficient and energy loss-function spectra are performed over a photon energy ranging from 0.0 to 30.0 eV by polarizing incident radiation in parallel to both [100] and [001] crystalline directions.

Keywords: NaZnAs, FP-LAPW+lo, structural properties, phase transition, electronic band-structure, optical properties

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Authors: Payal Mazumdar, Sunita Rattan, Monalisa Mukherjee

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Polymer nanocomposites are a special class of materials having unique properties and wide application in diverse areas such as EMI shielding, sensors, photovoltaic cells, membrane separation properties, drug delivery etc. Recently the nanocomposites are being investigated for their use in biomedical fields as biosensors. Though nanocomposites with carbon nanoparticles have received worldwide attention in the past few years, comparatively less work has been done on nanographite although it has in-plane electrical, thermal and mechanical properties comparable to that of carbon nanotubes. The main challenge in the fabrication of these nanocomposites lies in the establishment of homogeneous dispersion of nanographite in polymer matrix. In the present work, attempts have been made to synthesize the nanocomposites of polystyrene and nanographite using click chemistry. The polymer and the nanographite are functionalized prior to the formation of nanocomposites. The polymer, polystyrene, was functionalized with alkyne moeity and nanographite with azide moiety. The fabricating of the nanocomposites was accomplished through click chemistry using Cu (I)-catalyzed Huisgen dipolar cycloaddition. The functionalization of filler and polymer was confirmed by NMR and FTIR. The nanocomposites formed by the click chemistry exhibit better electrical properties and the sensors are evaluated for their application as biosensors.

Keywords: nanocomposites, click chemistry, nanographite, biosensor

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Authors: Yin Zhang, Kai Qiao, Xiyang Zhi, Jinnan Gong, Jianming Hu

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In order to effectively detect aerial targets over long distances, an optimal matching design method of space-based optical payload is proposed. Firstly, main factors affecting optical detectability of small targets under complex environment are analyzed based on the full link of a detection system, including band center, band width and spatial resolution. Then a performance characterization model representing the relationship between image signal-to-noise ratio (SCR) and the above influencing factors is established to describe a detection system. Finally, an optimal matching design example is demonstrated for a typical aerial target by simulating and analyzing its SCR under different scene clutter coupling with multi-scale characteristics, and the optimized detection band and spatial resolution are presented. The method can provide theoretical basis and scientific guidance for space-based detection system design, payload specification demonstration and information processing algorithm optimization.

Keywords: space-based detection, aerial targets, optical system design, detectability characterization

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Authors: Mustafa Elfituri, Jonathan Cook

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Recently, graph-based computations have become more important in large-scale scientific computing as they can provide a methodology to model many types of relations between independent objects. They are being actively used in fields as varied as biology, social networks, cybersecurity, and computer networks. At the same time, graph problems have some properties such as irregularity and poor locality that make their performance different than regular applications performance. Therefore, parallelizing graph algorithms is a hard and challenging task. Initial evidence is that standard computer architectures do not perform very well on graph algorithms. Little is known exactly what causes this. The Graph500 benchmark is a representative application for parallel graph-based computations, which have highly irregular data access and are driven more by traversing connected data than by computation. In this paper, we present results from analyzing the performance of various example implementations of Graph500, including a shared memory (OpenMP) version, a distributed (MPI) version, and a hybrid version. We measured and analyzed all the factors that affect its performance in order to identify possible changes that would improve its performance. Results are discussed in relation to what factors contribute to performance degradation.

Keywords: graph computation, graph500 benchmark, parallel architectures, parallel programming, workload characterization.

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Authors: Odd Ivar Haugen

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This paper explores the ontology of assurance in safety-critical systems, emphasising the importance of knowledge and confidence in system behaviour. Assurance is defined as providing grounds for justified confidence in system properties, such as safety and security. The paper discusses the main concepts of assurance, including system requirements, confidence, and justification. It discusses the CESM metamodel for understanding system behaviour and emergent properties. The paper also highlights the importance of objectivity in assessing the strength of knowledge and the role of verification in generating evidence as a part of the argumentation. The assurance case is presented as a systematic way to represent knowledge and support decision-making.

