Search results for: molecular interfacial layer

Authors: Christiana Ene Ogwuche, Joseph Amupitan, George Ndukwe, Rachael Ayo

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Maesobotrya barteri (Baill), belonging to the family Euphorbiaceae, is a medicinal plant growing widely in tropical Africa. The Aerial plant parts of Maesobotrya barteri (Baill) were collected fresh from Orokam, Ogbadibo local Government of Benue State, Nigeria in July 2013. Taxonomical identification was done by Mallam Musa Abdullahi at the Herbarium unit of Biological Sciences Department, ABU, Zaria, Nigeria. Pulverized aerial parts of Maesobotrya barteri (960g) was exhaustively extracted successively using petroleum ether, chloroform, ethyl acetate and methanol and concentrated in the rotary evaporator at 40°C. The Petroleum ether extract had the second highest activity against test microbes from preliminary crude microbial screenings. The Petroleum ether extract was subjected to phytochemical studies, antimicrobial analysis and column chromatography (CC). The column chromatography yielded fraction PE, which was further purified using preparative thin layer chromatography to give PE1. The structure of the isolated compound was established using 1-D NMR and 2-D NMR spectroscopic analysis and by direct comparison with data reported in literature was confirmed to be a mixture, an isomer of Betulinic acid and Oleanolic acid, both with the molecular weight (C₃₀H₄₈O₃). The bioactivity of this compound was carried out using some clinical pathogens and the activity compared with standard drugs, and this was found to be comparable with the standard drug.

Keywords: Maesobotrya barteri, medicinal plant, bioactivity, petroleum spirit extract, butellinic acid, oleanilic acid

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Authors: Katherine Dropiewski, Michael Yakimov, Vadim Tokranov, Allan Minns, Pavel Murat, Serge Oktyabrsky

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InAs Quantum Dots (QDs) in a GaAs matrix is a well-documented luminescent material with high light yield, as well as thermal and ionizing radiation tolerance due to quantum confinement. These benefits can be leveraged for high-efficiency, room temperature scintillation detectors. The proposed scintillator is composed of InAs QDs acting as luminescence centers in a GaAs stopping medium, which also acts as a waveguide. This system has appealing potential properties, including high light yield (~240,000 photons/MeV) and fast capture of photoelectrons (2-5ps), orders of magnitude better than currently used inorganic scintillators, such as LYSO or BaF2. The high refractive index of the GaAs matrix (n=3.4) ensures light emitted by the QDs is waveguided, which can be collected by an integrated photodiode (PD). Scintillation structures were grown using Molecular Beam Epitaxy (MBE) and consist of thick GaAs waveguiding layers with embedded sheets of modulation p-type doped InAs QDs. An AlAs sacrificial layer is grown between the waveguide and the GaAs substrate for epitaxial lift-off to separate the scintillator film and transfer it to a low-index substrate for waveguiding measurements. One consideration when using a low-density material like GaAs (~5.32 g/cm³) as a stopping medium is the matrix thickness in the dimension of radiation collection. Therefore, luminescence properties of very thick (4-20 microns) waveguides with up to 100 QD layers were studied. The optimization of the medium included QD shape, density, doping, and AlGaAs barriers at the waveguide surfaces to prevent non-radiative recombination. To characterize the efficiency of QD luminescence, low temperature photoluminescence (PL) (77-450 K) was measured and fitted using a kinetic model. The PL intensity degrades by only 40% at RT, with an activation energy for electron escape from QDs to the barrier of ~60 meV. Attenuation within the waveguide (WG) is a limiting factor for the lateral size of a scintillation detector, so PL spectroscopy in the waveguiding configuration was studied. Spectra were measured while the laser (630 nm) excitation point was scanned away from the collecting fiber coupled to the edge of the WG. The QD ground state PL peak at 1.04 eV (1190 nm) was inhomogeneously broadened with FWHM of 28 meV (33 nm) and showed a distinct red-shift due to self-absorption in the QDs. Attenuation stabilized after traveling over 1 mm through the WG, at about 3 cm⁻¹. Finally, a scintillator sample was used to test detection and evaluate timing characteristics using 5.5 MeV alpha particles. With a 2D waveguide and a small area of integrated PD, the collected charge averaged 8.4 x10⁴ electrons, corresponding to a collection efficiency of about 7%. The scintillation response had 80 ps noise-limited time resolution and a QD decay time of 0.6 ns. The data confirms unique properties of this scintillation detector which can be potentially much faster than any currently used inorganic scintillator.

