Search results for: thermal conductance

Authors: Adedapo Jepson Olumide, Kurowska Ewa, K. Schoeneich, Ikpokonte A. Enoch

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In this paper, subsurface temperature measured from continuous temperature logs were used to determine the geothermal gradient of NigerDelta sedimentary basin. The measured temperatures were corrected to the true subsurface temperatures by applying the American Association of Petroleum Resources (AAPG) correction factor, borehole temperature correction factor with La Max’s correction factor and Zeta Utilities borehole correction factor. Geothermal gradient in this basin ranges from 1.20C to 7.560C/100m. Six geothermal anomalies centres were observed at depth in the southern parts of the Abakaliki anticlinorium around Onitsha, Ihiala, Umuaha area and named A1 to A6 while two more centre appeared at depth of 3500m and 4000m named A7 and A8 respectively. Anomaly A1 describes the southern end of the Abakaliki anticlinorium and extends southwards, anomaly A2 to A5 were found associated with a NW-SE structural alignment of the Calabar hinge line with structures describing the edge of the Niger Delta basin with the basement block of the Oban massif. Anomaly A6 locates in the south-eastern part of the basin offshore while A7 and A8 are located in the south western part of the basin offshore. At the average exploratory depth of 3500m, the geothermal gradient values for these anomalies A1, A2, A3, A4, A5, A6, A7, and A8 are 6.50C/100m, 1.750C/100m, 7.50C/100m, 1.250C/100m, 6.50C/100m, 5.50C/100m, 60C/100m, and 2.250C/100m respectively. Anomaly A8 area may yield higher thermal value at greater depth than 3500m. These results show that anomalies areas of A1, A3, A5, A6 and A7 are potentially prospective and explorable for geothermal energy using abandoned oil wells in the study area. Anomalies A1, A3.A5, A6 occur at areas where drilled boreholes were not exploitable for oil and gas but for the remaining areas where wells are so exploitable there appears no geothermal anomaly. Geothermal energy is environmentally friendly, clean and reversible.

Keywords: temperature logs, geothermal gradient anomalies, alternative energy, Niger delta basin

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Authors: Sidra Pervez, Afsheen Aman, Shah Ali Ul Qader

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The importance of attaining an optimum performance of an enzyme is often a question of devising an effective method for its immobilization. Cross-linked enzyme aggregate (CLEAs) is a new approach for immobilization of enzymes using carrier free strategy. This method is exquisitely simple (involving precipitation of the enzyme from aqueous buffer followed by cross-linking of the resulting physical aggregates of enzyme molecules) and amenable to rapid optimization. Among many industrial enzymes, amyloglucosidase is an important amylolytic enzyme that hydrolyzes alpha (1→4) and alpha (1→6) glycosidic bonds in starch molecule and produce glucose as a sole end product. Glucose liberated by amyloglucosidase can be used for the production of ethanol and glucose syrups. Besides this amyloglucosidase can be widely used in various food and pharmaceuticals industries. For production of amyloglucosidase on commercial scale, filamentous fungi of genera Aspergillus are mostly used because they secrete large amount of enzymes extracellularly. The current investigation was based on isolation and identification of filamentous fungi from genus Aspergillus for the production of amyloglucosidase in submerged fermentation and optimization of cultivation parameters for starch saccharification. Natural isolates were identified as Aspergillus niger KIBGE-IB36, Aspergillus fumigatus KIBGE-IB33, Aspergillus flavus KIBGE-IB34 and Aspergillus terreus KIBGE-IB35 on taxonomical basis and 18S rDNA analysis and their sequence were submitted to GenBank. Among them, Aspergillus fumigatus KIBGE-IB33 was selected on the basis of maximum enzyme production. After optimization of fermentation conditions enzyme was immobilized on CLEA. Different parameters were optimized for maximum immobilization of amyloglucosidase. Data of enzyme stability (thermal and Storage) and reusability suggested the applicability of immobilized amyloglucosidase for continuous saccharification of starch in industrial processes.

Keywords: aspergillus, immobilization, industrial processes, starch saccharification

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Authors: Daniele Calvi, Loris Franchi, Sabrina Corpino

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Thanks to the latest Mars mission, the planetary exploration has made enormous strides over the past ten years increasing the interest of the scientific community and beyond. These missions aim to fulfill many complex operations which are of paramount importance to mission success. Among these, a special mention goes to the Entry, Descent and Landing (EDL) functions which require a dedicated system to overcome all the obstacles of these critical phases. The general objective of the system is to safely bring the spacecraft from orbital conditions to rest on the planet surface, following the designed mission profile. For this reason, this work aims to develop a simulation tool integrating the re-entry trajectory algorithm in order to support the EDL design during the preliminary phase of the mission. This tool was used on a reference unmanned mission, whose objective is finding bio-evidence and bio-hazards on Martian (sub)surface in order to support the future manned mission. Regarding the concept of operations (CONOPS) of the mission, it concerns the use of Space Penetrator Systems (SPS) that will descend on Mars surface following a ballistic fall and will penetrate the ground after the impact with the surface (around 50 and 300 cm of depth). Each SPS shall contain all the instrumentation required to sample and make the required analyses. Respecting the low-cost and low-mass requirements, as result of the tool, an Entry Descent and Impact (EDI) system based on inflatable structure has been designed. Hence, a solution could be the one chosen by Finnish Meteorological Institute in the Mars Met-Net mission, using an inflatable Thermal Protection System (TPS) called Inflatable Braking Unit (IBU) and an additional inflatable decelerator. Consequently, there are three configurations during the EDI: at altitude of 125 km the IBU is inflated at speed 5.5 km/s; at altitude of 16 km the IBU is jettisoned and an Additional Inflatable Braking Unit (AIBU) is inflated; Lastly at about 13 km, the SPS is ejected from AIBU and it impacts on the Martian surface. Since all parameters are evaluated, it is possible to confirm that the chosen EDI system and strategy verify the requirements of the mission.

Keywords: EDL, Mars, mission, SPS, TPS

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Authors: D. Ramajo, S. Corzo, M. Nigro

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A Multi-dimensional computational fluid dynamics (CFD) two-phase model was developed with the aim to simulate the in-core coolant circuit of a pressurized heavy water reactor (PHWR) of a commercial nuclear power plant (NPP). Due to the fact that this PHWR is a Reactor Pressure Vessel type (RPV), three-dimensional (3D) detailed modelling of the large reservoirs of the RPV (the upper and lower plenums and the downcomer) were coupled with an in-house finite volume one-dimensional (1D) code in order to model the 451 coolant channels housing the nuclear fuel. Regarding the 1D code, suitable empirical correlations for taking into account the in-channel distributed (friction losses) and concentrated (spacer grids, inlet and outlet throttles) pressure losses were used. A local power distribution at each one of the coolant channels was also taken into account. The heat transfer between the coolant and the surrounding moderator was accurately calculated using a two-dimensional theoretical model. The implementation of subcooled boiling and condensation models in the 1D code along with the use of functions for representing the thermal and dynamic properties of the coolant and moderator (heavy water) allow to have estimations of the in-core steam generation under nominal flow conditions for a generic fission power distribution. The in-core mass flow distribution results for steady state nominal conditions are in agreement with the expected from design, thus getting a first assessment of the coupled 1/3D model. Results for nominal condition were compared with those obtained with a previous 1/3D single-phase model getting more realistic temperature patterns, also allowing visualize low values of void fraction inside the upper plenum. It must be mentioned that the current results were obtained by imposing prescribed fission power functions from literature. Therefore, results are showed with the aim of point out the potentiality of the developed model.