Keywords: assurance, CESM metamodel, confidence, emergent properties, knowledge, objectivity, risk, system behaviour, system safety

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Authors: M. M. Nor, H. I. Sheikh, M. F. H. Hassan, S. Mokhtar, A. Suganthi, A. Fadhlina

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Black grass jelly (BGJ) is a popular black jelly used in preparing various drinks and desserts. Food industries often use preservatives to maintain the physicochemical properties of foods, such as color and texture. These preservatives (e.g., phosphoric acid) are linked with deleterious health effects such as kidney disease. Using gelling agents, carrageenan, and gelatin to make BGJ could improve its physiochemical and textural properties. This study was designed to optimize BGJ-selected physicochemical and textural properties using carrageenan and gelatin. Various black grass jelly formulations (BGJF) were designed using an I-optimal mixture design in Design Expert® software. Data from commercial BGJ were used as a reference during the optimization process. The combination of carrageenan and gelatin added to the formulations was up to 14.38g (~5%), respectively. The results showed that adding 2.5g carrageenan and 2.5g gelatin at approximately 5g (~5%) effectively maintained most of the physiochemical properties with an overall desirability function of 0.81. This formulation was selected as the optimum black grass jelly formulation (OBGJF). The leaching properties and floating duration were measured on the OBGJF and commercial grass jelly for 20 min and 40 min, respectively. The results indicated that OBGJF showed significantly (p<0.0001) lower leaching rate and floating time (p<0.05). Hence, further optimization is needed to increase the floating duration of carrageenan and gelatin-based BGJ.

Keywords: cincau, Mesona chinensis, black grass jelly, carrageenan, gelatin

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Authors: A. Gilewska, J. Masternak, K. Kazimierczuk, L. Turlej, J. Wietrzyk, B. Barszcz

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Platinum-based drugs are now widely used as chemotherapeutic agents. However the platinum complexes show the toxic side-effects: i) the development of platinum resistance; ii) the occurrence of severe side effects, such as nephro-, neuro- and ototoxicity; iii) the high toxicity towards human fibroblast. Therefore the development of new anticancer drugs containing different transition-metal ions, for example, ruthenium, rhodium, iridium is a valid strategy in cancer treatment. In this paper, we reported the synthesis, spectroscopic, structural and biological properties of complexes of ruthenium, rhodium, and iridium containing N,N-chelating ligand (2,2’-bisimidazole). These complexes were characterized by elemental analysis, UV-Vis and IR spectroscopy, X-ray diffraction analysis. These complexes exhibit a typical pseudotetrahedral three-legged piano-stool geometry, in which the aromatic arene ring forms the seat of the piano-stool, while the bidentate 2,2’-bisimidazole (ligand) and the one chlorido ligand form the three legs of the stool. The spectroscopy data (IR, UV-Vis) and elemental analysis correlate very well with molecular structures. Moreover, the cytotoxic activity of the complexes was carried out on human cancer cell lines: LoVo (colorectal adenoma), MV-4-11 (myelomonocytic leukaemia), MCF-7 (breast adenocarcinoma) and normal healthy mouse fibroblast BALB/3T3 cell lines. To predict a binding mode, a potential interaction of metal complexes with calf thymus DNA (CT-DNA) and protein (BSA) has been explored using UV absorption and circular dichroism (CD). It is interesting to note that the investigated complexes show no cytotoxic effect towards the normal BALB/3T3 cell line, compared to cisplatin, which IC₅₀ values was determined as 2.20 µM. Importantly, Ru(II) displayed the highest activity against HL-60 (IC₅₀ 4.35 µM). The biological studies (UV-Vis and circular dichroism) suggest that arene-complexes could interact with calf thymus DNA probably via an outside binding mode and interact with protein (BSA).

Keywords: ruthenium(II) complex, rhodium(III) complex, iridium(III) complex, biological activity

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Authors: Samira Berenji Ardestani, Hamid Reza Akhavan

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Gamma irradiation greatly reduces the potential microbiological risk of fresh fruits, resulting in improved microbial safety as well as extending their shelf life. The effects of 0.5-2 kGy gamma doses on some physicochemical, microbial and sensory properties of fresh barberry fruits (Berberis vulgaris) during refrigerated storage for 40 days were evaluated. The total anthocyanin and total phenolic contents of barberry fruits decreased in a dose-dependent manner immediately after irradiation and after subsequent storage. In general, it is recommended that, according to the effect of gamma radiation on physicochemical, microbial and sensorial characteristics, doses of 1.25-2 kGy could be used.