Keywords: GaAs, InAs, molecular beam epitaxy, quantum dots, III-V semiconductor

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Authors: Barbara Farinon, Maurizio E. Picarella, Lorenzo Mancini, Andrea Mazzucato

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Italy is notoriously a secondary center of diversification for cultivated tomatoes (Solanum lycopersicum L.). The study of phenotypic and genetic diversity in landrace collections is important for germplasm conservation and biodiversity protection. Here, we set up to study the germplasm collected in the region of Lazio in Central Italy with a focus on the distinctiveness among landraces and the attribution of membership to unnamed accessions. Our regional collection included 30 accessions belonging to six different locally recognized landraces and 21 unnamed accessions. All accessions were gathered in Lazio and belonged to the collection held at the Regional Agency for the Development and Innovation of Agriculture in Lazio (ARSIAL, in the application of the Regional Act n. 15/2000, funded by Lazio Rural Development Plan 2014 – 2020 Agro-environmental Measure, Action 10.2.1) and at the University of Tuscia. We included 13 control genotypes as references. The collection showed wide phenotypic variability for several traits, such as fruit weight (range 14-277 g), locule number (2-12), shape index (0.54-2.65), yield (0.24-3.08 kg/plant), and soluble solids (3.4-7.5 °B). A few landraces showed uncommon phenotypes, such as potato leaf, colorless fruit epidermis, or delayed ripening. Multivariate analysis of 25 cardinal phenotypic variables grouped the named varieties and allowed to assign of some of the unnamed to recognized groups. A case study for distinctiveness is presented for the flattened-ribbed types that presented overlapping distribution according to the phenotypic data. Molecular markers retrieved by previous studies revealed differences compared to the phenotyping clustering, indicating that the named varieties “Scatolone di Bolsena” and “Pantano Romanesco” belong to the Marmande group, together with the reference landrace from Tuscany “Costoluto Fiorentino”. Differently, the landrace “Spagnoletta di Formia e Gaeta” was clearly distinct from the former at the molecular level. Therefore, a genotypic analysis of the analyzed collection appears needed to better define the molecular distinctiveness among the flattened-ribbed accessions, as well as to properly attribute the membership group of the unnamed accessions.

Keywords: distinctiveness, flattened-ribbed fruits, regional landraces, tomato

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Authors: Jamel Miri, Bechir Nsiri, Ridha Bouallegue

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Ultra WidBand-IR physical layer technology has seen a great development during the last decade which makes it a promising candidate for short range wireless communications, as they bring considerable benefits in terms of connectivity and mobility. However, like all wireless communication they suffer from vulnerabilities in terms of security because of the open nature of the radio channel. To face these attacks, distance bounding protocols are the most popular counter measures. In this paper, we presented a protocol based on distance bounding to thread the most popular attacks: Distance Fraud, Mafia Fraud and Terrorist fraud. In our work, we study the way to adapt the best secure distance bounding protocols to mapping code of ultra-wideband (TH-UWB) radios. Indeed, to ameliorate the performances of the protocol in terms of security communication in TH-UWB, we combine the modified protocol to ultra-wideband impulse radio technology (IR-UWB). The security and the different merits of the protocols are analyzed.

Keywords: distance bounding, mapping code ultrawideband, terrorist fraud, physical layer technology

Procedia PDF Downloads 299

Authors: Ria Ghosh, Soumendra Singh, Dipanjan Mukherjee, Susmita Mondal, Monojit Das, Uttam Pal, Aniruddha Adhikari, Aman Bhushan, Surajit Bose, Siddharth Sankar Bhattacharyya, Debasish Pal, Tanusri Saha-Dasgupta, Maitree Bhattacharyya, Debasis Bhattacharyya, Asim Kumar Mallick, Ranjan Das, Samir Kumar Pal

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Drug delivery to a target without adverse effects is one of the major criteria for clinical use. Herein, we have made an attempt to explore the delivery efficacy of SDS surfactant in a monomer and micellar stage during the delivery of the model drug, Toluidine Blue (TB) from the micellar cavity to DNA. Molecular recognition of pre-micellar SDS encapsulated TB with DNA occurs at a rate constant of k1 ~652 s 1. However, no significant release of encapsulated TB at micellar concentration was observed within the experimental time frame. This originated from the higher binding affinity of TB towards the nano-cavity of SDS at micellar concentration which does not allow the delivery of TB from the nano-cavity of SDS micelles to DNA. Thus, molecular recognition controls the extent of DNA recognition by TB which in turn modulates the rate of delivery of TB from SDS in a concentration-dependent manner.

Keywords: DNA, drug delivery, micelle, pre-micelle, SDS, toluidine blue

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Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

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Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

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Authors: Amna J. Ghith, Khaled Abu Zid, Khairia Youssef, Nasser Saad

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Backgrounds: The multikinase and vascular endothelial growth factor (VEGF) receptor inhibitors interrupt the pathway by which angiogenesis becomes established and promulgated, resulting in the inadequate nourishment of metastatic disease. VEGFR-2 has been the principal target of anti-angiogenic therapies. We disclose the new thieno pyrimidines as inhibitors of VEGFR-2 designed by a molecular modeling approach with increased synergistic activity and decreased side effects. Purpose: 2-substituted thieno pyrimidines are designed and synthesized with anticipated anticancer activity based on its in silico molecular docking study that supports the initial pharmacophoric hypothesis with a same binding mode of interaction at the ATP-binding site of VEGFR-2 (PDB 2QU5) with high docking score. Methods: A series of compounds were designed using discovery studio 4.1/CDOCKER with a rational that mimic the pharmacophoric features present in the reported active compounds that targeted VEGFR-2. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. Results: The Compounds to be synthesized showed interaction energy comparable to or within the range of the benzimidazole inhibitor ligand when docked with VEGFR-2. ADMET study showed comparable results most of the compounds showed absorption within (95-99) zone varying according to different substitutions attached to thieno pyrimidine ring system. Conclusions: A series of 2-subsituted thienopyrimidines are to be synthesized with anticipated anticancer activity and according to docking study structure requirement for the design of VEGFR-2 inhibitors which can act as powerful anticancer agents.

