Search results for: Venecio U. Ultra

Authors: M. K. Bin Subhan, P. Cullen, C. Howard

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A recent study by the World Corrosion Organization estimated that corrosion related damage causes $2.5tr worth of damage every year. As such, a low cost easily scalable solution is required to the corrosion problem which is economically viable. Graphene is an ideal anti-corrosion barrier layer material due to its excellent barrier properties and chemical stability, which makes it impermeable to all molecules. However, attempts to employ graphene as a barrier layer has been hampered by the fact that defect sites in graphene accelerate corrosion due to the inert nature of graphene which promotes galvanic corrosion at the expense of the metal. The recent discovery of spontaneous dissolution of charged graphite intercalation compounds in aprotic solvents enables defect free graphene platelets to be employed for anti-corrosion applications. These ‘inks’ of defect-free charged graphene platelets in solution can be coated onto a metallic surfaces via electroplating to form a homogeneous barrier layer. In this paper, initial data showing homogeneous coatings of graphene barrier layers on steel coupons via electroplating will be presented. This easily scalable technique also provides a controllable method for applying different barrier thicknesses from ultra thin layers to thick opaque coatings making it useful for a wide range of applications.

Keywords: anti-corrosion, defect-free, electroplating, graphene

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Authors: M'Hamed Boulakroune, Mouloud Challal, Hassiba Louazene, Saida Fentiz

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This paper presents a new ultra wideband (UWB) microstrip bandpass filter (BPF) at microwave frequencies. The first one is based on multiple-mode resonator (MMR) and rectangular-shaped defected ground structure (DGS). This filter, which is compact size of 25.2 x 3.8 mm2, provides in the pass band an insertion loss of 0.57 dB and a return loss greater than 12 dB. The second structure is a tunable bandpass filters using planar patch resonators based on diode varactor. This filter is formed by a triple mode circular patch resonator with two pairs of slots, in which the varactors are connected. Indeed, this filter is initially centered at 2.4 GHz, the center frequency of the tunable patch filter could be tuned up to 1.8 GHz simultaneously with the bandwidth, reaching high tuning ranges. Lossless simulations were compared to those considering the substrate dielectric, conductor losses, and the equivalent electrical circuit model of the tuning element in order to assess their effects. Within these variations, simulation results showed insertion loss better than 2 dB and return loss better than 10 dB over the passband. The proposed filters presents good performances and the simulation results are in satisfactory agreement with the experimentation ones reported elsewhere.

Keywords: defected ground structure, diode varactor, microstrip bandpass filter, multiple-mode resonator

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Authors: Jonmichael Weaver, David Miller

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Dyneema is an ultra-high molecular weight polyethylene (UHMWPE) fiber created by DSM. This fiber has many applications due to the high tensile strength, low weight, and inability to absorb water. DSM manufactures a non-woven unidirectional cross-ply [0,90]2 lamina, using the Dyneema fiber. Using this lamina system, various thickness panels are created for a 40% lighter weight alternative to Kevlar for the same ballistics protection. Environmental effects on the ply/laminate system alter the material properties, resulting in diminished ultimate performance. Understanding the specific environmental parameters and characterizing the resulting material property degradation is essential for determining the safety and reliability of Dyneema in service. Two laminas were contrasted for their response to accelerated aging by UV, humidity, and temperature cycling. Both lamina contain the same fiber, SK-99, but differ in matrix composition, Dyneema HB-210 employs a polyurethane (PUR) based matrix, and HB-212 contains a rubber-based matrix. Each system was inspected using a scanning electron microscope (SEM) and evaluated by dynamic mechanical analysis (DMA) to characterize the material property changes alongside the corresponding composite damage and matrix failure mode over the aging parameters. Overall, resulting in the HB-212 degrading faster compared with the HB-210.

Keywords: dyneema, accelerated aging, polymers, ballistics protection, armor, DSM, kevlar, composites

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Authors: Avram Irina, Coiciu Eugenia-Mihaela, Popovici Mara-Georgiana, Mitu Iani Octavian

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ELI-NP stands as a cutting-edge facility globally, hosting unique radiological setups. It conducts experiments leveraging high-power lasers capable of producing extremely brief 10 PW pulses on two fronts. Moreover, it houses an exceptional gamma beam system with distinctive spectral characteristics. The facility hosts various experiments across designated experimental areas, encompassing ultra-short high-power laser tests, high-intensity gamma beam trials, and combined experiments utilizing both setups. The facility hosts a dosimetry laboratory, which recently obtained accreditation, where the radiation safety group employs a host of different types of detectors for monitoring the personnel, environment, and public exposure to ionizing radiation generated in experiments performed. ELI-NP's design was shaped by radiological protection assessments conducted through Monte Carlo simulations. The poster exemplifies an assessment conducted using the FLUKA code in an experimental area where a high-power laser system is implemented, and the future diagnostic system for variable energy gamma beams will soon be operational.