Keywords: antioxidant property, barberry fruit, chemical properties, gamma irradiation

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Authors: M. Firoz Kalam, Wilfried Schuetz, Jan Hendrik Bredehoeft

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In this research, diesel oil properties, such as aniline point, density, diesel index, cetane index and cetane number before and after treatment were studied. The investigation was considered for diesel oil samples after batch adsorption process using powdered activated carbon. Batch distillation process was applied to all treated diesel oil samples for separation of the solid-liquid mixture. The diesel oil properties were studied to observe the impact of adsorptive desulfurization process on fuel quality. Results showed that the best cetane number for desulfurized diesel oil was found at the best-operating conditions 60℃, 10g activated carbon and 180 minute contact time. The best-desulfurized diesel oil cetane number was obtained around 51 while the cetane number of untreated diesel oil was 34. Results also showed that the calculated cetane number increases as the operating temperature and amounts of adsorbent increases. This behavior was same for other diesel oil properties such as aniline point, diesel index, cetane index and density. The best value for all the fuel properties was found at same operating conditions mentioned above. Thus, it can be concluded that adsorptive desulfurization using powdered activated carbon as adsorbent had significantly improved the fuel quality of diesel oil by reducing aromatic contents of diesel oil.

Keywords: activated carbon, adsorption, desulfurization, diesel oil, fuel quality

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Authors: Satam Alotibi, Osama A. Hussein, Aziz H. Al-Shaibani, Nawaf A. Al-Aqeel, Abdellah Kaiba, Fatehia S. Alhakami, Mohammed Alyami, Talal F. Qahtan

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The demand for sustainable and efficient energy conversion using solar energy has grown rapidly in recent years. In this pursuit, solar-to-chemical conversion has emerged as a promising approach, with oxygen vacancies-rich tungsten trioxide (WO₃) playing a crucial role. This study presents a method for synthesizing oxygen vacancies-rich WO3, resulting in a significant enhancement of its photocatalytic activity, representing a significant step towards sustainable energy solutions. Experimental results underscore the importance of oxygen vacancies in modifying the properties of WO₃. These vacancies introduce additional energy states within the material, leading to a reduction in the bandgap, increased light absorption, and acting as electron traps, thereby reducing emissions. Our focus lies in developing oxygen vacancies-rich WO₃, which demonstrates unparalleled potential for improved photocatalytic applications. The effectiveness of oxygen vacancies-rich WO₃ in solar-to-chemical conversion was showcased through rigorous assessments of its photocatalytic degradation performance. Sunlight irradiation was employed to evaluate the material's effectiveness in degrading organic pollutants in wastewater. The results unequivocally demonstrate the superior photocatalytic performance of oxygen vacancies-rich WO₃ compared to conventional WO₃ nanomaterials, establishing its efficacy in sustainable and efficient energy conversion. Furthermore, the synthesized material is utilized to fabricate films, which are subsequently employed in immobilized WO₃ and oxygen vacancies-rich WO₃ reactors for water purification under natural sunlight irradiation. This application offers a sustainable and efficient solution for water treatment, harnessing solar energy for effective decontamination. In addition to investigating the photocatalytic capabilities, we extensively analyze the structural and chemical properties of the synthesized material. The synthesis process involves in situ thermal reduction of WO₃ nano-powder in a nitrogen environment, meticulously monitored using thermogravimetric analysis (TGA) to ensure precise control over the synthesis of oxygen vacancies-rich WO₃. Comprehensive characterization techniques such as UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), FTIR, Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) provide deep insights into the material's optical properties, chemical composition, elemental states, structure, surface properties, and crystalline structure. This study represents a significant advancement in sustainable energy conversion through solar-to-chemical processes and water purification. By harnessing the unique properties of oxygen vacancies-rich WO₃, we not only enhance our understanding of energy conversion mechanisms but also pave the way for the development of highly efficient and environmentally friendly photocatalytic materials. The application of this material in water purification demonstrates its versatility and potential to address critical environmental challenges. These findings bring us closer to a sustainable energy future and cleaner water resources, laying a solid foundation for a more sustainable planet.

Keywords: sustainable energy conversion, solar-to-chemical conversion, oxygen vacancies-rich tungsten trioxide (WO₃), photocatalytic activity enhancement, water purification

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Authors: Ishaq Ahmad, Zhaomin Li, Liu Chengwen, Song Yan Li, Zihan Gu, Li Shaopeng

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In order to manage gas mobility in the reservoir, only a small amount of surfactant or polymer is needed because nanoparticles have the potential to improve foam stability. The aim is to enhance foam formation and stability, so it was decided to investigate the foam stability and foam ability of black rice husk ash. Several characterization techniques were used to investigate the properties of black rice husk ash. The best-performing anionic foaming surfactants were combined with black rice husk ash at different concentrations (ppm). Sodium dodecyl benzene sulphonate was used as the anionic surfactant. This study demonstrates the value of black rice husk ash (BRHA), which has a high silica concentration, for foam stability and ability. For the test, black rice husk ash and raw ash were used with SDS (Sodium Dodecyl Sulfate) and SDBS (Sodium dodecyl benzenesulfonate) surfactants under different parameters. Different concentration percentages were utilized to create the foam, and the hydrophobic test and shaking method were applied. The foam scanner was used to observe the behavior of the black rice husk ash foam. The high silica content of black rice husk ash has the potential to improve foam stability, which is favorable and could possibly improve oil recovery.