Keywords: docking, discovery studio 4.1/CDOCKER, heterocycles based anticancer agents, 2-subsituted thienopyrimidines

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Authors: Sandrine Dourdain, Cesar Lopez, Tamir Sukhbaatar, Guilhem Arrachart, Stephane Pellet-Rostaing

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A promising challenge in solvent extraction is to replace the conventional organic solvents, with ionic liquids (IL). Depending on the extraction systems, these new solvents show better efficiency than the conventional ones. Although some assumptions based on ions exchanges have been proposed in the literature, these properties are not predictable because the involved mechanisms are still poorly understood. It is well established that the mechanisms underlying solvent extraction processes are based not only on the molecular chelation of the extractant molecules but also on their ability to form supra-molecular aggregates due to their amphiphilic nature. It is therefore essential to evaluate how IL affects the aggregation properties of the extractant molecules. Our aim is to evaluate the influence of IL structure and polarity on solvent extraction mechanisms, by looking at the aggregation of the extractant molecules in IL. We compare extractant systems that are well characterized in common solvents and show thanks to SAXS and SANS measurements, that in the absence of IL ion exchange mechanisms, extraction properties are related to aggregation.

Keywords: solvent extraction in Ionic liquid, aggregation, Ionic liquids structure, SAXS, SANS

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Authors: Hossein Mohammadi Rouzbahani, Hadis Karimipour, Evan Fraser, Ali Dehghantanha, Emily Duncan, Arthur Green, Conchobhair Russell

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Human population growth has driven rising demand for food that has, in turn, imposed huge impacts on the environment. In an effort to reconcile our need to produce more sustenance while also protecting the world’s ecosystems, farming is becoming more reliant on smart tools and communication technologies. Developing a smart farming framework allows farmers to make more efficient use of inputs, thus protecting water quality and biodiversity habitat. Internet of Things (IoT), which has revolutionized every sphere of the economy, is being applied to agriculture by connecting on-farm devices and providing real-time monitoring of everything from environmental conditions to market signals through to animal health data. However, utilizing IoT means farming networks are now vulnerable to malicious activities, mostly when wireless communications are highly employed. With that in mind, this research aims to review different utilized communication technologies in smart farming. Moreover, possible cyber-attacks are investigated to discover the vulnerabilities of communication technologies considering the most frequent cyber-attacks that have been happened.

Keywords: smart farming, Internet of Things, communication layer, cyber-attack

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Authors: Nirav J. Patel, Kalpesh K. Dudani

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Partial discharge (PD) is the dissipation of energy caused by localized breakdown of insulation. Power transformers are one of the most important components in the electrical energy network. Insulation degradation of transformer is frequently linked to PD. This is why PD detection is used in power system to monitor the health of high voltage transformer. If such problem are not detected and repaired, the strength and frequency of PD may increase and eventually lead to the catastrophic failure of the transformer. This can further cause external equipment damage, fires and loss of revenue due to an unscheduled outage. Hence, reliable online PD detection is a critical need for power companies to improve personnel safety and decrease the probability of loss of service. The PD phenomenon is manifested in a variety of physically observable signals including Ultra High Frequency (UHF) radiation and Acoustic Disturbances, Electrical pulses. Acoustic method is based on sensing the radiated acoustic emission from discharge sites in the insulation. Propagated wave from the PD fault site are captured sensor are consequently pre-amplified, filtered, recorded and analyze.

Keywords: acoustic, partial discharge, perfectly matched layer, sensor

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Authors: Rong-Yang Lai, Jia-Yu Wu, Chih-Han Chang, Yung-Chung Chen

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The dental bridge is one of the clinical methods of the treatment for missing teeth. The dental bridge is generally designed for two layers, containing the inner layer of the framework(zirconia) and the outer layer of the porcelain-fused to framework restorations. The design of a conventional bridge is generally based on the antagonist tooth profile so that the framework evenly indented by an equal thickness from outer contour. All-ceramic dental bridge made of zirconia have well demonstrated remarkable potential to withstand a higher physiological occlusal load in posterior region, but it was found that there is still the risk of all-ceramic bridge failure in five years. Thus, how to reduce the incidence of failure is still a problem to be solved. Therefore, the objective of this study is to develop mechanical designs for all-ceramic dental bridges framework by reducing the stress and enhancing fracture resistance under given loading conditions by finite element method. In this study, dental design software is used to design dental bridge based on tooth CT images. After building model, Bi-directional Evolutionary Structural Optimization (BESO) Method algorithm implemented in finite element software was employed to analyze results of finite element software and determine the distribution of the materials in dental bridge; BESO searches the optimum distribution of two different materials, namely porcelain and zirconia. According to the previous calculation of the stress value of each element, when the element stress value is higher than the threshold value, the element would be replaced by the framework material; besides, the difference of maximum stress peak value is less than 0.1%, calculation is complete. After completing the design of dental bridge, the stress distribution of the whole structure is changed. BESO reduces the peak values of principle stress of 10% in outer-layer porcelain and avoids producing tensile stress failure.