Keywords: radiation protection, Monte Carlo simulation, FLUKA, dosimetry

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Authors: Bashar Al-Sabti, Jehad Harbali

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Background: Pyridine is a reactive base that might be used in preparing sitagliptin. International Agency for Research on Cancer classifies pyridine in group 2B; this classification means that pyridine is possibly carcinogenic to humans. Therefore, pyridine should be monitored at the allowed limit in sitagliptin pharmaceutical ingredients. Objective: The aim of this study was to develop a novel ultra high performance liquid chromatography mass spectrometry (UHPLC-MS) method to estimate the quantity of pyridine impurity in sitagliptin pharmaceutical ingredients. Methods: The separation was performed on C8 shim-pack (150 mm X 4.6 mm, 5 µm) in reversed phase mode using a mobile phase of water-methanol-acetonitrile containing 4 mM ammonium acetate in gradient mode. Pyridine was detected by mass spectrometer using selected ionization monitoring mode at m/z = 80. The flow rate of the method was 0.75 mL/min. Results: The method showed excellent sensitivity with a quantitation limit of 1.5 ppm of pyridine relative to sitagliptin. The linearity of the method was excellent at the range of 1.5-22.5 ppm with a correlation coefficient of 0.9996. Recoveries values were between 93.59-103.55%. Conclusions: The results showed good linearity, precision, accuracy, sensitivity, selectivity, and robustness. The studied method was applied to test three batches of sitagliptin raw materials. Highlights: This method is useful for monitoring pyridine in sitagliptin during its synthesis and testing sitagliptin raw materials before using them in the production of pharmaceutical products.

Keywords: genotoxic impurity, pyridine, sitagliptin, UHPLC -MS

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Authors: Guijie Sang, Geo Davis, Momchil Terziev

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Geological CO2 storage has been regarded as a promising strategy to mitigate the emission of greenhouse gas generated from traditional power stations and energy-intensive industry. Caprocks with very low permeability and ultra-fine pores create viscous and capillary barriers to guarantee CO2 sealing efficiency. However, caprock fractures, either naturally existing or artificially induced due to injection, could provide preferential paths for CO₂ escaping. Seeking an efficient technique to seal and strengthen caprock fractures is crucial. We apply microbial-induced-calcite-precipitation (MICP) technique for sealing and strengthening caprock fractures in the laboratory scale. The MICP bio-grouting technique has several advantages over conventional cement grouting methods, including its low viscosity, micron-size microbes (accessible to fine apertures), and low carbon footprint, among others. Different injection strategies are tested to achieve relatively homogenous calcite precipitation along the fractures, which is monitored dynamically based on laser ultrasonic technique. The MICP process in caprock fractures, which integrates the coupled flow and bio-chemical precipitation, is also modeled and validated through the experiment. The study could provide an effective bio-mediated grouting strategy for caprock sealing and thus ensuring a long-term safe geological CO2 storage.

Keywords: caprock sealing, geological CO2 storage, grouting strategy, microbial induced calcite precipitation

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Authors: Wided Zerguine, Farid Habelhames

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The performance of photovoltaic devices with a light absorber consisting of a single-type conjugated polymer is poor, due to a low photo-generation yield of charge carriers, strong radiative recombination’s and low mobility of charge carriers. Recently, it has been shown that ultra-fast photoinduced charge transfer can also occur between a conjugated polymer and a metal oxide semiconductor such as SnO2, TiO2, ZnO, Nb2O5, etc. This has led to the fabrication of photovoltaic devices based on composites of oxide semiconductor nanoparticles embedded in a conjugated polymer matrix. In this work, Poly [2-methoxy-5-(20-ethylhexyloxy)-p-phenylenevinylene] (MEH-PPV), (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) and titanium dioxide (TiO2) nanoparticles (n-type) were dissolved, mixed and deposited by physical methods (spin-coating) on indium tin-oxide (ITO) substrate. The incorporation of the titanium dioxide nanoparticles changed the morphology and increased the roughness of polymers film (MEH-PPV/PCBM), and the photocurrent density of the composite (MEH-PPV/PCBM +n-TiO2) was higher than that of single MEHPPV/ PCBM film. The study showed that the presence of n-TiO2 particles in the polymeric film improves the photoelectrochemical properties of MEH-PPV/PCBM composite.