Keywords: black rice husk ash nanoparticle, surfactant, foam life, foam scanning

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Authors: Chetan Mahawar, Sarath Chandran, Sridhar Panigrahi, V. P. Shaji

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The ever-growing advancement in space exploration has led to an alarming concern for space debris removal as it restricts further launch operations and adventurous space missions; hence numerous studies have come up with technologies for re-entry predictions and material selection processes for mitigating space debris. The selection of material and operating conditions is determined with the objective of lightweight structure and ability to demise faster subject to spacecraft survivability during its mission. Since the demisability of spacecraft depends on evolving thermal material properties such as emissivity, specific heat capacity, thermal conductivity, radiation intensity, etc. Therefore, this paper presents the analysis of evolving thermal material properties of spacecraft, which affect the demisability process and thus estimate demise time using the demisability model by incorporating evolving thermal properties for sensible heating followed by the complete or partial break-up of spacecraft. The demisability analysis thus concludes the best suitable spacecraft material is based on the least estimated demise time, which fulfills the criteria of design-for-survivability and as well as of design-for-demisability.

Keywords: demisability, emissivity, lightweight, re-entry, survivability

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Authors: S. Redjala, N. Ait Hocine, M. Gratton, N. Poirot, R. Ferhoum, S. Azem

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Polycarbonate (PC) is a promising polymer with high transparency in the range of the visible spectrum and is used in various fields, for example medical, electronic, automotive. Its low weight, chemical inertia, high impact resistance and relatively low cost are of major importance. In recent decades, some materials such as metals and ceramics have been replaced by polymers because of their superior advantages. However, some characteristics of the polymers are highly modified under the effect of ultraviolet (UV) radiation and temperature. The changes induced in the material by such aging depend on the exposure time, the wavelength of the UV radiation and the temperature level. The UV energy is sufficient to break the chemical bonds leading to a cleavage of the molecular chains. This causes changes in the mechanical, thermal, optical and morphological properties of the material. The present work is focused on the study of the effects of aging under ultraviolet (UV) radiation and under different temperature values on the physical-chemical and mechanical properties of a PC. Thus, various investigations, such as FTIR and XRD analyses, SEM and optical microscopy observations, micro-hardness measurements and monotonic and cyclic tensile tests, were carried out on the PC in the initial state and after aging. Results have shown the impact of aging on the properties of the PC studied. In fact, the MEB highlighted changes in the superficial morphology of the material by the presence of cracks and material de-bonding in the form of debris. The FTIR spectra reveal an attenuation of the peaks like the hydroxyl (OH) groups located at 3520 cm-1. The XRD lines shift towards a larger angle, reaching a maximum of 3°. In addition, Vickers micro-hardness measurements show that aging affects the surface and the core of the material, which results in different mechanical behaviours under monotonic and cyclic tensile tests. This study pointed out effects of aging on the macroscopic properties of the PC studied, in relationship with its microstructural changes.

Keywords: mechanical properties, physical-chemical properties, polycarbonate, UV aging, temperature aging

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Authors: Lila A. Alkhattaby, Norah A. Alsayegh, Mohammad S. Ansari, Mohammad O. Ansari

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In this work, we doped zinc oxide ZnO with potassium K we have synthesized using the sol-gel method. Structural properties were depicted by X-ray diffractometer (XRD) and energy distribution spectroscopy, X-ray diffraction studies confirm the nanosized of the particles and favored orientations along the (100), (002), (101), (102), (110), (103), (200), and (112) planes confirm the hexagonal wurtzite structure of ZnO NPs. The optical properties study using the UV-Vis spectroscopy. The band gap decreases from 4.05 eV to 3.88 eV, the lowest band gap at 10% doped concentration. The photoluminescence (PL) spectroscopy results show two main peaks, a sharp peak at ≈ 384 nm in the UV region and a broad peak around 479 nm in the visible region. The highest intensity of the band-edge luminescence was for 2% doped concentration because of the combined effect of the decreased probability of nonradiative recombination and has better crystallinity.