Keywords: dental bridge, finite element analysis, framework, automatic program

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Authors: Saif N. Al-Bahry, Yahya M. Al-Wahaibi, Abdulkadir E. Elshafie, Ali S. Al-Bemani, Sanket J. Joshi

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Environmental pollution is a global problem and best possible solution is identifying and utilizing native microorganisms. One possible application of microbial product -biosurfactant is in bioremediation of hydrocarbon contaminated sites. We have screened forty two different petroleum contaminated sites from Oman, for biosurfactant producing spore-forming bacterial isolates. Initial screening showed that out of 42 soil samples, three showed reduction in surface tension (ST) and interfacial tension (IFT) within 24h of incubation at 40°C. Out of those 3 soil samples, one was further selected for isolation of bacteria and 14 different bacteria were isolated in pure form. Of those 14 spore-forming, rod shaped bacteria, two showed highest reduction in ST and IFT in the range of 70mN/m to < 35mN/m and 26.69mN/m to < 9mN/m, respectively within 24h. These bacterial biosurfactants may be utilized for bioremediation of oil-spills.

Keywords: bioremediation, hydrocarbon pollution, spore-forming bacteria, bio-surfactant

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Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria

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The DNA G-quadruplex is a four-stranded DNA structure formed by stacked planes of four base paired guanines (G-quartet). Guanine rich DNA sequences appear in many sites of genomic DNA and can potential form G-quadruplexes, such as those occurring at 3'-terminus of the human telomeric DNA. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to down regulate oncogene expression making G-quadruplex an attractive target for anticancer therapy. Many G-quadruplex ligands have been proposed with a planar core to facilitate the pi–pi stacking and electrostatic interactions with the G-quartets. However, many drug candidates are impossibilitated to discriminate a G-quadruplex from a double helix DNA structure. In this context, it is important to investigate the site topology for the interaction of a G-quadruplex with a ligand. In this work, we determine the free energy surface of a G-quadruplex-ligand to study the binding modes of the G-quadruplex (TG4T) with the daunomycin (DM) drug. The complex TG4T-DM is studied using classical molecular dynamics in combination with metadynamics simulations. The metadynamics simulations permit an enhanced sampling of the conformational space with a modest computational cost and obtain free energy surfaces in terms of the collective variables (CV). The free energy surfaces of TG4T-DM exhibit other local minima, indicating the presence of additional binding modes of daunomycin that are not observed in short MD simulations without the metadynamics approach. The results are compared with similar calculations on a different structure (the mutated mu-G4T-DM where the 5' thymines on TG4T-DM have been deleted). The results should be of help to design new G-quadruplex drugs, and understand the differences in the recognition topology sites of the duplex and quadruplex DNA structures in their interaction with ligands.

Keywords: g-quadruplex, cancer, molecular dynamics, metadynamics

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Authors: Jayesh Mahitkar, V. K. Singh, Surendra Singh Kachhwaha

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Wire Mesh Heat Pipe (WMHP) as an effective component of thermal control system in the payload of spacecraft, utilizing ammonia to transfer efficient amount of heat. One dimensional generic and robust mathematical model with partial-analytical hydraulic approach (PAHA) is developed to study inside behaviour of WMHP. In this model, inside performance during operation is investigated like mass flow rate, and velocity along the wire mesh as well as vapour core is modeled respectively. This numerical model investigate heat flow along length, pressure drop along wire mesh as well as vapour line in axial direction. Furthermore, WMHP is modeled into equivalent resistance network such that total thermal resistance of heat pipe, temperature drop across evaporator end and condenser end is evaluated. This numerical investigation should be carried out for single layer and double layer wire mesh each with heat input at evaporator section is 10W, 20 W and 30 W at condenser temperature maintained at 20˚C.

Keywords: ammonia, heat transfer, modeling, wire mesh

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Authors: Gloria James, S. K. Nema, T. S. Anantha Singh, P. Vadivel Murugan

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The usage of tyre has increased enormously in day to day life. The used tyre and rubber products pose major threat to the environment. Conventional thermal techniques such as low temperature pyrolysis and incineration produce high molecular organic compounds (condensed and collected as aromatic oil) and carbon soot particles. Plasma gasification technique can dispose tyre waste and generate combustible gases and avoid the formation of high molecular aromatic compounds. These gases generated in plasma gasification process can be used to generate electricity or as fuel wherever required. Although many experiments have been done on plasma pyrolysis of tyres, very little work has been done on plasma gasification of tyres. In this work plasma gasification of waste tyres have been conducted in a fixed bed reactor having graphite electrodes and direct current (DC) arc plasma system. The output of this work has been compared with the previous work done on plasma pyrolysis of tyres by different authors. The aim of this work is to compare different process based on gas generation, efficiency of the process and explore the most effective option for energy recovery from waste tyres.