Keywords: PHWR, CFD, thermo-hydraulic, two-phase flow

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Authors: Mohammad W. Dewan, Jahangir Alam, Khurshida Sharmin

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Synthetic fibers (carbon, glass, aramid, etc.) are generally utilized to make composite materials for better mechanical and thermal properties. However, they are expensive and non-biodegradable. In the perspective of Bangladesh, jute fibers are available, inexpensive, and comprising good mechanical properties. The improved properties (i.e., low cost, low density, eco-friendly) of natural fibers have made them a promising reinforcement in hybrid composites without sacrificing mechanical properties. In this study, jute and e-glass fiber reinforced hybrid composite materials are fabricated utilizing hand lay-up followed by a compression molding technique. Room temperature cured two-part epoxy resin is used as a matrix. Approximate 6-7 mm thick composite panels are fabricated utilizing 17 layers of woven glass and jute fibers with different fiber layering sequences- only jute, only glass, glass, and jute alternatively (g/j/g/j---) and 4 glass - 9 jute – 4 glass (4g-9j-4g). The fabricated composite panels are analyzed through fiber volume calculation, tensile test, bending test, and water absorption test. The hybridization of jute and glass fiber results in better tensile, bending, and water absorption properties than only jute fiber-reinforced composites, but inferior properties as compared to only glass fiber reinforced composites. Among different fiber layering sequences, 4g-9j-4g fibers layering sequence resulted in better tensile, bending, and water absorption properties. The effect of chemical treatment on the woven jute fiber and chopped glass microfiber infusion are also investigated in this study. Chemically treated jute fiber and 2 wt. % chopped glass microfiber infused hybrid composite shows about 12% improvements in flexural strength as compared to untreated and no micro-fiber infused hybrid composite panel. However, fiber chemical treatment and micro-filler do not have a significant effect on tensile strength.

Keywords: compression molding, chemical treatment, hybrid composites, mechanical properties

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Authors: Daniel F. Sava, Anton Ficai, Bogdan S. Vasile, Georgeta Voicu, Ecaterina Andronescu

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The energy crisis and environmental contamination are very serious problems, therefore searching for better and sustainable renewable energy is a must. It is predicted that the global energy demand will double until 2050. Solar water splitting and photocatalysis are considered as one of the solutions to these issues. The use of oxide semiconductors for solar water splitting and photocatalysis started in 1972 with the experiments of Fujishima and Honda on TiO2 electrodes. Since then, the evolution of nanoscience and characterization methods leads to a better control of size, shape and properties of materials. Although the past decade advancements are astonishing, for these applications the properties have to be controlled at a much finer level, allowing the control of charge-carrier lives, energy level positions, charge trapping centers, etc. Graphene has attracted a lot of attention, since its discovery in 2004, due to the excellent electrical, optical, mechanical and thermal properties that it possesses. These properties make it an ideal support for photocatalysts, thus graphene composites with oxide semiconductors are of great interest. We present in this work the synthesis and characterization of graphene-related materials and oxide semiconductors and their different composites. These materials can be used in constructing devices for different applications (batteries, water splitting devices, solar cells, etc), thus showing their application flexibility. The synthesized materials are different morphologies and sizes of TiO2, ZnO and Fe2O3 that are obtained through hydrothermal, sol-gel methods and graphene oxide which is synthesized through a modified Hummer method and reduced with different agents. Graphene oxide and the reduced form could also be used as a single material for transparent conductive films. The obtained single materials and composites were characterized through several methods: XRD, SEM, TEM, IR spectroscopy, RAMAN, XPS and BET adsorption/desorption isotherms. From the results, we see the variation of the properties with the variation of synthesis parameters, size and morphology of the particles.

Keywords: composites, graphene, hydrothermal, renewable energy

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Authors: Ritu Karwasra, Surender Singh

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Inflammation is an important physiological response of the body’s self-defense system that helps in eliminating and protecting organism from harmful stimuli and in tissue repair. It is a highly regulated protective response which helps in eliminating the initial cause of cell injury, and initiates the process of repair. The present study was designed to evaluate the ameliorative effect of pomegranate rind extract on pain and inflammation. Hydroalcoholic standardized rind extract of pomegranate at doses 50, 100 and 200 mg/kg and indomethacin (3 mg/kg) was tested against eddy’s hot plate induced thermal algesia, carrageenan (acute inflammation) and Complete Freund’s Adjuvant (chronic inflammation) induced models in Wistar rats. Parameters analyzed were inhibition of paw edema, measurement of joint diameter, levels of GSH, TBARS, SOD, TNF-α, radiographic imaging, tissue histology and synovial expression of pro-inflammatory cytokine receptor (TNF-R1). Radiological and light microscopical analysis were carried out to find out the bone damage in CFA-induced chronic inflammatory model. Findings of the present study revealed that pomegranate rind extract at a dose of 200 mg/kg caused a significant (p<0.05) reduction in paw swelling in both the inflammatory models. Nociceptive threshold was also significantly (p<0.05) improved. Immunohistochemical analysis of TNF-R1 in CFA-induced group showed elevated level, whereas reduction in level of TNF-R1 was observed in pomegranate (200 mg/kg). Henceforth, we might say that pomegranate produced a dose-dependent reduction in inflammation and pain along with the reduction in levels of oxidative stress markers and tissue histology, and the effect was found to be comparable to that of indomethacin. Thus, it can be concluded that pomegranate is a potential therapeutic target in the pathogenesis of inflammation and pain, and punicalagin is the major constituents found in rind extract might be responsible for the activity.