Keywords: K doped ZnO, photoluminescence spectroscopy, UV-Vis spectroscopy, x-ray spectroscopy

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Authors: Rafal Michalski, Jakub Zygadlo

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We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.

Keywords: atomic matters, crystal electric field (CEF) spin-orbit coupling, localized states, electron subshell, fine electronic structure

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Authors: Angelo Aloisio Dag, Pasquale Pasca, Massimo Fragiacomo, Ferdinando Totani, Gianfranco Totani

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The estimate of the velocity of shear waves (Vs) is essential in seismic engineering to characterize the dynamic response of soils. There are various direct methods to estimate the Vs. The authors report the results of site characterization in Macerata, where they measured the Vs using the seismic dilatometer in a 100m deep borehole. The standard Vs estimation originates from the cross-correlation between the signals acquired by two geophones at increasing depths. This paper focuses on the estimate of the dependence of Vs on the wavenumber. The dispersion curves reveal an unexpected hyperbolic dispersion curve typical of Lamb waves. Interestingly, the contribution of Lamb waves may be notable up to 100m depth. The amplitude of surface waves decrease rapidly with depth: still, their influence may be essential up to depths considered unusual for standard geotechnical investigations, where their effect is generally neglected. Accordingly, these waves may bias the outcomes of the standard Vs estimations, which ignore frequency-dependent phenomena. The paper proposes an enhancement of the accepted procedure to estimate Vs and addresses the importance of Lamb waves in soil characterization.

Keywords: dispersion curve, seismic dilatometer, shear wave, soil mechanics

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Authors: Ariesny Vera, Rodrigo Montecinos

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The rare-earth elements (REEs) or rare-earth metals (REMs), correspond to seventeen chemical elements composed by the fifteen lanthanoids, as well as scandium and yttrium. Lanthanoids corresponds to lanthanum and the f-block elements, from cerium to lutetium. Scandium and yttrium are considered rare-earth elements because they have ionic radii similar to the lighter f-block elements. These elements were called rare earths because they are simply more difficult to extract and separate individually than the most metals and, generally, they do not accumulate in minerals, they are rarely found in easily mined ores and are often unfavorably distributed in common ores/minerals. REEs show unique chemical and physical properties, in comparison to the other metals in the periodic table. Nowadays, these physicochemical properties are utilized in a wide range of synthetic, catalytic, electronic, medicinal, and military applications. Because of their applications, the global demand for rare earth metals is becoming progressively more important in the transition to a self-sustaining society and greener economy. However, due to the difficult separation between lanthanoid ions, the high cost and pollution of these processes, the scientists search the development of a method that combines selectivity and quantitative separation of lanthanoids from the leaching liquor, while being more economical and environmentally friendly processes. This motivation has favored the design and development of more efficient and environmentally friendly cation extractors with the incorporation of compounds as ionic liquids, membrane inclusion polymers (PIM) and supramolecular systems. Supramolecular chemistry focuses on the development of host-guest systems, in which a host molecule can recognize and bind a certain guest molecule or ion. Normally, the formation of a host-guest complex involves non-covalent interactions Additionally, host-guest interactions can be influenced among others effects by the structural nature of host and guests. The different macrocyclic hosts for lanthanoid species that have been studied are crown ethers, cyclodextrins, cucurbituryls, calixarenes and pillararenes.Among all the factors that can influence and affect lanthanoid (III) coordination, perhaps the most basic of them is the systematic control using macrocyclic substituents that promote a selective coordination. In this sense, macrocycles pillar[n]arenes (P[n]As) present a relatively easy functionalization and they have more π-rich cavity than other host molecules. This gives to P[n]As a negative electrostatic potential in the cavity which would be responsible for the selectivity of these compounds towards cations. Furthermore, the cavity size, the linker, and the functional groups of the polar headgroups could be modified in order to control the association of lanthanoid cations. In this sense, different P[n]As systems, specifically derivatives of the pentamer P[5]A functionalized with amide, amine, phosphate and sulfate derivatives, have been designed in terms of experimental synthesis and molecular dynamics, and the interaction between these P[5]As and some lanthanoid ions such as La³+, Eu³+ and Lu³+ has been studied by physicochemical characterization by 1H-NMR, ITC and fluorescence in the case of Eu³+ systems. The molecular dynamics study of these systems was developed in hexane as solvent, also taking into account the lanthanoid ions mentioned above, and the respective comparison studies between the different ions.

