Search results for: energy engineering

Authors: Komala Arsi, Ann M. Donoghue, Dan J. Donoghue

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Methionine is an essential dietary amino acid necessary to promote growth and health of poultry. Synthetic methionine is commonly used as a supplement in conventional poultry diets and is temporarily allowed in organic poultry feed for lack of natural and organically approved sources of methionine. It has been a challenge to find a natural, sustainable and cost-effective source for methionine which reiterates the pressing need to explore potential alternatives of methionine for organic poultry production. Fish have high concentrations of methionine, but wild-caught fish are expensive and adversely impact wild fish populations. Asian carp (AC) is an invasive species and its utilization has the potential to be used as a natural methionine source. However, to our best knowledge, there is no proven technology to utilize this fish as a methionine source. In this study, we co-extruded Asian carp and soybean meal to form a dry-extruded, methionine-rich AC meal. In order to formulate rations with the novel extruded carp meal, the product was tested on cecectomized roosters for its amino acid digestibility and total metabolizable energy (TMEn). Excreta was collected and the gross energy, protein content of the feces was determined to calculate Total Metabolizable Energy (TME). The methionine content, digestibility and TME values were greater for the extruded AC meal than control diets. Carp meal was subsequently tested as a methionine source in feeds formulated for broilers, and production performance (body weight gain and feed conversion ratio) was assessed in comparison with broilers fed standard commercial diets supplemented with synthetic methionine. In this study, broiler chickens were fed either a control diet with synthetic methionine or a treatment diet with extruded AC meal (8 replicates/treatment; n=30 birds/replicate) from day 1 to 42 days of age. At the end of the trial, data for body weights, feed intake and feed conversion ratio (FCR) was analyzed using one-way ANOVA with Fisher LSD test for multiple comparisons. Results revealed that birds on AC diet had body weight gains and feed intake comparable to diets containing synthetic methionine (P > 0.05). Results from the study suggest that invasive AC-derived fish meal could potentially be an effective and inexpensive source of sustainable natural methionine for organic poultry farmers.

Keywords: Asian carp, methionine, organic, poultry

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Authors: Kayla Youhanaie, Kenneth Dott, Greg Gillis-Smith

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Access to clean water is a global challenge that affects nearly one-third of the world’s population. A lack of safe drinking water negatively affects a person’s health, safety, and economic status. However, many regions of the world that face this clean water challenge also have high solar energy potential. To address this worldwide issue and utilize available resources, a solar-powered water purification device was developed that could be implemented in communities around the world that lack access to potable water. The device uses ozone to destroy water-borne pathogens and sand filtration to filter out particulates from the water. To select the best method for this application, a quantitative energy efficiency comparison of three water purification methods was conducted: heat, UV light, and ozone. After constructing an initial prototype, the efficacy of the device was tested using agar petri dishes to test for bacteria growth in treated water samples at various time intervals after applying the device to contaminated water. The results demonstrated that the water purification device successfully removed all bacteria and particulates from the water within three minutes, making it safe for human consumption. These results, as well as the proposed design that utilizes widely available resources in target communities, suggest that the device is a sustainable solution to address the global water crisis and could improve the quality of life for millions of people worldwide.

Keywords: clean water, solar powered water purification, ozonation, sand filtration, global water crisis

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Authors: Abdelkader Elhanaoui, Mhamed Hadji, Rachid Skouri, Said Agounad

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The purpose of this paper is to study the phenomenon of acoustic scattering by using a new method. The signal processing (Fast Fourier Transform FFT Inverse Fast Fourier Transform iFFT and BESSEL functions) is widely applied to obtain information with high precision accuracy. Signal processing has a wider implementation in general-purpose pro-cessors. Our interest was focused on the use of FPGAs (Field-Programmable Gate Ar-rays) in order to minimize the computational complexity in single processor architecture, then be accelerated on FPGA and meet real-time and energy efficiency requirements. Gen-eral-purpose processors are not efficient for signal processing. We implemented the acous-tic backscattered signal processing model on the Altera DE-SOC board and compared it to Odroid xu4. By comparison, the computing latency of Odroid xu4 and FPGA is 60 sec-onds and 3 seconds, respectively. The detailed SoC FPGA-based system has shown that acoustic spectra are performed up to 20 times faster than the Odroid xu4 implementation. FPGA-based system of processing algorithms is realized with an absolute error of about 10⁻³. This study underlines the increasing importance of embedded systems in underwater acoustics, especially in non-destructive testing. It is possible to obtain information related to the detection and characterization of submerged cells. So we have achieved good exper-imental results in real-time and energy efficiency.