Keywords: carrageenan, inflammation, nociceptive-threshold, pomegranate, histopathology

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Authors: Jeet Shende, Leonid Shpanin, Misko Abramiuk, Mattew Goodwin, Nicholas Pickett

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Energy harvesting on board the Unmanned Ariel Vehicle (UAV) is one of the most rapidly growing emerging technologies and consists of the collection of small amounts of energy, for different applications, from unconventional sources that are incidental to the operation of the parent system or device. Different energy harvesting techniques have already been investigated in the multirotor drones, where the energy collected comes from the systems surrounding ambient environment and typically involves the conversion of solar, kinetic, or thermal energies into electrical energy. The energy harvesting from the vibrated propeller using the piezoelectric components inside the propeller has also been proven to be feasible. However, the impact on the UAV flight performance using this technology has not been investigated. In this contribution the impact on the multirotor drone operation has been investigated at different flight control configurations which support the efficient performance of the propeller vibration energy harvesting. The industrially made MANTIS X8-PRO octocopter frame kit was used to explore the octocopter operation which was modelled using SolidWorks 3D CAD package for simulation studies. The octocopter flight control strategy is developed through integration of the SolidWorks 3D CAD software and MATLAB/Simulink simulation environment for evaluation of the octocopter behaviour under different simulated flight modes and octocopter geometries. Analysis of the two modelled octocopter geometries and their flight performance is presented via graphical representation of simulated parameters. The possibility of not using the landing gear in octocopter geometry is demonstrated. The conducted study evaluates the octocopter’s flight control technique and its impact on the energy harvesting mechanism developed on board the octocopter. Finite Element Analysis (FEA) simulation results of the modelled octocopter in operation are presented exploring the performance of the octocopter flight control and structural configurations. Applications of both octocopter structures and their flight control strategy are discussed.

Keywords: energy harvesting, flight control modelling, object modeling, unmanned aerial vehicle

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Authors: Fares A. Mayia, Mahmoud A. Yamany, Mushabbab A. Asiri

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In recent years, non-invasive Focused Ultrasound (FU) has been utilized for generating bubbles (cavities) to ablate target tissue by mechanical fractionation. Intensities >10 kW/cm² are required to generate the inertial cavities. The generation, rapid growth, and collapse of these inertial cavities cause tissue fractionation and the process is called Histotripsy. The ability to fractionate tissue from outside the body has many clinical applications including the destruction of the tumor mass. The process of tissue fractionation leaves a void at the treated site, where all the affected tissue is liquefied to particles at sub-micron size. The liquefied tissue will eventually be absorbed by the body. Histotripsy is a promising non-invasive treatment modality. This paper presents a technique for generating inertial cavities at lower intensities (< 1 kW/cm²). The technique (patent pending) is based on amplitude modulation (AM), whereby a low frequency signal modulates the amplitude of a higher frequency FU wave. Cavitation threshold is lower at low frequencies; the intensity required to generate cavitation in water at 10 kHz is two orders of magnitude lower than the intensity at 1 MHz. The Amplitude Modulation technique can operate in both continuous wave (CW) and pulse wave (PW) modes, and the percentage modulation (modulation index) can be varied from 0 % (thermal effect) to 100 % (cavitation effect), thus allowing a range of ablating effects from Hyperthermia to Histotripsy. Furthermore, changing the frequency of the modulating signal allows controlling the size of the generated cavities. Results from in vitro work demonstrate the efficacy of the new technique in fractionating soft tissue and solid calcium carbonate (Chalk) material. The technique, when combined with MR or Ultrasound imaging, will present a precise treatment modality for ablating diseased tissue without affecting the surrounding healthy tissue.

Keywords: focused ultrasound therapy, histotripsy, inertial cavitation, mechanical tissue ablation

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Authors: Amessalu Atenafu Gelaw, Nele Rath

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Currently, laser hardening process is becoming among the most efficient and effective hardening technique due to its significant advantages. The source where heat is generated, the absence of cooling media, self-quenching property, less distortion nature due to localized heat input, environmental friendly behavior and less time to finish the operation are among the main benefits to adopt this technology. This day, a variety of injection machines are used in plastic, textile, electrical and mechanical industries. Due to the fast growing of composite technology, fiber reinforced polymer matrix becoming optional solution to use in these industries. Due, to the abrasion nature of fiber reinforced polymer matrix composite on the injection components, many parts are outdated before the design period. Niko, a company specialized in injection molded products, suffers from the short lifetime of the injection nozzles of the molds, due to the use of fiber reinforced and, therefore, more abrasive polymer matrix. To prolong the lifetime of these molds, hardening the susceptible component like the injecting nozzles was a must. In this paper, the laser hardening process is investigated on Unimax, a type of stainless steel. The investigation to get optimal results for the nozzle-case was performed in three steps. First, the optimal parameters for maximum possible hardenability for the investigated nozzle material is investigated on a flat sample, using experimental testing as well as thermal simulation. Next, the effect of an inclination on the maximum temperature is analyzed both by experimental testing and validation through simulation. Finally, the data combined and applied for the nozzle. This paper describes possible strategies and methods for laser hardening of the nozzle to reach hardness of at least 720 HV for the material investigated. It has been proven, that the nozzle can be laser hardened to over 900 HV with the option of even higher results when more precise positioning of the laser can be assured.

Keywords: absorptivity, fiber reinforced matrix, laser hardening, Nd:YAG laser

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Authors: Milenko Košutić, Jelena Filipović, Zvonko Nježić

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Extrusion technology is thermal processing that is applied to improve the nutritional, hygienic, and physical-chemical characteristics of the raw material. Overall, the extrusion process is an efficient method for the production of a wide range of food products. It combines heat, pressure, and shear to transform raw materials into finished goods with desired textures, shapes, and nutritional profiles. The extruded products’ quality is remarkably dependent upon feed material composition, barrel temperature profile, feed moisture content, screw speed, and other extrusion system parameters. Given consumer expectations for snack foods, a high expansion index and low bulk density, in addition to crunchy texture and uniform microstructure, are desired. This paper investigates the effects of simultaneous different types of corn (white corn, yellow corn, red corn, and black corn) addition and different screw speed (350, 500, 650 rpm) on the physical, technological, and functional properties of flakes products. Black corn flour and screw speed at 350 rpm positively influenced physical, technological characteristics, mineral composition, and antioxidant properties of flake products with the best total score analysis of 0,59. Overall, the combination of Tukey's HSD test and PCA enables a comprehensive analysis of the observed corn products, allowing researchers to identify them. This research aims to analyze the influence of different types of corn flour (white corn, yellow corn, red corn, and black corn) on the nutritive and sensory properties of the product (quality, texture, and color), as well as the acceptance of the new product by consumers on the territory of Novi Sad. The presented data point that investigated corn flakes from black corn flour at 350 rpm is a product with good physical-technological and functional properties due to a higher level of antioxidant activity.