Keywords: lanthanoids, macrocycles, pillar[n]arenes, rare-earth metal extraction, supramolecular chemistry, supramolecular complexes.

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Authors: Said Benaissa, David Plets, Emmeric Tanghe, Jens Trogh, Luc Martens, Leen Vandaele, Annelies Van Nuffel, Frank A. M. Tuyttens, Bart Sonck, Wout Joseph

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The herd monitoring and managing - in particular the detection of ‘attention animals’ that require care, treatment or assistance is crucial for effective reproduction status, health, and overall well-being of dairy cows. In large sized farms, traditional methods based on direct observation or analysis of video recordings become labour-intensive and time-consuming. Thus, automatic monitoring systems using sensors have become increasingly important to continuously and accurately track the health status of dairy cows. Wireless sensor networks (WSNs) and internet-of-things (IoT) can be effectively used in health tracking of dairy cows to facilitate herd management and enhance the cow welfare. Since on-cow measuring devices are energy-constrained, a proper characterization of the off-body wireless channel between the on-cow sensor nodes and the back-end base station is required for a power-optimized deployment of these networks in barns. The aim of this study was to characterize the off-body wireless channel in indoor (barns) environment at 868 MHz using LoRa nodes. LoRa is an emerging wireless technology mainly targeted at WSNs and IoT networks. Both large scale fading (i.e., path loss) and temporal fading were investigated. The obtained path loss values as a function of the transmitter-receiver separation were well fitted by a lognormal path loss model. The path loss showed an additional increase of 4 dB when the wireless node was actually worn by the cow. The temporal fading due to movement of other cows was well described by Rician distributions with a K-factor of 8.5 dB. Based on this characterization, network planning and energy consumption optimization of the on-body wireless nodes could be performed, which enables the deployment of reliable dairy cow monitoring systems.

Keywords: channel, channel modelling, cow monitoring, dairy cows, health monitoring, IoT, LoRa, off-body propagation, PLF, propagation

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Authors: Kunjie Fan

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Fly ash has been widely used as supplemental cementitious material in concrete for decades, especially in the ready-mixed concrete industry. Addition of fly ash not only brings economic and environmental benefits but also improves the engineering properties of concrete. It is well known that the pre-fire load has significant impacts on mechanical properties of concrete at high temperatures, however, the fire performance of stressed fly ash concrete is still not clear. Therefore, an apparatus was specially designed for testing “hot” mechanical properties of fly ash concrete with different heating-loading regimes. Through the experimental research, the mechanical properties, including compressive strength, peak strain, elastic modulus, complete stress-strain relationship, and transient thermal creep of fly ash concrete under uniaxial compression at elevated temperatures, have been investigated. It was found that the compressive strength and the elastic modulus increase with the load level, while the peak strain decreases with the applied stress level. In addition, 25% replacement of OPC with FA in the concrete mitigated the deterioration of the compressive strength, the development of transient thermal creep, and the nonlinearity of stress-strain response at elevated temperatures but hardly influenced the value of the elastic modulus and the peak strain. The applicability of Eurocode EN1992-1-2 to normal strength concrete with 25% replacement of fly ash has been verified to be safe. Based on the experimental analysis, an advanced constitutive model for stressed fly ash concrete at high temperatures was proposed.

Keywords: fire performance, fly ash concrete, pre-fire load, mechanical properties, transient thermal creep

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Authors: Rajasekhar Reddy Poonuru, Anusha Parnem