Keywords: plasma, gasification, syngas, tyre waste

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Authors: M. D. Dogara, G. C. Afuwai, O. O. Esther, A. M. Dawai

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The geology of Northern Nigeria is under intense investigation particularly that of the northwest believed to be of the basement complex. The variability of the lithology is consistently inconsistent. Hence, the need for a close range study, it is, in view of the above that, two geophysical techniques, the vertical electrical sounding employing the Schlumberger array and seismic refraction methods, were used to delineate the geoelectric and geovelocity parameters of the basement complex of northwestern Nigeria. A total area of 400,000 m² was covered with sixty geoelectric stations established and sixty sets of seismic refraction data collected using the forward and reverse method. From the interpretation of the resistivity data, it is suggestive that the area is underlain by not more than five geoelectric layers of varying thicknesses and resistivities when a maximum half electrode spread of 100m was used. The result of the interpreted seismic data revealed two geovelocity layers, with velocities ranging between 478m/s to 1666m/s for the first layer and 1166m/s to 7141m/s for the second layer. The results of the two techniques, suggests that the area of study has an undulating bedrock topography with geoeletric and geovelocity layers composed of weathered rock materials.

Keywords: basement complex, delineation, geoelectric, geovelocity, Nigeria

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Authors: Michael Josef Schwerer

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Background: Analyzing any aircraft accident is mandatory based on the regulations of the International Civil Aviation Organization and the respective country’s criminal prosecution authorities. Legal medicine investigations are unavoidable when fatalities involve the flight crew or when doubts arise concerning the pilot’s aeromedical health status before the event. As a result of frequently tremendous blunt and sharp force trauma along with the impact of the aircraft to the ground, consecutive blast or fire exposition of the occupants or putrefaction of the dead bodies in cases of delayed recovery, relevant findings can be masked or destroyed and therefor being inaccessible in standard pathology practice comprising just forensic autopsy and histopathology. Such cases are of considerable risk of remaining unsolved without legal consequences for those responsible. Further, no lessons can be drawn from these scenarios to improve flight safety and prevent future mishaps. Aims and Methods: To learn from previously unsolved aircraft accidents, re-evaluations of the investigation files and modern molecular pathology studies were performed. Genetic testing involved predominantly PCR-based analysis of gene regulation, studying DNA promotor methylations, RNA transcription and posttranscriptional regulation. In addition, the presence or absence of infective agents, particularly DNA- and RNA-viruses, was studied. Technical adjustments of molecular genetic procedures when working with archived sample material were necessary. Standards for the proper interpretation of the respective findings had to be settled. Results and Discussion: Additional molecular genetic testing significantly contributes to the quality of forensic pathology assessment in aviation mishaps. Previously undetected cardiotropic viruses potentially explain e.g., a pilot’s sudden incapacitation resulting from cardiac failure or myocardial arrhythmia. In contrast, negative results for infective agents participate in ruling out concerns about an accident pilot’s fitness to fly and the aeromedical examiner’s precedent decision to issue him or her an aeromedical certificate. Care must be taken in the interpretation of genetic testing for pre-existing diseases such as hypertrophic cardiomyopathy or ischemic heart disease. Molecular markers such as mRNAs or miRNAs, which can establish these diagnoses in clinical patients, might be misleading in-flight crew members because of adaptive changes in their tissues resulting from repeated mild hypoxia during flight, for instance. Military pilots especially demonstrate significant physiological adjustments to their somatic burdens in flight, such as cardiocirculatory stress and air combat maneuvers. Their non-pathogenic alterations in gene regulation and expression will likely be misinterpreted for genuine disease by inexperienced investigators. Conclusions: The growing influence of molecular pathology on legal medicine practice has found its way into aircraft accident investigation. As appropriate quality standards for laboratory work and data interpretation are provided, forensic genetic testing supports the medico-legal analysis of aviation mishaps and potentially reduces the number of unsolved events in the future.

Keywords: aviation medicine, aircraft accident investigation, forensic pathology, molecular pathology

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Authors: Yijin Kang

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Chemical-electrical energy conversion and storage are greatly attractive for the development of sustainable energy. Catalytic processes are heavily involved in such energy conversion and storage. Development of high-performance catalyst nanomaterials relies on tuning material structures at nanoscale. This is in particular manifested in the design of catalysts demanding both high activity and durability. Here, a research system will be presented that connects fundamental investigation on well-defined extended surfaces (e.g. single crystal surfaces), extrapolation onto nanocrystals with highly controlled shape and size, exploration of interfacial interaction using novel nanocrystal superlattices as platform, and finally design of high performance catalysts in which all the possible beneficial properties from complex functional structures are implemented. Using recently published results, it will be demonstrated that optimal and fine balanced activity and durability, as well as tunable functionality, can be achieved by carefully tailoring the nanostructure of catalytic nanomaterials.

Keywords: energy, nanomaterials, catalysis, electrocatalysis

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Authors: Hossein Agheshlui, Stephan Matthai

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In fractured rock masses open fractures tend to act as the main pathways of fluid flow. The permeability of a rock fracture depends on its aperture. The change of aperture with stress can cause a many-orders-of-magnitude change in the hydraulic conductivity at moderate compressive stress levels. In this study, the change of aperture in fragmented rocks is investigated using finite element analysis. A full 3D mechanical model of a simplified version of an outcrop analog is created and studied. A constant initial aperture value is applied to all fractures. Different far field stresses are applied and the change of aperture is monitored considering the block to block interaction. The fragmented rock layer is assumed to be sandwiched between softer layers. Frictional contact forces are defined at the layer boundaries as well as among contacting rock blocks. For a given in situ stress, the blocks slide and contact each other, resulting in new aperture distributions. A map of changed aperture is produced after applying the in situ stress and compared to the initial apertures. Subsequently, the permeability of the system before and after the stress application is compared.