Keywords: corn types, flakes product, nutritive quality, acceptability

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Authors: Vito Telesca, Giuseppina A. Giorgio

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The earth system is subject to a wide range of human activities that have changed the ecosystem more rapidly and extensively in the last five decades. These global changes have a large impact on human health. The relationship between extreme weather events and mortality are widely documented in different studies. In particular, a number of studies have investigated the relationship between climatological variations and the cardiovascular and respiratory system. The researchers have become interested in the evaluation of the effect of environmental variations on the occurrence of different diseases (such as infarction, ischemic heart disease, asthma, respiratory problems, etc.) and mortality. Among changes in weather conditions, the heat waves have been used for investigating the association between weather conditions and cardiovascular events and cerebrovascular, using thermal indices, which combine air temperature, relative humidity, and wind speed. The effects of heat waves on human health are mainly found in the urban areas and they are aggravated by the presence of atmospheric pollution. The consequences of these changes for human health are of growing concern. In particular, meteorological conditions are one of the environmental aspects because cardiovascular diseases are more common among the elderly population, and such people are more sensitive to weather changes. In addition, heat waves, or extreme heat events, are predicted to increase in frequency, intensity, and duration with climate change. In this context, are very important public health and climate change connections increasingly being recognized by the medical research, because these might help in informing the public at large. Policy experts claim that a growing awareness of the relationships of public health and climate change could be a key in breaking through political logjams impeding action on mitigation and adaptation. The aims of this study are to investigate about the importance of interactions between weather variables and your effects on human health, focusing on Italy. Also highlighting the need to define strategies and practical actions of monitoring, adaptation and mitigation of the phenomenon.

Keywords: climate change, illness, Italy, temperature, weather

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Authors: Jose Melena, Rosa Santander, Tanya Gonzalez, Richard Duque, Juan Illanes

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Ecuador is one of the countries with the greatest aquatic biodiversity worldwide. In particular, there are at least a dozen native marine species with great aquaculture potential locally. This research concerns one of those species. It has proposed to implement experimental protocols in order to induce spawning and to generate the early larval development of the penshell Atrina maura under controlled conditions. Bioassays were carried out with one adult batch (n= 26) with an average valvar length of 307,6 ± 9,4 mm, which were collected in the Puerto El Morro Mangrove (2° 42' 33'' S, 80° 14' 28'' W), Guayas Province. During a short acclimation stage, five adults of penshell A. maura were sacrificed in order to determine their sexual maturity degree and to estimate their sex ratio. Dissection showed that three were ripe females (60%) and two were ripe males (40%). Later, three groups (n= 7 by each) were tested with two treatments in order to induce the broodstock spawning: thermal stress, osmotic shock, and one control. Spawning induction was achieved by the immersion in water to 0 g L⁻¹ per 1 h and immersion in sea water to 34 g L⁻¹ per 1 h. After the delivery of gametes, it was achieved 1,35 × 10⁶ viable zygotes. As results, fertilized eggs had 60 µm diameter; while first and second cell divisions were observed to 1 h post-fertilization, with individual average length of 65 ± 4 µm and polar body. Latter cell divisions, including gastrula stage, appeared at 9 h post-fertilization, with individual average length of 71 ± 4 µm; and trochophore stage at 16 h post-fertilization with individual average length of 75 ± 5 µm. In addition, veliger stage was registered at 20 h post-fertilization with individual average length of 81 ± 5 µm. Umboned larvae appeared at day 8 post-fertilization, with individual average length of 145 ± 6 µm. These pioneering results in Ecuador can strengthen the local conservation process of the overexploited A. maura and to encourage its production for commercial purposes.

Keywords: Atrina maura, Ecuador, larval development, spawning induction

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Authors: Pravin Kumar, Rajendra K. Singh, Prabhakar Singh

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A widespread research work on Mo-based double perovskite systems has been reported as a potential application for electrode materials of solid oxide fuel cells. Mo-based double perovskites studied in form of B-site ordered double perovskite materials, with general formula A₂B′B″O₆ structured by alkaline earth element (A = Sr, Ca, Ba) and heterovalent transition metals (B′ = Fe, Co, Ni, Cr, etc. and B″ = Mo, W, etc.), are raising a significant interest as potential mixed ionic-electronic conductors in the temperature range of 500-800 °C. Such systems reveal higher electrical conductivity, particularly those assigned in form of Sr₂CoMoO₆₋δ (M = Mg, Mn, Fe, Co, Ni, Zn etc.) which were studied in different environments (air/H₂/H₂-Ar/CH₄) at an intermediate temperature. Among them, the Sr₂CoMoO₆₋δ system is a potential candidate as an anode material for solid oxide fuel cells (SOFCs) due to its better electrical conductivity. Therefore, Sr₂CoMoO₆₋δ (SCM) system with La-doped on Sr site has been studied to discover the structural and electrical properties. The double perovskite system Sr₂CoMoO₆₋δ (SCM) and doped system Sr₂-ₓLaₓCoMoO₆₋δ (SLCM, x=0.04) were synthesized by the citrate-nitrate combustion synthesis route. Thermal studies were carried out by thermo-gravimetric analysis. Phase justification was confirmed by powder X-ray diffraction (XRD) as a tetragonal structure with space group I4/m. A minor phase of SrMoO₄ (s.g. I41/a) was identified as a secondary phase using JCPDS card no. 85-0586. Micro-structural investigations revealed the formation of uniform grains. The average grain size of undoped (SCM) and doped (SLCM) compositions was calculated by a linear intercept method and found to be ⁓3.8 μm and 2.7 μm, respectively. The electrical conductivity of SLCM is found higher than SCM in the air within the temperature range of 200-600 °C. SLCM system was also measured in reducing atmosphere (pure H₂) in the temperature range 300-600 °C. SLCM has been showed the higher conductivity in the reducing atmosphere (H₂) than in air and therefore it could be a promising anode material for SOFCs.

Keywords: double perovskite, electrical conductivity, SEM, XRD

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Authors: Vidia A. Nuraini, Eugene M. H. Yee, Mohan Bhadbhade, David StC. Black, Naresh Kumar

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Flavonoids are naturally occurring compounds that have been shown to exhibit a wide range of biological properties including anticancer and anti-inflammatory activities. However, flavonoids suffer from low bioavailability, which limits their overall utility for therapeutic applications. One of the methods to overcome this limitation is through structural modification of natural flavonoids. In this study, flavanone, isoflavanone, and isoflavene, were structurally modified through the introduction of additional fused-ring systems via ortho-quinone methide intermediates (o-QMs). These intermediates can readily undergo a [4+2] cycloaddition through an inverse-electron-demand Diels–Alder reaction with electron-rich dienophiles. A regioselective Mannich reaction using bis-(N,N-dimethylamino)methane was employed to generate the o-QM precursors of flavanone, isoflavanone, and isoflavene. The o-QM intermediates were subsequently generated in situ through thermal elimination of the dimethylamine functionality and reacted with a variety of dienophiles to produce novel flavonoids with fused-ring systems. A total of 21 novel flavonoid analogs were successfully synthesized. The X-ray crystal structure of cycloaddition adducts, particularly those derived from 3,4-dihydro-2H-pyran and p-methoxystyrene revealed a special case of enantiomeric disorder, where two enantiomers in equal amounts superpose with one another, with the exception for atoms that have opposite configuration. The anticancer properties of fused-ring systems derived from isoflavene were evaluated against the neuroblastoma SKN-BE(2)C, the triple negative breast cancer MDA-MB-231, and the glioblastoma U87 cancer cell lines. One of these cycloaddition adducts had displayed improved anti-proliferative activity against MDA-MB-231 and U87 cancer cell lines as compared to the parent compound. Further anticancer and anti-inflammatory activities of the flavanone and isoflavanone analogs are currently being investigated.