Keywords: photocurrent density, organic nanostructures, hybrid coating, conducting polymer, titanium dioxide

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Authors: Hyunchul Oh

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One of the challenges in modern separation science and technology is the separation of hydrogen isotopes mixtures since D2 and H2 consist of almost identical size, shape and thermodynamic properties. Recently, quantum sieving of isotopes by confinement in narrow space has been proposed as an alternative technique. Despite many theoretical suggestions, however, it has been difficult to discover a feasible microporous material up to now. Among various porous materials, the novel class of microporous framework materials (COFs, ZIFs and MOFs) is considered as a promising material class for isotope sieving due to ultra-high porosity and uniform pore size which can be tailored. Hence, we investigate experimentally the fundamental correlation between D2/H2 molar ratio and pore size at optimized operating conditions by using different ultramicroporous frameworks. The D2/H2 molar ratio is strongly depending on pore size, pressure and temperature. An experimentally determined optimum pore diameter for quantum sieving lies between 3.0 and 3.4 Å which can be an important guideline for designing and developing feasible microporous frameworks for isotope separation. Afterwards, we report a novel strategy for efficient hydrogen isotope separation at technologically relevant operating pressure through the development of quantum sieving exploited by the pore aperture engineering. The strategy involves installation of flexible components in the pores of the framework to tune the pore surface.

Keywords: gas adsorption, hydrogen isotope, metal organic frameworks(MOFs), quantum sieving

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Authors: Mudavath Raju, Bhaskar Gugulothu, B. Rajendra Naik

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The rapid advances in Very Large Scale Integration (VLSI) technology has resulted in the reduction of minimum feature size to sub-quarter microns and switching time in tens of picoseconds or even less. As a result, the degradation of high-speed digital circuits due to signal integrity issues such as coupling effects, clock feedthrough, crosstalk noise and delay uncertainty noise. Crosstalk noise in VLSI interconnects is a major concern and reduction in VLSI interconnect has become more important for high-speed digital circuits. It is the most effectively considered in Deep Sub Micron (DSM) and Ultra Deep Sub Micron (UDSM) technology. Increasing spacing in-between aggressor and victim line is one of the technique to reduce the crosstalk. Guard trace or shield insertion in-between aggressor and victim is also one of the prominent options for the minimization of crosstalk. In this paper, far end crosstalk noise is estimated with mutual inductance and capacitance RLC interconnect model. Also investigated the extent of crosstalk in capacitive and inductively coupled interconnects to minimizes the same through shield insertion technique.

Keywords: VLSI, interconnects, signal integrity, crosstalk, shield insertion, guard trace, deep sub micron

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Authors: Abdulsalam Turkmani, Mohammed Khaled Yezbek, Farouk Al Imadi

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Geological surveys in the southwestern part of Syria showed the presence of sedimentary-pyroclastic deposits, volcanic tuff, to the age of the Upper Pliocene and contain the following minerals according petrographical study and XRD, SEM, XRF analysis and surface properties. X-Ray diffraction results indicate the presence of analcime, phillipsite and chabazite in in all the studied localities. There are also amorphous materials and clay minerals such as illite and montmorillonite. The non-zeolite constituents include olivine, clinopyroxene orthopyroxene and spinel, and less of magnetite and feldspar. Some major oxides were determined through XRF geochemical analyses which include SiO₂, Al₂O₃, K₂O, Fe₂O₃, and CaO for volcanic tuff and zeolite. The formation of these depositions can be summarized in the following stages during the Pliocene: Volcanic activity at the edges of Al Rutba uplift and Jabal Al Arab depression was a rich by tuff bearing ultra basic and basic xenoliths plus second phase by scoria, during the early Pliocene. Volcanic calm with the activity of erosion and form lakes in which deposition of a set of wastes, including olivine resulting from the disintegration of xenoliths during the middle Pliocene. Zeolites minerals form later, which make up about 15-20% and increase and decrease in reverse relation with the olivine sand. Zeolite is formed from volcanic glass, and the results of SEM show that the zeolites minerals very well crystallized.

Keywords: minerals, origin, pyroclastic, zeolite

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Authors: Elisa Y. M. Ang, Teng Yong Ng, Jingjie Yeo, Rongming Lin, Zishun Liu, K. R. Geethalakshmi

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By stacking carbon nanotubes (CNT) one on top of another, single layer CNT arrays can perform water-salt separation with ultra-high permeability and selectivity. Such outer-wall CNT slit membrane is named as the transverse flow CNT membrane. By adjusting the slit size between neighboring CNTs, the membrane can be configured to sieve out different solutes, right down to the separation of monovalent salt ions from water. Molecular dynamics (MD) simulation results show that the permeability of transverse flow CNT membrane is more than two times that of conventional axial-flow CNT membranes, and orders of magnitude higher than current reverse osmosis membrane. In addition, by carrying out MD simulations with different CNT size, it was observed that the variance in desalination performance with CNT size is small. This insensitivity of the transverse flow CNT membrane’s performance to CNT size is a distinct advantage over axial flow CNT membrane designs. Not only does the membrane operate well under constant pressure desalination operation, but MD simulations further indicate that oscillatory operation can further enhance the membrane’s desalination performance, making it suitable for operation such as electrodialysis reversal. While there are still challenges that need to be overcome, particularly on the physical fabrication of such membrane, it is hope that this versatile membrane design can bring the idea of using low dimensional structures for desalination closer to reality.