Keywords: DE1 FPGA, acoustic scattering, form function, signal processing, non-destructive testing

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Authors: Dmitry Ustinov, Olga Lobareva

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The method of Deep Systemic Constellations is based on a phenomenological approach. Using the phenomenon of substitutive perception it was established that the human consciousness has a hierarchical structure, where deeper levels govern more superficial ones (reactive level, energy or ancestral level, spiritual level, magical level, and deeper levels of consciousness). Every human possesses a depth of consciousness to the spiritual level, however deeper levels of consciousness are not found for every person. It was found that the spiritual level of consciousness is not homogeneous and has its own internal hierarchy of sublevels (the level of formation of spiritual values, the level of the 'inner observer', the level of the 'path', the level of 'God', etc.). The depth of the spiritual level of a person defines the paradigm of all his internal processes and the main motives of the movement through life. At any level of consciousness disturbances can occur. Disturbances at a deeper level cause disturbances at more superficial levels and are manifested in the daily life of a person in feelings, behavioral patterns, psychosomatics, etc. Without removing the deepest source of a disturbance it is impossible to completely correct its manifestation in the actual moment. Thus a destructive pattern of feeling and behavior in the actual moment can exist because of a disturbance, for example, at the spiritual level of a person (although in most cases the source is at the energy level). Psychological work with superficial levels without removing a source of disturbance cannot fully solve the problem. The method of Deep Systemic Constellations allows one to work effectively with the source of the problem located at any depth. The methodology has confirmed its effectiveness in working with more than a thousand people.

Keywords: constellations, spiritual psychology, structure of consciousness, transpersonal psychology

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Authors: Arunima Verma, Padmabati Mondal

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Serotonin-receptor binding plays a key role in several neurological and biological processes, including mood, sleep, hunger, cognition, learning, and memory. In this article, we performed molecular dynamics simulation to examine the key residues that play an essential role in the binding of serotonin to the G-protein-coupled 5-HT₁ᴮ receptor (5-HT₁ᴮ R) via electrostatic interactions. An end-point free energy calculation method (MM-PBSA) determines the stability of the 5-HT1B R due to serotonin binding. The single-point mutation of the polar or charged amino acid residues (Asp129, Thr134) on the binding sites and the calculation of binding free energy validate the importance of these residues in the stability of the serotonin-receptor complex. Principal component analysis indicates the serotonin-bound 5-HT1BR is more stabilized than the apo-receptor in terms of dynamical changes. The difference dynamic cross-correlations map shows the correlation between the transmembrane and mini-Go, which indicates signal transduction happening between mini-Go and the receptor. Allosteric communication reveals the key nodes for signal transduction in 5-HT1BR. These results provide useful insights into the signal transduction pathways and mutagenesis study to regulate the functionality of the complex. The developed protocols can be applied to study local non-covalent interactions and long-range allosteric communications in any protein-ligand system for computer-aided drug design.

Keywords: allostery, CADD, MD simulations, MM-PBSA

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Authors: M. Imran Hossen Khan, M. Mahiuddin, M. A. Karim

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Drying is a food processing technique where simultaneous heat and mass transfer take place from surface to the center of the sample. Deformation of food materials during drying is a common physical phenomenon which affects the textural quality and taste of the dried product. Most of the plant-based food materials are porous and hygroscopic in nature that contains about 80-90% water in different cellular environments: intercellular environment and intracellular environment. Transport of this cellular water has a significant effect on material deformation during drying. However, understanding of the scale of deformation is very complex due to diverse nature and structural heterogeneity of food material. Knowledge about the effect of transport of cellular water on deformation of material during drying is crucial for increasing the energy efficiency and obtaining better quality dried foods. Therefore, the primary aim of this work is to investigate the effect of intracellular water transport on material deformation during drying. In this study, apple tissue was taken for the investigation. The experiment was carried out using 1H-NMR T2 relaxometry with a conventional dryer. The experimental results are consistent with the understanding that transport of intracellular water causes cellular shrinkage associated with the anisotropic deformation of whole apple tissue. Interestingly, it is found that the deformation of apple tissue takes place at different stages of drying rather than deforming at one time. Moreover, it is found that the penetration rate of heat energy together with the pressure gradient between intracellular and intercellular environments is the responsible force to rupture the cell membrane.