Keywords: Diels-Alder reaction, flavonoids, Mannich reaction, ortho-quinone methide.

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Authors: Razia Sultana

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The chapter investigates the roles of local Non-Governmental Organisations (NGOs) and Community Based Organisations (CBOs) in climate change adaptation through grassroots innovation in urban slums in Dhaka, Bangladesh. The section highlights green infrastructure as an innovative process to mitigate the challenges emanating from climate change at the bottom of the pyramid. The research draws on semi-structured in-depth interviews with 11 NGOs and 2 CBOs working in various slums in Dhaka. The study explores the activities of local agencies relating to urban green infrastructure (UGI) and its possible mitigation of a range of climate change impacts: thermal discomfort, heat stress, flooding and the urban heat island. The main argument of the chapter is unlike the Global North stakeholders’ activities relating to UGI in cities of the Global South have not been expanded on a large scale. Moreover, UGI as a risk management strategy is underutilised in the developing countries. The study finds that, in the context of Bangladesh, climate change adaptation through green infrastructure in cities is still nascent for local NGOs and CBOs. Mostly their activities are limited to addressing the basic needs of slum communities such as water and sanitation. Hence urban slum dwellers have been one of the most vulnerable groups in that they are deprived of the city’s basic ecological services. NGOs are utilizing UGI in an innovative way despite various problems in slums. For instance, land scarcity and land insecurity in slums are two key areas where UGI faces resistance. There are limited instances of NGOs using local and indigenous techniques to encourage slum dwellers to adopt UGI for creating sustainable environments. It is in this context that the paper is an attempt to showcase some of the grassroots innovation that NGOs are currently adopting in slums. Also, some challenges and opportunities are discussed to address UGI as a strategy for climate change adaptation in slums.

Keywords: climate change adaptation, green infrastructure, Dhaka, slums, NGOs

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Authors: Almira Daulbayeva, Zhaukhar Yessenkulova, Rassima Salimbayeva

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In this article, the regularities of the modern spatial and temporal distribution of main pollutants in the air space of single-industry towns are considered, and the level of pollutant emissions into the atmospheric air by urban areas of the Karaganda region is determined. We selected such cities as Temirtau, Abay, Saran, and Balkhash. Ecological and hygienic assessment of atmospheric air pollution in these cities for 2020 - 2023 and the beginning of 2024 was carried out on the materials of annual Information Bulletins on the state of the environment of the Republic of Kazakhstan, bulletins ‘On the state of atmospheric air in Karaganda region’. The general assessment of atmospheric air pollution in the territory was high, especially in 2020 and 2021, and corresponded to the level of ‘tense’. According to the results of the analysis of atmospheric air pollution, it was revealed that enterprises of thermal power engineering and mining industry (mines, enrichment plants, metallurgical production of ‘ArcelorMittal’ JSC) carry out emission of significant amounts of pollutants, particulate matter, and heavy metals into the atmosphere. The total number of ingredients present in the atmosphere of the city exceeds dozens, many of which belong to the first and second categories of hazard. The main pollutants were sulphur dioxide, carbon oxides, and nitrogen dioxide, as well as suspended solids. We have also considered and studied some types of major diseases of the population living in the region in different conditions in recent years. According to the results of the study, the cities with the highest rates and levels of morbidity were identified: Temirtau, Shakhtinsk, Abay, located in Karaganda region, where the main industrial facilities are concentrated, emitting harmful pollutants from ‘Corporation Kazakhmys’ LLP, ‘Arcelor Mittal’ JSC, Balkhash Mining and Metallurgical Combine.

Keywords: atmospheric air, pollutants, single-industry towns, Karaganda region, morbidity, sustainable development

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Authors: Morten Brøgger, Kim Wittchen

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Focus on reducing energy consumption in existing buildings at large scale, e.g. in cities or countries, has been increasing in recent years. In order to reduce energy consumption in existing buildings, political incentive schemes are put in place and large scale investments are made by utility companies. Prioritising these investments requires a comprehensive overview of the energy consumption in the existing building stock, as well as potential energy-savings. However, a building stock comprises thousands of buildings with different characteristics making it difficult to model energy consumption accurately. Moreover, the complexity of the building stock makes it difficult to convey model results to policymakers and other stakeholders. In order to manage the complexity of the building stock, building archetypes are often employed in building stock energy models (BSEMs). Building archetypes are formed by segmenting the building stock according to specific characteristics. Segmenting the building stock according to building type and building age is common, among other things because this information is often easily available. This segmentation makes it easy to convey results to non-experts. However, using a single archetypical building to represent all buildings in a segment of the building stock is associated with loss of detail. Thermal characteristics are aggregated while other characteristics, which could affect the energy efficiency of a building, are disregarded. Thus, using a simplified representation of the building stock could come at the expense of the accuracy of the model. The present study evaluates the accuracy of a conventional archetype-based BSEM that segments the building stock according to building type- and age. The accuracy is evaluated in terms of the archetypes’ ability to accurately emulate the average energy demands of the corresponding buildings they were meant to represent. This is done for the buildings’ energy demands as a whole as well as for relevant sub-demands. Both are evaluated in relation to the type- and the age of the building. This should provide researchers, who use archetypes in BSEMs, with an indication of the expected accuracy of the conventional archetype model, as well as the accuracy lost in specific parts of the calculation, due to use of the archetype method.

Keywords: building stock energy modelling, energy-savings, archetype

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Authors: Ankita Tiwari, Jyoti Saini, Subhasis Ghosh