Keywords: carbon nanotubes, membrane desalination, transverse flow carbon nanotube membrane, molecular dynamics

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Authors: Yu-Hsiu Li, Chun-Hsun Chen

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Analysis of automatic sprinkler system protects the scooter in underground parking space, the current of general buildings is mainly equipped with foam fire-extinguishing equipment in Taiwan, the automatic sprinkling system has economic and environmental benefits, even high stability, China and the United States allow the parking space to set the automatic sprinkler system under certain conditions. The literature about scooter full-scale fire indicates that the average fire growth coefficient is 0.19 KW/sec2, it represents the scooter fire is classified as ultra-fast time square fire growth model, automatic sprinkler system can suppress the flame height and prevent extending burning. According to the computer simulation (FDS) literature, no matter computer simulation or full-scale experiments, the active order and trend about sprinkler heads are the same. This study uses the computer simulation program (FDS), the simulation scenario designed includes using a different system (enclosed wet type and open type), and different configurations. The simulation result demonstrates that the open type requires less time to extinguish the fire than the enclosed wet type if the horizontal distance between the sprinkler and the scooter ignition source is short, the sprinkler can act quickly, the heat release rate of fire can be suppressed in advance.

Keywords: automatic sprinkler system, underground parking Spac, FDS, scooter fire extinguishing

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Authors: Nisha Gaur, K.Narasimhulu, Pydi Setty Yelamarthy

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Persistent organic pollutants (POPs) have become a great concern due to their toxicity, transformation and bioaccumulation property. Therefore, this review highlights the types, sources, classification health hazards and mobility of organochlorine pesticides, industrial chemicals and their by-products. Moreover, with the signing of Aarhus and Stockholm convention on POPs there is an increased demand to identify and characterise such chemicals from industries and environment which are toxic in nature or to existing biota. Due to long life, persistent nature they enter into body through food and transfer to all tropic levels of ecological unit. In addition, POPs are lipophilic in nature and accumulate in lipid-containing tissues and organs which further indicates the adverse symptoms after the threshold limit. Though, several potential enzymes are reported from various categories of microorganism and their interaction with POPs may break down the complex compounds either through biodegradation, biostimulation or bioaugmentation process, however technological advancement and human activities have also indicated to explore the possibilities for the role of genetically modified organisms and metagenomics and metabolomics. Though many studies have been done to develop low cost, effective and reliable method for detection, determination and removal of ultra-trace concentration of persistent organic pollutants (POPs) but due to insufficient knowledge and non-feasibility of technique, the safe management of POPs is still a global challenge.

Keywords: persistent organic pollutants, bioaccumulation, biostimulation, microbial remediation

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Authors: Ankur P. Sati, Manju Mohan

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The hazardous combination of smoke and pollutant gases, smog, is harmful for health. There are strong evidences that the Agricultural waste burning (AWB) in the Northern India leads to adverse air quality in Delhi and its surrounding regions. A severe smog episode was observed over Delhi, India during November 2012 which resulted in very low visibility and various respiratory problems. Very high values of pollutants (PM10 as high as 989 µg m-3, PM2.5 as high as 585 µg m-3 an NO2 as high as 540 µg m-3) were measured all over Delhi during the smog episode. Ultra Violet Aerosol Index (UVAI) from Aura satellite and Aerosol Optical Depth (AOD) are used in the present study along with the output trajectories from HYSPLIT model and the in-situ data. Satellite data also reveal that AOD, UVAI are always at its highest during the farmfires duration in Punjab region of India and the extent of these farmfires may be increasing. It is observed that during the smog episode all the AOD, UVAI, PM2.5 and PM10 values surpassed those of the Diwali period (one of the most polluted events in the city) by a considerable amount at all stations across Delhi. The parameters used from the remote sensing data and the ground based observations at various stations across Delhi are very well in agreement about the intensity of Smog episode. The analysis clearly shows that regional pollution can have greater contributions in deteriorating the air quality than the local under adverse meteorological conditions.

Keywords: smog, farmfires, AOD, remote sensing

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Authors: Xi-Wen Xiao, Tzy-Rong Lin, Chien-Hao Liu

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Ventilated acoustic metamaterials have attracted considerable research attention due to their low-frequency absorptions and efficient fluid ventilations. In this research, a wideband acoustic metamaterial with auditory filtering ability and efficient ventilation capacity were proposed. In contrast to a conventional Fano-like resonator, a Fano-like resonator composed of a resonant unit and two nonresonant units with a large opening area of 68% for fluid passages was developed. In addition, the coupling mechanism to improve the narrow bandwidths of conventional Fano-resonance-based meta-materials was included. With a suitable design, the output sound waves of the resonant and nonresonant states were out of phase to achieve sound absorptions in the far fields. Therefore, three-element and five-element coupled Fano-like metamaterials were designed and simulated with the help of the finite element software to obtain the filtering fractional bandwidths of 42.5% and 61.8%, respectively. The proposed approach can be extended to multiple coupled resonators for obtaining ultra-wide bandwidths and can be implemented with 3D printing for practical applications. The research results are expected to be beneficial for sound filtering or noise reductions in duct applications and limited-volume spaces.