Keywords: heat and mass transfer, food material, intracellular water, cell rupture, deformation

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Authors: Ezekiel Olukayode Akintunde

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There is a high level of inadequate methods at all levels of food supply in the global food industry. The inadequacies have led to vast wastages of food. Hence there is a need to curb the wastages that can later affect natural resources, water resources, and energy to avoid negative impacts on the climate and the environment. There is a need to engage multifaceted engineering packaging approaches for a sustainable food chain to ensure active packaging, intelligent packaging, new packaging materials, and a sustainable packaging system. Packaging can be regarded as an indispensable component approach that can be applied to solve major problems of sustainable food consumption globally; this is about controlling the environmental impact of packed food. The creative innovation will ensure that packaged foods are free from food-borne diseases and food chemical pollution. This paper evaluates the key shortcomings that must be addressed by innovative food packaging to ensure a safe, natural environment that will preserve energy and sustain water resources. Certain solutions, including fabricating microbial biodegradable chemical compounds/polymers from agro-food waste remnants, appear a bright path to ensure a strong and innovative waste-based food packaging system. Over the years, depletion in the petroleum reserves has brought about the emergence of biodegradable polymers as a proper replacement for traditional plastics; moreover, the increase in the production of traditional plastics has raised serious concerns about environmental threats. Biodegradable polymers have proven to be biocompatible, which can also be processed for other useful applications. Therefore, this study will showcase a workable guiding framework for designing a sustainable food packaging system that will not constitute a danger to our present society and that will surely preserve natural water resources. Various assessment methods will be deployed at different stages of the packaging design to enhance the package's sustainability. Every decision that will be made must be facilitated with methods that will be engaged per stage to allow for corrective measures throughout the cycle of the design process. Basic performance appraisal of packaging innovations. Food wastage can result in inimical environmental impacts, and ethical practices must be carried out for food loss at home. An examination in West Africa quantified preventable food wastage over the entire food value chain at almost 180kg per person per year. That is preventable food wastage, 35% of which originated at the household level. Many food losses reported, which happened at the harvesting, storage, transportation, and processing stages, are not preventable and are without much environmental impact because such wastage can be used for feeding. Other surveys have shown that 15%-20% of household food losses can be traced to food packaging. Therefore, new innovative packaging systems can lessen the environmental effect of food wastage to extend shelf‐life to lower food loss in the process distribution chain and at the household level.

Keywords: food packaging, biodegradable polymer, intelligent packaging, shelf-life

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Authors: Valentina A. Mikhailova, Serguei V. Feskov, Anatoly I. Ivanov

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In the last decade the nonequilibrium charge transfer have attracted considerable interest from the scientific community. Examples of such processes are the charge recombination in excited donor-acceptor complexes and the intramolecular electron transfer from the second excited electronic state. In these reactions the charge transfer proceeds predominantly in the nonequilibrium mode. In the excited donor-acceptor complexes the nuclear nonequilibrium is created by the pump pulse. The intramolecular electron transfer from the second excited electronic state is an example where the nuclear nonequilibrium is created by the forward electron transfer. The kinetics of these nonequilibrium reactions demonstrate a number of peculiar properties. Most important from them are: (i) the absence of the Marcus normal region in the free energy gap law for the charge recombination in excited donor-acceptor complexes, (ii) extremely low quantum yield of thermalized charge separated state in the ultrafast charge transfer from the second excited state, (iii) the nonexponential charge recombination dynamics in excited donor-acceptor complexes, (iv) the dependence of the charge transfer rate constant on the excitation pulse frequency. This report shows that most of these kinetic features can be well reproduced in the framework of stochastic point-transition multichannel model. The model involves an explicit description of the nonequilibrium excited state formation by the pump pulse and accounts for the reorganization of intramolecular high-frequency vibrational modes, for their relaxation as well as for the solvent relaxation. The model is able to quantitatively reproduce complex nonequilibrium charge transfer kinetics observed in modern experiments. The interpretation of the nonequilibrium effects from a unified point of view in the terms of the multichannel point transition stochastic model allows to see similarities and differences of electron transfer mechanism in various molecular donor-acceptor systems and formulates general regularities inherent in these phenomena. The nonequilibrium effects in photoinduced ultrafast charge transfer which have been studied for the last 10 years are analyzed. The methods of suppression of the ultrafast charge recombination, similarities and dissimilarities of electron transfer mechanism in different molecular donor-acceptor systems are discussed. The extremely low quantum yield of the thermalized charge separated state observed in the ultrafast charge transfer from the second excited state in the complex consisting of 1,2,4-trimethoxybenzene and tetracyanoethylene in acetonitrile solution directly demonstrates that its effectiveness can be close to unity. This experimental finding supports the idea that the nonequilibrium charge recombination in the excited donor-acceptor complexes can be also very effective so that the part of thermalized complexes is negligible. It is discussed the regularities inherent to the equilibrium and nonequilibrium reactions. Their fundamental differences are analyzed. Namely the opposite dependencies of the charge transfer rates on the dynamical properties of the solvent. The increase of the solvent viscosity results in decreasing the thermal rate and vice versa increasing the nonequilibrium rate. The dependencies of the rates on the solvent reorganization energy and the free energy gap also can considerably differ. This work was supported by the Russian Science Foundation (Grant No. 16-13-10122).