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For many years, researchers have been fascinated by the subject of how properties evolve as dimensionality is lowered. Early on, it was shown that the presence of a significant magnetic anisotropy might compensate for the lack of long-range (LR) magnetic order in a low-dimensional system (d < 3) with continuous symmetry, as proposed by Hohenberg-Mermin and Wagner (HMW). Strong magnetic anisotropy allows an LR magnetic order to stabilize in two dimensions (2D) even in the presence of stronger thermal fluctuations which is responsible for the absence of Heisenberg ferromagnetism in 2D. Van der Waals (vdW) ferromagnets, including CrI₃, CrTe₂, Cr₂X₂Te₆ (X = Si and Ge) and Fe₃GeTe₂, offer a nearly ideal platform for studying ferromagnetism in 2D. Fe₃GeTe₂ is the subject of extensive investigation due to its tunable magnetic properties, high Curie temperature (Tc ~ 220K), and perpendicular magnetic anisotropy. Many applications in the field of spintronics device development have been quite active due to these appealing features of Fe₃GeTe₂. Although it is known that LR-driven ferromagnetism is necessary to get around the HMW theorem in 2D experimental realization, Heisenberg 2D ferromagnetism remains elusive in condensed matter systems. Here, we show that Fe₃GeTe₂ hosts both localized and delocalized spins, resulting in itinerant and local-moment ferromagnetism. The presence of LR itinerant interaction facilitates to stabilize Heisenberg ferromagnet in 2D. With the help of Rhodes-Wohlfarth (RW) and generalized RW-based analysis, Fe₃GeTe₂ has been shown to be a 2D ferromagnet with itinerant magnetism that can be modulated by an external magnetic field. Hence, the presence of both local moment and itinerant magnetism has made this system interesting in terms of research in low dimensions. We have also rigorously performed critical analysis using an improvised method. We show that the variable critical exponents are typical signatures of 2D ferromagnetism in Fe₃GeTe₂. The spontaneous magnetization exponent β changes the universality class from mean-field to 2D Heisenberg with field. We have also confirmed the range of interaction via the renormalization group (RG) theory. According to RG theory, Fe₃GeTe₂ is a 2D ferromagnet with LR interactions.

Keywords: Van der Waal ferromagnet, 2D ferromagnetism, phase transition, itinerant ferromagnetism, long range order

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Authors: Joanna Skopinska-Wisniewska, Anna Bajek, Marta Ziegler-Borowska, Alina Sionkowska

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Hydrogels are a class of materials widely used in medicine for many years. Proteins, such as collagen, due to the presence of a large number of functional groups are easily wettable by polar solvents and can create hydrogels. The supramolecular network capable to swelling is created by cross-linking of the biopolymers using various reagents. Many cross-linking agents has been tested for last years, however, researchers still are looking for a new, more secure reactants. Squaric acid, 3,4-dihydroxy 3-cyclobutene 1,2- dione, is a very strong acid, which possess flat and rigid structure. Due to the presence of two carboxyl groups the squaric acid willingly reacts with amino groups of collagen. The main purpose of this study was to investigate the influence of addition of squaric acid on the chemical, physical and biological properties of collagen materials. The collagen type I was extracted from rat tail tendons and 1% solution in 0.1M acetic acid was prepared. The samples were cross-linked by the addition of 5%, 10% and 20% of squaric acid. The mixtures of all reagents were incubated 30 min on magnetic stirrer and then dialyzed against deionized water. The FTIR spectra show that the collagen structure is not changed by cross-linking by squaric acid. Although the mechanical properties of the collagen material deteriorate, the temperature of thermal denaturation of collagen increases after cross-linking, what indicates that the protein network was created. The lyophilized collagen gels exhibit porous structure and the pore size decreases with the higher addition of squaric acid. Also the swelling ability is lower after the cross-linking. The in vitro study demonstrates that the materials are attractive for 3T3 cells. The addition of squaric acid causes formation of cross-ling bonds in the collagen materials and the transparent, stiff hydrogels are obtained. The changes of physicochemical properties of the material are typical for cross-linking process, except mechanical properties – it requires further experiments. However, the results let us to conclude that squaric acid is a suitable cross-linker for protein materials for medicine and tissue engineering.

Keywords: collagen, squaric acid, cross-linking, hydrogel

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Authors: Marta Błażkiewicz, Adam Konefał

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Currently, boron-neutron therapy is carried out mainly with the use of a neutron beam generated in research nuclear reactors. This fact limits the possibility of realization of a BNCT in centers distant from the above-mentioned reactors. Moreover, the number of active nuclear reactors in operation in the world is decreasing due to the limited lifetime of their operation and the lack of new installations. Therefore, the possibilities of carrying out boron-neutron therapy based on the neutron beam from the experimental reactor are shrinking. However, the use of nuclear power reactors for BNCT purposes is impossible due to the infrastructure not intended for radiotherapy. Therefore, a serious challenge is to find ways to perform boron-neutron therapy based on neutrons generated outside the research nuclear reactor. This work meets this challenge. Its goal is to develop a BNCT technique based on commonly available neutron sources such as Cf-252 and PuBe, which will enable the above-mentioned therapy in medical centers unrelated to nuclear research reactors. Advances in the field of neutron source fabrication make it possible to achieve strong neutron fluxes. The current stage of research focuses on the development of virtual models of the above-mentioned sources using the Monte Carlo simulation method. In this study, the GEANT4 tool was used, including the model for simulating neutron-matter interactions - High Precision Neutron. Models of neutron sources were developed on the basis of experimental verification based on the activation detectors method with the use of indium foil and the cadmium differentiation method allowing to separate the indium activation contribution from thermal and resonance neutrons. Due to the large number of factors affecting the result of the verification experiment, the 10% discrepancy between the simulation and experiment results was accepted.

Keywords: BNCT, virtual models, neutron sources, monte carlo, GEANT4, neutron activation detectors, gamma spectroscopy

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Authors: Yeraldin Galindo, Soraida Mora

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Solid urban waste represents one of the largest sources of global environmental pollution due to the large quantities of these that are produced every day; thus, the elimination of such waste is a major problem for the environmental authorities who must look for alternatives to reduce the volume of waste with the possibility of obtaining an energy recovery. At the Autónoma de Colombia University, approximately 423.27 kg/d of solid waste are generated mainly paper, cardboard, and plastic. A large amount of these solid wastes has as final disposition the sanitary landfill of the city, wasting the energy potential that these could have, this, added to the emissions generated by the collection and transport of the same, has as consequence the increase of atmospheric pollutants. One of the alternative process used in the last years to generate electrical energy from solid waste such as paper, cardboard, plastic and, mainly, organic waste or biomass to replace the use of fossil fuels is the gasification. This is a thermal conversion process of biomass. The objective of it is to generate a combustible gas as the result of a series of chemical reactions propitiated by the addition of heat and the reaction agents. This project was developed with the intention of giving an energetic use to the waste (paper, cardboard, and plastic) produced inside the university, using them to generate a synthesis gas with a gasifier prototype. The gas produced was evaluated to determine their benefits in terms of electricity generation or raw material for the chemical industry. In this process, air was used as gasifying agent. The characterization of the synthesis gas was carried out by a gas chromatography carried out by the Chemical Engineering Laboratory of the National University of Colombia. Taking into account the results obtained, it was concluded that the gas generated is of acceptable quality in terms of the concentration of its components, but it is a gas of low calorific value. For this reason, the syngas generated in this project is not viable for the production of electrical energy but for the production of methanol transformed by the Fischer-Tropsch cycle.