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Purpose: To formulate proliposome powder of agomelatine, an antipsychotic drug, and to evaluate physicochemical, in vitro characters and effect of surface charge on ex vivo intestinal permeation. Methods: Film deposition technique was employed to develop proliposomal powders of agomelatin with varying molar ratios of lipid Hydro Soy PC L-α-phosphatidylcholine (HSPC) and cholesterol with fixed sum of drug. With the aim to derive free flowing and stable proliposome powder, fluid retention potential of various carriers was examined. Liposome formation and number of vesicles formed for per mm3 up on hydration, vesicle size, and entrapment efficiency was assessed to deduce an optimized formulation. Sodium cholate added to optimized formulation to induce surface charge on formed vesicles. Solid-state characterization (FTIR, DSC, and XRD) was performed with the intention to assess native crystalline and chemical behavior of drug. The in vitro dissolution test of optimized formulation along with pure drug was evaluated to estimate dissolution efficiency (DE) and relative dissolution rate (RDR). Effective permeability co-efficient (Peff(rat)) in rat and enhancement ratio (ER) of drug from formulation and pure drug dispersion were calculated from ex vivo permeation studies in rat ileum. Results: Proliposomal powder formulated with equimolar ratio of HSPC and cholesterol ensued in higher no. of vesicles (3.95) with 90% drug entrapment up on hydration. Neusilin UFL2 was elected as carrier because of its high fluid retention potential (4.5) and good flow properties. Proliposome powder exhibited augmentation in DE (60.3 ±3.34) and RDR (21.2±01.02) of agomelation over pure drug. Solid state characterization studies demonstrated the transformation of native crystalline form of drug to amorphous and/or molecular state, which was in correlation with results obtained from in vitro dissolution test. The elevated Peff(rat) of 46.5×10-4 cm/sec and ER of 2.65 of drug from charge induced proliposome formulation with respect to pure drug dispersion was assessed from ex vivo intestinal permeation studies executed in ileum of wistar rats. Conclusion: Improved physicochemical characters and ex vivo intestinal permeation of drug from charge induced proliposome powder with Neusilin UFL2 unravels the potentiality of this system in enhancing oral delivery of agomelatin.

Keywords: agomelatin, proliposome, sodium cholate, neusilin

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Authors: Karim Kootahi, Seyed Abolhasan Naeini

Abstract:

The soil-water characteristic curve (SWCC), which represents the relationship between suction and water content (or degree of saturation), is an important property of unsaturated soils. The conventional method for determining SWCC is through specialized testing procedures. Since these procedures require specialized unsaturated soil testing apparatus and lengthy testing programs, several index properties-based correlations have been developed for estimating the SWCC of fine-grained soils. There are, however, considerable inconsistencies among the published correlations and there is no validation study on the predictive ability of existing correlations. In the present study, all existing index properties-based correlations are evaluated using a high quality worldwide database. The performances of existing correlations are assessed both graphically and quantitatively using statistical measures. The results of the validation indicate that most of the existing correlations provide unacceptable estimates of degree of saturation but the most recent model appears to be promising.

Keywords: SWCC, correlations, index properties, validation

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Authors: Nagasamy Venkatesh Dhandapani, Amged Awad El-Gied

Abstract:

Cefixime, a BCS class II drug, is insoluble in water but freely soluble in acetone and in alcohol. The aqueous solubility of cefixime in water is poor and exhibits exceptionally slow and intrinsic dissolution rate. In the present study, cefixime and β-Cyclodextrin (β-CD) solid dispersions were prepared with a view to study the effect and influence of β-CD on the solubility and dissolution rate of this poorly aqueous soluble drug. Phase solubility profile revealed that the solubility of cefixime was increased in the presence of β-CD and was classified as A_L-type. Effect of variable, such as drug:carrier ratio, was studied. Physical characterization of the solid dispersion was characterized by Fourier transform infrared spectroscopy (FT-IR) and Differential scanning calorimetry (DSC). These studies revealed that a distinct loss of drug crystallinity in the solid molecular dispersions is ostensibly accounting for enhancement of dissolution rate in distilled water. The drug release from the prepared solid dispersion exhibited a first order kinetics. Solid dispersions of cefixime showed a 6.77 times fold increase in dissolution rate over the pure drug.

Keywords: β-cyclodextrin, cefixime, dissolution, Kneading method, solid dispersions, release kinetics

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Authors: Mohammed Abed, Rita Nemes

Abstract:

Cellular concrete powder (CCP) is not used widely as supplementary cementitious material, but in the literature, its efficiency is proved when it used as a replacement of cement in concrete mixtures. In this study, different amounts of raw CCP (CCP as a waste material without any industrial modification) will be used to investigate the characteristics of cement pastes and the effects of CCP on the properties of the cement pastes. It is an attempt to produce green binder paste, which is useful for sustainable construction applications. The fresh and hardened properties of a number of CCP blended cement paste will be tested in different life periods, and the optimized CCP volume will be reported with more significant investigations on durability properties. Different replacing of mass percentage (low and high) of the cement mass will be conducted (0%, 10%, 15%, 20%, 30%, 40%, 50%, 60%, 70%, 80%, and 90%). The consistency, flexural strength, and compressive strength will be the base indicator for the further properties' investigations. The CCP replacement until 50% have been tested until 7 days, and the initial results showed a linear relationship between strength and the percentage of the replacement; that is an optimistic indicator for further replacement percentages of waste CCP.