Keywords: fano resonance, noise reduction, resonant coupling, sound filtering, ventilated acoustic metamaterial

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Authors: H. Higashiyama, M. Sano, F. Nakanishi, M. Sugiyama, O. Takahashi, S. Tsukuma

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The heat island phenomenon becomes one of the environmental problems. As countermeasures in the field of road engineering, cool pavements such as water retaining pavements and solar radiation reflective pavements have been developed to reduce the surface temperature of asphalt pavements in the hot summer climate in Japan. The authors have studied on the water retaining pavements with cement–based grouting materials. The cement–based grouting materials consist of cement, ceramic waste powder, and natural zeolite. The ceramic waste powder is collected through the recycling process of electric porcelain insulators. In this study, mixing ratio between the ceramic waste powder and the natural zeolite and a type of cement for the cement–based grouting materials is investigated to measure the surface temperature of asphalt pavements in the outdoor. All of the developed cement–based grouting materials were confirmed to effectively reduce the surface temperature of the asphalt pavements. Especially, the cement–based grouting material using the ultra–rapid hardening cement with the mixing ratio of 0.7:0.3 between the ceramic waste powder and the natural zeolite reduced mostly the surface temperature by 20 °C and more.

Keywords: ceramic waste powder, natural zeolite, road surface temperature, water retaining pavements

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Authors: V. Santamarina Campos, M. de Miguel Molina, S. Kröner, B. de Miguel Molina

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With this contribution, we want to show how the AiRT system could change the future way of working of a part of the creative industry and what new economic opportunities could arise for them. Remotely Piloted Aircraft Systems (RPAS), also more commonly known as drones, are now essential tools used by many different companies for their creative outdoor work. However, using this very flexible applicable tool indoor is almost impossible, since safe navigation cannot be guaranteed by the operator due to the lack of a reliable and affordable indoor positioning system which ensures a stable flight, among other issues. Here we present our first results of a European project, which consists of developing an indoor drone for professional footage especially designed for the creative industries. One of the main achievements of this project is the successful implication of the end-users in the overall design process from the very beginning. To ensure safe flight in confined spaces, our drone incorporates a positioning system based on ultra-wide band technology, an RGB-D (depth) camera for 3D environment reconstruction and the possibility to fully pre-program automatic flights. Since we also want to offer this tool for inexperienced pilots, we have always focused on user-friendly handling of the whole system throughout the entire process.

Keywords: virtual reality, 3D reconstruction, indoor positioning system, RPAS, remotely piloted aircraft systems, aerial film, intelligent navigation, advanced safety measures, creative industries

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Authors: Mei-Jen Lin, Yuan-Yuan Yu

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Low heat stability of goat milk limited the application of ultra-high temperature (UHT) sterilization on producing sterilized goat milk in order to keep excess goat milk in summer for producing goat dairy products in winter in Taiwan. Therefore, this study aimed to add stabilizers in goat milk to increase the heat stability for producing UHT sterilized goat milk preserved for making goat dairy products in winter. The amounts of 0.05-0.11% blend of sodium phosphates (Na) and blend of sodium/potassium phosphates (Sp) were added in raw goat milk at different seasons a night before autoclaved sterilization at 135°C 4 sec. The coagulation, ion calcium concentration and ethanol stability of sterilized goat milk were analyzed. Results showed that there were seasonal differences on choosing the optimal stabilizers and the addition levels. Addition of 0.05% and 0.22% of both Na and Sp salts in Spring goat milk, 0.10-0.11% of both Na and Sp salts in Summer goat milk, and 0.05%Na Sp group in Autumn goat milk were coagulated after autoclaved, respectively. There was no coagulation found with the addition of 0.08-0.09% both Na and Sp salts in goat milk; furthermore, the ionic calcium concentration were lower than 2.00 mM and ethanol stability higher than 70% in both 0.08-0.09% Na and Sp salts added goat milk. Therefore, the optimal addition level of blend of sodium phosphates and blend of sodium/potassium phosphates were 0.08-0.09% for producing sterilized goat milk at different seasons in Taiwan.

Keywords: coagulation, goat milk, phosphates, stability

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Authors: Piyush Bajpai, Sneha Pandey

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Mumbai’s Dhobighat, 150 year old largest open laundry in the world, is the true live-work place and only source of income for some of Mumbai’s highest density ‘urban poor’ residents. The regeneration of Dhobighat, due to its ultra prime location and complex socio-political culture has been a complex issue. This once flourishing urban industrial core has been degrading for the past several decades mainly due to the decline of the open laundry business, the site’s over burdened infrastructure and conflicting socio-political and economic forces. The phenomena of ‘exaptation’ or ‘co-option’ has been observed by evolutionary biologists as a process responsible for producing highly tenacious and resilient offsprings within a species. The reddish egret uses its wings to cast shadow in shallow waters to attract small fish and hunt them. An unrelated feature used opportunistically to produce a very favorable result. How can this idea of co-option be applied to resolve the complex issue of Dhobighat’s regeneration? Our paper proposes a new methodology/approach for the regeneration of Dhobighat through the lens of evolutionary biology. Forces and systems (social, political, economic, cultural and ecological) that seem conflicting or unrelated by nature are opportunistically transformed into symbiotic and complimentary relationships that produce an inclusive, resilient and holistic solution for the regeneration of Dhobighat.