Keywords: fractured rocks, mechanical model, aperture change due to stress, frictional interface

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Authors: Frie Ayalew, Seada Hussen

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Ethio-telecom holds a variety of telecom devices that needs a consistent power source to be operational. The company got this power mainly from the national grid and used this power source alone or with a generator and/or batteries as a backup. In addition, for off-grid or remote areas, the company commonly uses generators and batteries. But unstable diesel prices, huge expenses of fuel and transportation, and high carbon emissions are the main problems associated with fuel energy. So, the design of solar power with battery backup is a highly recommended and advantageous source for the next coming years. This project designs the AC and DC standalone photovoltaic supply to Ethio-telecom access layer devices for the case of multi-service access gateway in Adama. The design is done by using Homer software for both AC and DC loads. The project shows that the design of a solar based microgrid is the best option for the designed area.

Keywords: solar power, battery, inverter, Ethio-telecom, solar radiation

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Authors: Staņislavs Gendelis, Andris Jakovičs, Jānis Ratnieks, Aigars Laizāns, Dāvids Vardanjans

Abstract:

Dehumidification of biogas at the biomass plants is very important to provide the energy efficient burning of biomethane at the outlet. A few methods are widely used to reduce the water content in biogas, e.g. chiller/heat exchanger based cooling, usage of different adsorbents like PSA, or the combination of such approaches. A quite different method of biogas dehumidification is offered and analyzed in this paper. The main idea is to direct the flow of biogas from the plant around it downwards; thus, creating additional insulation layer. As the temperature in gas shell layer around the plant will decrease from ~ 38°C to 20°C in the summer or even to 0°C in the winter, condensation of water vapor occurs. The water from the bottom of the gas shell can be collected and drain away. In addition, another upward shell layer is created after the condensate drainage place on the outer side to further reducing heat losses. Thus, counterflow biogas heat exchanger is created around the biogas plant. This research work deals with the numerical modelling of biogas flow, taking into account heat exchange and condensation on cold surfaces. Different kinds of boundary conditions (air and ground temperatures in summer/winter) and various physical properties of constructions (insulation between layers, wall thickness) are included in the model to make it more general and useful for different biogas flow conditions. The complexity of this problem is fact, that the temperatures in both channels are conjugated in case of low thermal resistance between layers. MATLAB programming language is used for multiphysical model development, numerical calculations and result visualization. Experimental installation of a biogas plant’s vertical wall with an additional 2 layers of polycarbonate sheets with the controlled gas flow was set up to verify the modelling results. Gas flow at inlet/outlet, temperatures between the layers and humidity were controlled and measured during a number of experiments. Good correlation with modelling results for vertical wall section allows using of developed numerical model for an estimation of parameters for the whole biogas dehumidification system. Numerical modelling of biogas counterflow heat exchanger system placed on the plant’s wall for various cases allows optimizing of thickness for gas layers and insulation layer to ensure necessary dehumidification of the gas under different climatic conditions. Modelling of system’s defined configuration with known conditions helps to predict the temperature and humidity content of the biogas at the outlet.

Keywords: biogas dehumidification, numerical modelling, condensation, biogas plant experimental model

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Authors: Abdalla A. Elbashir, Maali Saad Mokhtar, FakhrEldin O. Suliman

Abstract:

The inclusion complexes of imazapyr (IMA) with 2-hydroxypropyl(β/γ) cyclodextrins (HP β/γ-CD), have been studied in aqueous media and in the solid state. In this work, fluorescence spectroscopy, electrospray-ionization mass spectrometry (ESI-MS), and HNMR were used to investigate and characterize the inclusion complexes of IMA with the cyclodextrins in solutions. The solid-state complexes were obtained by freeze-drying and were characterized by Fourier transform infrared spectroscopy (FTIR), and powder X-ray diffraction (PXRD). The most predominant complexes of IMA with both hosts are the 1:1 guest: host complexes. The association constants of IMA-HP β-CD and IMA-HP γ -CD were 115 and 215 L mol⁻¹, respectively. Molecular dynamic (MD) simulations were used to monitor the mode of inclusion and also to investigate the stability of these complexes in aqueous media at atomistic levels. The results obtained have indicated that these inclusion complexes are highly stable in aqueous media, thereby corroborating the experimental results. Additionally, it has been demonstrated that in addition to hydrophobic interactions and van der Waals interactions the presence of hydrogen bonding interactions of the type H---O and CH---O between the guest and the host have enhanced the stability of these complexes remarkably.