Keywords: alternative energies, gasification, gasifying agent, solid urban waste, syngas

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Authors: Reza Tirsadi Librawan, Tara Vergita Rakhma

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The increasing demand for energy and concern of global warming are intertwined issues of critical importance. With the pressing needs of clean, efficient and cost-effective energy conversion processes, an alternative clean energy source is needed. Biomass is one of the preferable options because it is clean and renewable. The efficiency for biomass conversion is constrained by the relatively low energy density and high moisture content from biomass. This study based on bio-based resources presents the Biomass Direct Chemical Looping Combustion Process (BDCLC), an alternative process that has a potential to convert biomass in thermal cracking to produce electricity and CO2. The BDCLC process using iron-based oxygen carriers has been developed as a biomass conversion process with in-situ CO2 capture. The BDCLC system cycles oxygen carriers between two reactor, a reducer reactor and combustor reactor in order to convert coal for electric power generation. The reducer reactor features a unique design: a gas-solid counter-current moving bed configuration to achieve the reduction of Fe2O3 particles to a mixture of Fe and FeO while converting the coal into CO2 and steam. The combustor reactor is a fluidized bed that oxidizes the reduced particles back to Fe2O3 with air. The oxidation of iron is an exothermic reaction and the heat can be recovered for electricity generation. The plant design’s objective is to obtain 5 MW of electricity with the design of the reactor in 900 °C, 2 ATM for the reducer and 1200 °C, 16 ATM for the combustor. We conduct process simulation and analysis to illustrate the individual reactor performance and the overall mass and energy management scheme of BDCLC process that developed by Aspen Plus software. Process simulation is then performed based on the reactor performance data obtained in multistage model.

Keywords: biomass, CO2 capture, direct chemical looping combustion, power generation

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Authors: Alfathony Krisnabudhi, Syahli Reza Ananda, M. Edo Marshal, M. Maaruf Mukti

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This study investigates the kinematics and basin development of pull-apart basin Sunda Strait based on palinspastic reconstructions of new acquired seismic reflection data to unravel hydrocarbon exploration opportunity in frontier area, fore-arc basin western Indonesia. We use more than 780 km seismic reflection data that cover whole basin. Structural patterns in Sunda Strait are dominated by northwest-southeast trending planar and listric-normal faults which appear to be graben and half-graben system. The main depocentre of this basin is East Semangko graben and West Semangko graben that are formed by overstepping of Sumatra Fault Zone and Ujungkulon Fault Zone. In father east, another depocentre is recognized as the Krakatau graben. The kinematic evolution started in Middle Miocene, characterized by the initiation of basement faulting with 0% to 7.00% extension. Deposition stratigraphic unit 1 and unit 2 started at 7.00% to 10.00% extension in Late Miocene and recognized as pre-transtensional deposit. The Plio-Pleistocene unit 3 and 4 were deposited as syn-transtensional deposit with 10.00% to 17.00% extension contemporaneously with the initiation of uplift NW-SE trending ridges due to the evolution of cross-basin fault in central basin and the development of en-echelon basin margin in a transtensional system. The control of sedimentation rate and basin subsidence cause the Neogene sediment to be very thick. We suggest that both controls allow thermal and pressure to generate hydrocarbon habitats in the pre-transtensional deposits. It is reinforced by stable kinematic evolution and interpretation of the deposition environment of pre-transtensional deposits that are deposited in the marine environment.

Keywords: kinematics, palinspastic, Sunda Strait, hydrocarbon exploration, fore-arc basin

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Authors: Scott Nielsen, Luca Longanesi, Chris Chuck

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Palm oil is obtained from the flesh and kernel of the fruit of oil palms and is the most productive and inexpensive oil crop. The global demand for palm oil is approximately 75 million metric tonnes, a 29% increase in global production of palm oil since 2016. This expansion of oil palm cultivation has resulted in mass deforestation, vast biodiversity destruction and increasing net greenhouse gas emissions. One possible alternative is to produce a saturated oil, similar to palm, from microbes such as oleaginous yeast. The yeasts can be cultured on sugars derived from second-generation sources and do not compete with tropical forests for land. One highly promising oleaginous yeast for this application is Metschnikowia pulcherrima. However, recent techno-economic modeling has shown that cell lysis and standard lipid extraction are major contributors to the cost of the oil. Typical cell disruption techniques to extract either single cell oils or proteins have been based around bead-beating, homogenization and acid lysis. However, these can have a detrimental effect on lipid quality and are energy-intensive. In this study, a vortex separator, which produces high sheer with minimal energy input, was investigated as a potential low energy method of lysing cells. This was compared to four more traditional methods (thermal lysis, acid lysis, alkaline lysis, and osmotic lysis). For each method, the yeast loading was also examined at 1 g/L, 10 g/L and 100 g/L. The quality of the cell disruption was measured by optical cell density, cell counting and the particle size distribution profile comparison over a 2-hour period. This study demonstrates that the vortex separator is highly effective at lysing the cells and could potentially be used as a simple apparatus for lipid recovery in an oleaginous yeast process. The further development of this technology could potentially reduce the overall cost of microbial lipids in the future.

Keywords: palm oil substitute, metschnikowia pulcherrima, cell disruption, cell lysis

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Authors: Adel A. Ghoneim

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Desalination using solar energy is an interesting option specifically at regions with abundant solar radiation since such areas normally have scarcity of clean water resources. Desalination is the procedure of eliminating dissolved minerals from seawater or brackish water to generate fresh water. In this work, a simulation program is developed to determine the performance of reverse osmosis (RO) water desalination plant powered by high concentrated photovoltaic (HCPV) panels in Kuwait climate conditions. The objective of such a photovoltaic thermal system is to accomplish a double output, i.e., co-generation of both electricity and fresh water that is applicable for rural regions with high solar irradiation. The suggested plan enables to design an RO plant that does not depend on costly batteries or additional land and significantly reduce the government costs to subsidize the water generation cost. Typical weather conditions for Kuwait is employed as input to the simulation program. The simulation program is utilized to optimize the system efficiency as well as the distillate water production. The areas and slopes of HCPV modules are varied to attain maximum yearly power production. Maximum yearly distillate production and HCPV energy generation are found to correspond to HCPV facing south with tilt of 27° (Kuwait latitude-3°). The power needed to produce 1 l of clean drinking water ranged from 2 to 8 kW h/m³, based on the salinity of the feed water and the system operating conditions. Moreover, adapting HCPV systems achieve an avoided greenhouse gases emission by about 1128 ton CO₂ annually. Present outcomes certainly illustrate environmental advantages of water desalination system powered by high concentrated photovoltaic systems in Kuwait climate conditions.