Keywords: urban regeneration, exaptation, resilience, Dhobighat, Mumbai

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Authors: Ayesha Asma, Aqsa Arooj

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It is an essential need in this era of Science and Technology to investigate some unique and appropriate materials for optoelectronic applications. Here, we deliberated, for the first time, the structural, optoelectronic, mechanical, vibrational, and thermo dynamical properties of hexagonal structure selenium-based ternary chalcogenides AScSe₂ (A= K, Cs) by using Perdew-Burke-Ernzerhof Generalized-Gradient-Approximation (PBE-GGA). The lattice angles for these materials are found as α=β=90o and γ=120o. KScSe₂ optimized with lattice parameters a=b=4.3 (Å), c=7.81 (Å) whereas CsScSe₂ got relaxed at a=b=4.43 (Å) and c=8.51 (Å). However, HSE06 functional has overestimated the lattice parameters to the extent that for KScSe₂ a=b=4.92 (Å), c=7.10 (Å), and CsScSe₂ a=b=5.15 (Å), c=7.09 (Å). The energy band gap of these materials calculated via PBE-GGA and HSE06 functionals confirms their semiconducting nature. Concerning Born’s criteria, these materials are mechanically stable ones. Moreover, the temperature dependence of thermodynamic potentials and specific heat at constant volume are also determined while using the harmonic approximation. The negative values of free energy ensure their thermodynamic stability. The vibrational modes are calculated by plotting the phonon dispersion and the vibrational density of states (VDOS), where infrared (IR) and Raman spectroscopy are used to characterize the vibrational modes. The various optical parameters are examined at a smearing value of 0.5eV. These parameters unveil that these materials are good absorbers of incident light in ultra-violet (UV) regions and may be utilized in photovoltaic applications.

Keywords: structural, optimized, vibrational, ultraviolet

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Authors: Guanlin Wu, Jiajia Yao, Fang Liu, Junshuai Xue, Jincheng Zhang, Yue Hao

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Owing to the excellent thermal conductivity and ultra-wide bandgap, Aluminum nitride (AlN)/Gallium nitride (GaN) is a highly promising material to achieve high breakdown voltage and output power devices among III-nitrides. In this study, we explore the growth and characterization of polarization-induced AlN/GaN heterostructures using plasma-assisted molecular beam epitaxy (PA-MBE) on AlN-on-sapphire templates. To improve the crystal quality and demonstrate the effectiveness of the PA-MBE approach, a thick AlN buffer of 180 nm was first grown on the AlN-on sapphire template. This buffer acts as a back-barrier to enhance the breakdown characteristic and isolate leakage paths that exist in the interface between the AlN epilayer and the AlN template. A root-mean-square roughness of 0.2 nm over a scanned area of 2×2 µm2 was measured by atomic force microscopy (AFM), and the full-width at half-maximum of (002) and (102) planes on the X-ray rocking curve was 101 and 206 arcsec, respectively, using by high-resolution X-ray diffraction (HR-XRD). The electron mobility of 443 cm2/Vs with a carrier concentration of 2.50×1013 cm-2 at room temperature was achieved in the AlN/GaN heterostructures by using a polarization-induced GaN channel. The low depletion capacitance of 15 pF is resolved by the capacitance-voltage. These results indicate that the polarization-induced AlN/GaN heterostructures have great potential for next-generation high-temperature, high-frequency, and high-power electronics.

Keywords: AlN, GaN, MBE, heterostructures

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Authors: Peiyuan Guan, Tao Wan, Dewei Chu

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With the flash memory approaching its physical limit, the emerging resistive random-access memory (RRAM) has been considered as one of the most promising candidates for the next-generation non-volatile memory. One selector-one resistor configuration has shown the most promising way to resolve the crosstalk issue without affecting the scalability and high-density integration of the RRAM array. By comparison with other candidates of selectors (such as diodes and nonlinear devices), threshold switching selectors dominated by formation/spontaneous rupture of fragile conductive filaments have been proved to possess low voltages, high selectivity, and ultra-low current leakage. However, the flexibility and transparency of selectors are barely mentioned. Therefore, it is a matter of urgency to develop a selector with highly flexible and transparent properties to assist the application of RRAM for a diversity of memory devices. In this work, threshold switching selectors were designed using a facilely solution-processed fabrication on AgNWs@PDMS composite films, which show high flexibility, transparency and scratch resistance. As-fabricated threshold switching selectors also have revealed relatively high selectivity (~107), low operating voltages (Vth < 1 V) and good switching performance.