Keywords: imazapyr, inclusion complex, herbicides, 2-hydroxypropyl-β/γ-cyclodextrin

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Authors: Daniella R. Mulinari, Araujo J. F. Marina, Gabriella S. Lopes

Abstract:

Natural fibers are used in polymer composites to improve mechanical properties, substituting inorganic reinforcing agents produced by non-renewable resources. The present study investigates the tensile, flexural and impact behaviors of palm fibers-high density polyethylene (HDPE) composite as a function of volume fraction. The surface of the fibers was modified by mercerization treatments to improve the wetting behavior of the apolar HDPE. The treatment characterization was obtained by scanning electron microscopy, X-Ray diffraction and infrared spectroscopy. Results evidence that a good adhesion interfacial between fibers-matrix causing an increase strength and modulus flexural as well as impact strength in the modified fibers/HDPE composites when compared to the pure HDPE and unmodified fibers reinforced composites.

Keywords: palm fibers, polymer composites, mechanical properties, high density polyethylene (HDPE)

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Authors: Kornkanok Noulta, Pornsri Pakeyangkoon, Stephen T. Dubas, Pomthong Malakul, Manit Nithithanakul

Abstract:

In recent years, interest in the development of material for tissue engineering application has increased considerably. Poly(High Internal Phase Emulsion) (PolyHIPE) foam is a material that is good candidate for used in tissue engineering application due to its 3D structure and highly porous with interconnected pore. The PolyHIPE was prepared from poly (styrene/ethylene glycol dimethacrylate) through high internal phase emulsion polymerization technique and loaded with hydroxyapatite (HA) to improve biocompatibility. To further increase hydrophilicity of the obtained polyHIPE, layer-by-layer polyelectrolyte multilayers (PEM) technique was used. A surface property of polyHIPE was characterized by contact angle measurement. Morphology and pore size was observed by scanning electron microscope (SEM). The cell viability was revealed by the 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide (MTT) assay technique.

Keywords: polyelectrolyte multilayer thin film, high internal phase emulsion, polyhipe foam, scaffold, tissue engineering

Procedia PDF Downloads 351

Authors: W. S. Thulasitha, N. Umasuthan, G. I. Godahewa, Jehee Lee

Abstract:

In fish, innate immune defense is the first immune response against microbial pathogens which consists of several antimicrobial components. Galectins are one of the carbohydrate binding lectins that have the ability to identify pathogen by recognition of pathogen associated molecular patterns. Galectins play a vital role in the regulation of innate and adaptive immune responses. Rock bream Oplegnathus fasciatus is one of the most important cultured species in Korea and Japan. Considering the losses due to microbial pathogens, present study was carried out to understand the molecular and functional characteristics of a galectin in normal and pathogenic conditions, which could help to establish an understanding about immunological components of rock bream. Complete cDNA of rock bream galectin like protein B (rbGal like B) was identified from the cDNA library, and the in silico analysis was carried out using bioinformatic tools. Genomic structure was derived from the BAC library by sequencing a specific clone and using Spidey. Full length of rbGal like B (contig14775) cDNA containing 517 nucleotides was identified from the cDNA library which comprised of 435 bp in the open reading frame encoding a deduced protein composed of 145 amino acids. The molecular mass of putative protein was predicted as 16.14 kDa with an isoelectric point of 8.55. A characteristic conserved galactose binding domain was located from 12 to 145 amino acids. Genomic structure of rbGal like B consisted of 4 exons and 3 introns. Moreover, pairwise alignment showed that rock bream rbGal like B shares highest similarity (95.9 %) and identity (91 %) with Takifugu rubripes galectin related protein B like and lowest similarity (55.5 %) and identity (32.4 %) with Homo sapiens. Multiple sequence alignment demonstrated that the galectin related protein B was conserved among vertebrates. A phylogenetic analysis revealed that rbGal like B protein clustered together with other fish homologs in fish clade. It showed closer evolutionary link with Takifugu rubripes. Tissue distribution and expression patterns of rbGal like B upon immune challenges were performed using qRT-PCR assays. Among all tested tissues, level of rbGal like B expression was significantly high in gill tissue followed by kidney, intestine, heart and spleen. Upon immune challenges, it showed an up-regulated pattern of expression with Edwardsiella tarda, rock bream irido virus and poly I:C up to 6 h post injection and up to 24 h with LPS. However, In the presence of Streptococcus iniae rbGal like B showed an up and down pattern of expression with the peak at 6 - 12 h. Results from the present study revealed the phylogenetic position and role of rbGal like B in response to microbial infection in rock bream.

Keywords: galectin like protein B, immune response, Oplegnathus fasciatus, molecular characterization

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Authors: Siti Rahmah Shamsuri, Eiichiro Matsubara, Shohei Shiomi

Abstract:

The 1D nanomaterial is far surpassed the 0D nanomaterial. It does not just offer most of the benefit of the 0D nanomaterial such as the large surface area, a great number of active site and an efficient interfacial charge transfer but also can assemble into free-standing and flexible electrode due to their high aspect ratio. Thus, it is essential to develop a simple and ease synthesis of this 1D nanomaterial for the practical application. Here, nickel nanowire/cellulose hybrid has been successfully fabricated via a simple liquid-phase method with the assist of the magnetic field. A finer nickel nanowire was heterogeneously nucleated on the surface of the cellulose fiber, which demonstrated the effect of the hydroxyl group on the cellulose structure. The result of the nickel nanowire size was found to vary from 66-114 nm. A detailed discussion on the mechanism of the nickel nanowire/ cellulose hybrid formation is also shown in this paper.