Keywords: cellular concrete powder, supplementary cementitious material, sustainable construction, green concrete

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Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

Abstract:

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using ab-initio calculations. Various configurations of Mn sites and Si and C vacancies were considered. The magnetic coupling between the two Mn atoms at substitutional and interstitials sites with and without vacancies is studied as a function of Mn atoms interatomic distance. It was found that the magnetic interaction energy decreases with increasing distance between the magnetic atoms. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined. The calculated DOS’s are used to analyze the nature of the exchange interaction between the impurities. The band coupling model based on the p-d and d-d level repulsions between Mn and SiC has been used to describe the magnetism observed in each configuration. Furthermore, the impacts of applying U to Mn-d orbital on the magnetic moment have also been investigated. The results are used to understand the experimental data obtained on Mn- 6H-SiC (as-implanted and as –annealed) for various Mn concentration (CMn = 0.7%, 1.6%, 7%).

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

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Authors: Mohamed Al-Hazmi, Abdullah Al-Arfaj, Moussa Ihab

Abstract:

Raw, unpasteurized milk can carry dangerous bacteria such as Salmonella, E. coli, and Listeria, which are responsible for causing numerous foodborne illnesses. The objective of this study was molecular characterization of shiga toxogenic E. coli in raw milk collected from different Egyptian governorates by multiplex PCR. During the period of 25th May to 25th October 2012, a total of 320 bulk-tank milk samples were collected from 10 cow farms located in different Egyptian governorates. Bacteriological examination of milk samples revealed the presence of E. coli organisms in 65 samples (20.3%), serotyping of the E. coli isolates revealed, 35 strains (10.94%) O111, 15 strains (4.69%) O157: H7, 10 strains (3.13%) O128 and 5 strains (1.56%) O119. Multiplex PCR for detection of shiga toxin type 2 and intimin genes revealed positive amplification of 255 bp fragment of shiga toxin type 2 gene and 384 bp fragment of intimin gene from all E. coli serovar O157: H7, while from serovar O111 were 25 (71.43%), 20 (57.14%) and from serovar O128 were 6 (60%), 8 (80%), respectively. The results of multiplex PCR assay are useful for identification of STEC possessing the eaeA and stx2 genes.

Keywords: raw milk, E. coli, multiplex PCR, Shiga toxin type 2, intimin gene

Procedia PDF Downloads 306

Authors: Edreese H. Alsharaeh, Feven Mattews Michael, Ayman Almohsin

Abstract:

Self-healing hydrogels have many advantages since they can resist various types of stresses, including tension, compression, and shear, making them attractive for various applications. In this study, thermo-elastic and self-healing polymer composite hydrogels were prepared from polyacrylamide (PAM) and 2D fillers using in-situ method. In addition, the PAM and fillers were prepared in presence of organic crosslinkers, i.e., hydroquinone (HQ) and hexamethylenediamine (HMT). The swelling behavior of the prepared hydrogels was studied by hydrating the dried hydrogels. The thermal and rheological properties of the prepared hydrogels were evaluated before and after swelling study using thermogravimetric analysis, differential scanning calorimetric technique and dynamic mechanical analysis. From the results obtained, incorporating fillers into the PAM matrix enhanced the swelling degree of the hydrogels with satisfactory mechanical properties, attaining up to 77% self-healing efficiency compared to the neat-PAM (i.e., 29%). This, in turn, indicates addition of 2D fillers improved self-healing properties of the polymer hydrogel, thus, making the prepared hydrogels applicable for water shutoff treatments under high temperature.

Keywords: polymer hydrogels, 2D fillers, elastic self-healing hydrogels, water shutoff, swelling properties

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Authors: Marc Sader, Michiel Stock, Bernard De Baets

Abstract:

Considering a large amount of adsorption data of adsorbate gases on adsorbent materials in literature, it is interesting to predict such adsorption data without experimentation. A quantitative structure-activity relationship (QSAR) is developed to correlate molecular characteristics of gases and existing knowledge of materials with their respective adsorption properties. The application of Random Forest, a machine learning method, on a set of adsorption isotherms at a wide range of partial pressures and concentrations is studied. The predicted adsorption isotherms are fitted to several adsorption equations to estimate the adsorption properties. To impute the adsorption properties of desired gases on desired materials, leave-one-out cross-validation is employed. Extensive experimental results for a range of settings are reported.

Keywords: adsorption, predictive modeling, QSAR, random forest

Procedia PDF Downloads 227