Keywords: flexible and transparent, resistive random-access memory, silver nanowires, threshold switching selector

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Authors: Rashid S. Mohammad, Shicheng Zhang, Sun Lu, Syed Jamal-Ud-Din, Xinzhe Zhao

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A compositional reservoir simulation model (CMG-GEM) was used for cyclic CO₂ injection process in unconventional tight reservoir. Cyclic CO₂ injection is an enhanced oil recovery process consisting of injection, shut-in, and production. The study of cyclic CO₂ injection and hydrocarbon recovery in ultra-low permeability reservoirs is mainly a function of rock, fluid, and operational parameters. CMG-GEM was used to study several design parameters of cyclic CO₂ injection process to distinguish the parameters with maximum effect on the oil recovery and to comprehend the behavior of cyclic CO₂ injection in tight reservoir. On the other hand, permeability reduction induced by asphaltene precipitation is one of the major issues in the oil industry due to its plugging onto the porous media which reduces the oil productivity. In addition to asphaltene deposition, solubility of CO₂ in the aquifer is one of the safest and permanent trapping techniques when considering CO₂ storage mechanisms in geological formations. However, the effects of the above uncertain parameters on the process of CO₂ enhanced oil recovery have not been understood systematically. Hence, it is absolutely necessary to study the most significant parameters which dominate the process. The main objective of this study is to improve techniques for designing cyclic CO₂ injection process while considering the effects of asphaltene deposition and solubility of CO₂ in the brine in order to prevent asphaltene precipitation, minimize CO₂ emission, optimize cyclic CO₂ injection, and maximize oil production.

Keywords: tight reservoirs, cyclic O₂ injection, asphaltene, solubility, reservoir simulation

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Authors: Mohamed K. El-Fawkhry, Ahmed Shash, Ahmed Ismail Zaki Farahat, Sherif Ali Abd El Rahman, Taha Mattar

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High-carbon, silicon-rich steels are commonly suggested to obtain very fine bainitic microstructure at low temperature ranged from 200 to 300°C. Thereby, the resulted microstructure consists of slender of bainitic-ferritic plates interwoven with retained austenite. The advanced strength and ductility package of this steel is much dependent on the fineness of bainitic ferrite, as well as the retained austenite phase. In this article, Aluminum to Silicon ratio, and the isothermal transformation temperature have been adopted to obtain ultra high strength high carbon steel. Optical and SEM investigation of the produced steels have been performed. XRD has been used to track the retained austenite development as a result of the change in the chemical composition of developed steels and heat treatment process. Mechanical properties in terms of hardness and microhardness of obtained phases and structure were investigated. It was observed that the increment of aluminum to silicon ratio has a great effect in promoting the bainitic transformation, in tandem with improving the stability and the fineness of retained austenite. Such advanced structure leads to enhancement in the whole mechanical properties of the high carbon steel.

Keywords: high-carbon steel, silicon-rich steels, fine bainitic microstructure, retained austenite, isothermal transformation

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Authors: Michal Urzynicok, Krzysztof Kwiecinski

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The development of materials used in the power generation industry for the production of boilers and their parts is characterized by high steam parameters, which present new challenges. Implementation of new combinations of alloying elements that lead to the best possible mechanical properties, including creep resistance, greatly affects new steels' weldability. All new grades have to undergo many different examinations, in regards to bending and welding, in order to enable the development of fabrication technologies, ensuring failure-free production and assembly of boiler components. 12% Cr martensitic steels like THOR™ 115 or VM-12 SHC are characterized by high oxidation resistance in high-temperature environments. At the moment, VM-12 SHC can be found in many boilers where both headers and superheater coils were produced. As this material is very difficult to obtain, a search for a proper replacement has begun. A new creep strength-enhanced ferritic steel for service in supercritical and ultra-supercritical boiler applications was developed by Tenaris in Italy and it is designated as Thor™115 (Tenaris High Oxidation Resistance). As high demand in power plants occurred to replace some parts of existing installations fabricated from VM12-SHC with other alternatives, a new development of welding procedures has begun to prepare fabricators for the challenges of joining old components with new THOR™ 115 material. This paper covers the first research of welding of dissimilar joints made out of VM12-SHC and THOR™ 115.