Keywords: cellulose nanofiber, liquid-phase reduction, metal nanowire, nano hybrid material

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Authors: Fangtian Fan, Zhaoguo Liu, Yin Lu

Abstract:

Early recurrence (ER) (< 1 year) after liver resection is one of the most important factors that impacts the prognosis of patients with hepatocellular carcinoma (HCC). However, the molecular mechanisms and predictive indexes of ER after curative resection remain largely unknown. The present study aimed to exploit the role of EGFR signaling in EMT and early recurrence of HCC after curative resection and elucidate the molecular mechanisms. Our results showed that nuclear beta-catenin / PKM2 was a independent predictor of early recurrence after curative resection in EGFR-overexpressed HCC. Mechanistic investigation indicated that nuclear accumulation of beta-catenin and PKM2 induced by EGFR signal promoted HCC cell invasion and proliferation, which were required for early recurrence of HCC. These effects were mediated by PI3K/AKT and ERK pathways rather than the canonical Wnt signaling. In conclusions, EGFR signal induced-nuclear translocation of beta-catenin and PKM2 promotes HCC malignancy and indicates early recurrence after curative resection.

Keywords: beta-catenin, early recurrence, hepatocellular carcinoma, malignancy, PKM2

Procedia PDF Downloads 357

Authors: B. Z. Manuel, H. D. Esmeralda, H. S. Felipe, D. R. Héctor, D. de la Torre Sebastián, R. L. Diego

Abstract:

Aluminum Matrix Composites reinforced with nanocrystalline Ni3Al carbon-coated intermetallic particles, were synthesized by powder metallurgy. Powder mixture of aluminum with 0.5-volume fraction of reinforcement particles was compacted by spark plasma sintering (SPS) technique and the compared with conventional sintering process. The better results for SPS technique were obtained in 520ºC-5kN-3min.The hardness (70.5±8 HV) and the elastic modulus (95 GPa) were evaluated in function of sintering conditions for SPS technique; it was found that the incorporation of these kind of reinforcement particles in aluminum matrix improve its mechanical properties. The densities were about 94% and 97% of the theoretical density. The carbon coating avoided the interfacial reaction between matrix-particle at high temperature (520°C) without show composition change either intermetallic dissolution.

Keywords: aluminum matrix composites, intermetallics, spark plasma sintering, nanocrystalline

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Authors: L. Rakesh, T. Y. Heblekar

Abstract:

This study entails the development and optimization of a mathematical model for a floating drum biogas reactor from first principles using thermal and empirical considerations. The model was derived on the basis of mass conservation, lumped mass heat transfer formulations and empirical biogas formation laws. The treatment leads to a system of coupled nonlinear ordinary differential equations whose solution mapped four-time independent controllable parameters to five output variables which adequately serve to describe the reactor performance. These equations were solved numerically using fourth order Runge-Kutta method for a range of input parameter values. Using the data so obtained an Artificial Neural Network with a single hidden layer was trained using Levenberg-Marquardt Damped Least Squares (DLS) algorithm. This network was then fine-tuned for optimal mapping by varying hidden layer size. This fast forward model was then employed as a health score generator in the Bacterial Foraging Optimization code. The optimal operating state of the simplified Biogas reactor was thus obtained.

Keywords: biogas, floating drum reactor, neural network model, optimization

Procedia PDF Downloads 143

Authors: Innocent O. Arukalam, Emeka E. Oguzie

Abstract:

Interest in the development of eco-friendly anti-corrosion coatings using bio-based renewable materials is gaining momentum recently. To this effect, chitin biopolymer, which is non-toxic, biodegradable, and inherently possesses anti-microbial property, was successfully synthesized from snail shells and used as a filler in the preparation of epoxy coating. The chitin particles were characterized with contact angle goniometer, scanning electron microscope (SEM), Fourier transform infrared (FTIR) spectrophotometer, and X-ray diffractometer (XRD). The performance of the coatings was evaluated by immersion and electrochemical impedance spectroscopy (EIS) tests. Electronic structure properties of the coating ingredients and molecular level interaction of the corrodent and coated Q235 steel were appraised by quantum chemical computations (QCC) and molecular dynamics (MD) simulation techniques, respectively. The water contact angle (WCA) measurement of chitin particles was found to be 129.3o while that of chitin particles modified with amino trimethoxy silane (ATMS) was 149.6o, suggesting it is highly hydrophobic. Immersion and EIS analyses revealed that epoxy coating containing silane-modified chitin exhibited lowest water absorption and highest barrier as well as anti-corrosion performances. The QCC showed that quantum parameters for the coating containing silane-modified chitin are optimum and therefore corresponds to high corrosion protection. The high negative value of adsorption energies (Eads) for the coating containing silane-modified chitin indicates the coating molecules interacted and adsorbed strongly on the steel surface. The observed results have shown that silane-modified epoxy-chitin coating would perform satisfactorily for surface protection of metal structures in saline environment.

Keywords: chitin, EIS, epoxy coating, hydrophobic, molecular dynamics simulation, quantum chemical computation

Procedia PDF Downloads 98