Keywords: desalination, high concentrated photovoltaic systems, reverse osmosis, solar radiation

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Authors: Takahiro Saida, Takahiro Kogiso, Takahiro Maruyama

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The ordered structural carbon (OSC) material is expected to apply to the electrode of secondary batteries, the catalyst supports, and the biomaterials because it shows the low substance-diffusion resistance by its uniform pore size. In general, the OSC material is synthesized using the template material. Changing size and shape of this template provides the pore size of OSC material according to the purpose. Depositing the oxide nanosheets on the polymer sphere template by the layer by layer (LbL) method was reported as one of the preparation methods of OSC material. The LbL method can provide the controlling thickness of structural wall without the surface modification. When the preparation of the uniform carbon sphere prepared by the LbL method which composed of the graphene oxide wall and the polymethyl-methacrylate (PMMA) core, the reduction treatment will be the important object. Since the graphene oxide has poor electron conductivity due to forming a lot of functional groups on the surface, it could be hard to apply to the electrode of secondary batteries and the catalyst support of fuel cells. In this study, the graphene oxide wall of carbon sphere was reduced by the thermal treatment under the vacuum conditions, and its crystalline structure and electronic state were characterized. Scanning electron microscope images of the carbon sphere after the heat treatment at 300ºC showed maintaining sphere shape, but its shape was collapsed with increasing the heating temperature. In this time, the dissolution rate of PMMA core and the reduction rate of graphene oxide were proportionate to heating temperature. In contrast, extending the heating time was conducive to the conservation of the sphere shape. From results of X-ray photoelectron spectroscopy analysis, its electronic state of the surface was indicated mainly sp² carbon. From the above results, we succeeded in the synthesis of the sphere structure composed by the reduction graphene oxide.

Keywords: carbon sphere, graphene oxide, reduction, layer by layer

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Authors: Haruka Ito, Toru Maruyama, Michihiro Ito, Chuya Shinzato, Hiroyuki Fujimura, Yoshikatsu Nakano, Shoichiro Suda, Sachiyo Aburatani, Haruko Takeyama

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Clarifying symbiotic relationships is one of the most important theme for understanding the marine eco-system. Coral reef has been regarded as an important environmental resource. Coral holobiont composed by coral, symbiotic microalgae zooxanthellae, and bacteria have complexed relationship. Zooxanthellae mainly supply organic matter to the host corals through their photosynthetic activity. The symbiotic relationship is indispensable for corals but may easily collapses due to the rise of seawater temperature. However, the molecular mechanism how seawater temperature influences their relationships still remain unclear. In this study, the transcriptomic analysis has applied to elucidate the coral-zooxanthellae relationships under high seawater temperature stress. To observe reactions of corals and zooxanthellae against the rise of seawater temperature, meta-gene expression in coral have been analyzed. The branches from six different colonies of a stony coral, Acropora tenuis, were sampled at nine times by 2016 at two locations, Ishikawabaru and South of Sesoko Island, Okinawa, Japan. The mRNAs extracted from the branches including zooxanthellae were sequenced by illumina HiSeq. Gene Set Enrichment Analysis (GSEA) based on hyper geometric distribution was performed. The seawater temperature at 2016 summer was unusually high, which was caused by El Niño event, and the number of zooxanthellae in coral was decreased in August. GSEA derived the several specific genes expressed in A. tenuis under heat stress conditions. The upregulated genes under heat stress highly related with infection immunity. The downregulated genes significantly contained cell cycle related genes. Thu, it is considered that heat stress cause disorder in cell metabolism of A. tenuis, resulting in serious influence to coral holobiont.

Keywords: coral, symbiosis, thermal stress response, transcriptome analysis

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Authors: Kevin A. Droguett, Edwin G. Pérez, Denis Fuentealba, Margarita E. Aliaga, Angélica M. Fierro

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Supramolecular chemistry is a field of growing interest. Moreover, studying the formation of host-guest complexes between macrocycles and dyes is highly attractive due to their potential applications. Examples of the above are drug delivery, catalytic process, and sensing, among others. There are different dyes of interest in the literature; one example is the quinolinone derivatives. Those molecules have good optical properties and chemical and thermal stability, making them suitable for developing fluorescent probes. Secondly, several macrocycles can be seen in the literature. One example is the cucurbiturils. This water-soluble macromolecule family has a hydrophobic cavity and two identical carbonyl portals. Additionally, the thermodynamic analysis of those supramolecular systems could help understand the affinity between the host and guest, their interaction, and the main stabilization energy of the complex. In this work, two 7-(diethylamino) quinoline-2 (1H)-one derivative (QD1-2) and their interaction with cucurbit[7]uril (CB[7]) were studied from an experimental and in-silico point of view. For the experimental section, the complexes showed a 1:1 stoichiometry by HRMS-ESI and isothermal titration calorimetry (ITC). The inclusion of the derivatives on the macrocycle lends to an upward shift in the fluorescence intensity, and the pKa value of QD1-2 exhibits almost no variation after the formation of the complex. The thermodynamics of the inclusion complexes was investigated using ITC; the results demonstrate a non-classical hydrophobic effect with a minimum contribution from the entropy term and a constant binding on the order of 106 for both ligands. Additionally, dynamic molecular studies were carried out during 300 ns in an explicit solvent at NTP conditions. Our finding shows that the complex remains stable during the simulation (RMSD ~1 Å), and hydrogen bonds contribute to the stabilization of the systems. Finally, thermodynamic parameters from MMPBSA calculations were obtained to generate new computational insights to compare with experimental results.

Keywords: host-guest complexes, molecular dynamics, quinolin-2(1H)-one derivatives dyes, thermodynamics

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Authors: Chularat Leewuttanakul, Khanitta Ruttarattanamongkol, Sasivimon Chittrakorn

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Rice during grain development stage is a rich source of many bioactive compounds. Dough stage rice contains high amounts of photochemical and can be used for rice milling industries. However, rice grain at dough stage had low milling quality due to high moisture content. Thermal processing can be applied to rice grain for improving milled rice yield. This experiment was conducted to study the chemical and physic properties of dough stage rice grain after roasting treatment. Rice were roasted with two different methods including traditional pan roasting at 140 °C for 60 minutes and using the electrical roasting machine at 140 °C for 30, 40, and 50 minutes. The chemical, physical properties, and bioactive compounds of brown rice and milled rice were evaluated. The result of this experiment showed that moisture content of brown and milled rice was less than 10 % and amylose contents were in the range of 26-28 %. Rice grains roasting for 30 min using electrical roasting machine had high head rice yield and length and breadth of grain after milling were close to traditional pan roasting (p > 0.05). The lightness (L*) of rice did not affect by roasting treatment (p > 0.05) and the a* indicated the yellowness of milled rice was lower than brown rice. The bioactive compounds of brown and milled rice significantly decreased with increasing of drying time. Brown rice roasted for 30 minutes had the highest of total phenolic content, antioxidant activity, α-tocopherol, and ɤ-oryzanol content. Volume expansion and elongation of cooked rice decreased as roasting time increased and quality of cooked rice roasted for 30 min was comparable to traditional pan roasting. Hardness of cooked rice as measured by texture analyzer increased with increasing roasting time. The results indicated that rice grains at dough stage, containing a high amount of bioactive compounds, have a great potential for rice milling industries and the electrical roasting machine can be used as an alternative to pan roasting which decreases processing time and labor costs.

Keywords: bioactive compounds, cooked rice, dough stage rice grain, grain development, roasting

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