Keywords: thor, vm12, dissimilar welding, weldability

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Authors: Yen-An Tsai, Ching-Ling Lin, Jia-Woei Hou, Mei-Lien Chen

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Endocrine-disrupting chemicals (EDCs) adversely affect the endocrine system. Phthalates, also called phthalic acid esters (PAEs), are manmade chemicals that are used as stabilizing agents in personal care products such as perfumes, lotions, and cosmetics. The aim was to explore whether PAEs exposure was associated with central precocious puberty (CPP) or constitutional delays in growth (CDGP). This case-control study included 48 female with CPP, 37 male with constitutional delays in growth, and 127 normal children and was conducted from December 2011 to August 2014. All participants completed a structured questionnaire regarding socio-demographic characteristics, lifestyle, and secondary sexual characteristics. The analytical method was based on ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) with isotope dilution for the quantitative detection of several phthalate metabolites in human urine. The risk of CPP with mep, mnbp, LMW >50th percentile were higher than those with 50th percentile were higher than those with <50 percentile in model 2. In model 1, we only found higher CDGP risk in mep, mnbp, and ΣPAEs. It shows that high phthalate exposure may associate with CDGP. In this case-control study, we found PAEs exposure was associated with central precocious puberty (CPP) or constitutional delays in growth.

Keywords: phthalates, puberty, delays, growth

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

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

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

Procedia PDF Downloads 287

Authors: Ian Walsh, Terry Nguyen-Khuong, Christopher H. Taron, Pauline M. Rudd

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Glycoproteins and their covalently bonded glycans play critical roles in the immune system, cell communication, disease and disease prognosis. Ultra performance liquid chromatography (UPLC) coupled with mass spectrometry is conventionally used to qualitatively and quantitatively characterise glycan structures in a given sample. Exoglycosidases are enzymes that catalyze sequential removal of monosaccharides from the non-reducing end of glycans. They naturally have specificity for a particular type of sugar, its stereochemistry (α or β anomer) and its position of attachment to an adjacent sugar on the glycan. Thus, monitoring the peak movements (both in the UPLC and MS1) after application of exoglycosidases provides a unique and effective way to annotate sugars with high detail - i.e. differentiating positional and linkage isomers. Manual annotation of an exoglycosidase experiment is difficult and time consuming. As such, with increasing sample complexity and the number of exoglycosidases, the analysis could result in manually interpreting hundreds of peak movements. Recently, we have implemented pattern recognition software for automated interpretation of UPLC-MS1 exoglycosidase digestions. In this work, we explain the software, indicate how much time it will save and provide example usage showing the annotation of positional and linkage isomers in Immunoglobulin G, apolipoprotein J, and simple glycan standards.

Keywords: bioinformatics, automated glycan assignment, liquid chromatography, mass spectrometry

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Authors: Robert P. Dufresne, Hamid Arabzadeh

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The current study investigates the effectiveness of a new form of permanent baseboard insulators with an umbrella action, hereinafter referred to as Coronary Insulator, in supporting and protecting the assembly of electrodes immersed in an electrolytic cell and in increasing the lifespan of the lateral sides of the electrolytic cell, in both electro-winning and electro-refinery method. The advantages of using a coronary insulator in addition to the top capping board (equipotential insulator) were studied compared to the conventional assembly of an electrolytic cell. Then, a thermal imaging technique was utilized during high-temperature thermal (heat transfer) tests for sample cell walls with and without coronary insulators in their assembly to show the effectiveness of coronary insulators in protecting the cell wall under extreme conditions. It was shown that, unlike the conventional assembly, which is highly prone to damages to the cell wall under thermal shocks, the presence of coronary insulator can significantly increase the level of protection of the cell due to their ultra-high thermal and chemical resistance, as well as decreasing the replacement frequency of insulators to almost zero. Besides, the results of the study showed that the test assembly with the coronary insulator provides better consistency in positioning and, subsequently, better contact, compared to the conventional method, which reduces the chance of electric short-circuit in the system.

Keywords: capping board, coronary insulator, electrolytic cell, thermal shock.

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Authors: A. Asgharzadeh, M. Maroufi

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5G mobile communication system has drawn more and more attention. The 5G system needs to provide three different types of services, including enhanced Mobile BroadBand (eMBB), massive machine-type communication (mMTC), and ultra-reliable and low-latency communication (URLLC). Universal Filtered Multi-Carrier (UFMC), Filter Bank Multicarrier (FBMC), and Filtered Orthogonal Frequency Division Multiplexing (f-OFDM) are suggested as a well-known candidate waveform for the coming 5G system. Themachine-to-machine (M2M) communications are one of the essential applications in 5G, and it involves exchanging of concise messages with a very short latency. However, in UFMC systems, the subcarriers are grouped into subbands but f-OFDM only one subband covers the entire band. Furthermore, in FBMC, a subband includes only one subcarrier, and the number of subbands is the same as the number of subcarriers. This paper mainly discusses the performance of UFMC with different parameters for the UFMC system. Also, paper shows that UFMC is the best choice outperforming OFDM in any case and FBMC in case of very short packets while performing similarly for long sequences with channel estimation techniques for Interleave Division Multiple Access (IDMA) systems.

Keywords: universal filtered multi-carrier technique, UFMC, interleave division multiple access, IDMA, fifth-generation, subband

Procedia PDF Downloads 134