Keywords: Charge recombination, higher excited states, free energy gap law, nonequilibrium

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Authors: Shivalinge Gowda

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The total mass attenuation coefficients m/r, of some halides such as, NaCl, KCl, CuCl, NaBr, KBr, RbCl, AgCl, NaI, KI, AgBr, CsI, HgCl₂, CdI₂ and HgI₂ were determined at photon energies 279.2, 320.07, 514.0, 661.6, 1115.5, 1173.2 and 1332.5 keV in a well-collimated narrow beam good geometry set-up using a high resolution, hyper pure germanium detector. The mass attenuation coefficients and the effective atomic cross sections are found to be in good agreement with the XCOM values. From these mass attenuation coefficients, the effective atomic cross sections s_a, of the compounds were determined. These effective atomic cross section s_a data so obtained are then used to compute the effective atomic numbers Z_eff. For this, the interpolation of total attenuation cross-sections of photons of energy E in elements of atomic number Z was performed by using the logarithmic regression analysis of the data measured by the authors and reported earlier for the above said energies along with XCOM data for standard energies. The best-fit coefficients in the photon energy range of 250 to 350 keV, 350 to 500 keV, 500 to 700 keV, 700 to 1000 keV and 1000 to 1500 keV by a piecewise interpolation method were then used to find the Z_eff of the compounds with respect to the effective atomic cross section s_a from the relation obtained by piece wise interpolation method. Using these Z_eff values, the electron densities N_el of halides were also determined. The present Z_eff and N_el values of halides are found to be in good agreement with the values calculated from XCOM data and other available published values.

Keywords: mass attenuation coefficient, atomic cross-section, effective atomic number, electron density

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Authors: Neva Leposa

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While environmental policy makers are trying to increase pro-environmental behavior among tourists or outdoor recreation users through changing users’ attitudes, the focus of this paper is turned to the importance of so far marginalized – materiality in the users’ practices. The case study of leisure boating in Sweden used in this paper demonstrates how through the change of materiality (i.e. equipment and physical size of the leisure boats) emergent affordances in materially bound practices are transformed, and the boater-boat-sea nexus is redefined. Participatory observation and in-depth interviewing of Swedish West Coast visitors reveal two stories, first one points to the fact that sail boating practice is becoming increasingly motorized and second one describes how leisure boats are becoming increasingly perceived and used as mobile summer houses. Hence, such practice increases energy and matter consumption. This paper describes how that change happens through practice theory and affordance theory, thus points to visibility and the importance of materiality in shaping human nature nexus. Boating practice changes through the change of the materiality of the boats. In particular, energy consumption increases through the change of engagement with the matter. This study puts focus environmental attitudes focused strivings in question, for the fact that it is too individual-centered and lacks contextual understanding of the materially bound practices and may fail in the very thing it is aiming to do - reduce the environmental impacts.

Keywords: practice theory, affordance theory, leisure boating, materiality

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Authors: Serhat Tuzun, Tufan Demirel

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Multi-Criteria Decision Making (MCDM) is the modelling of real-life to solve problems we encounter. It is a discipline that aids decision makers who are faced with conflicting alternatives to make an optimal decision. MCDM problems can be classified into two main categories: Multi-Attribute Decision Making (MADM) and Multi-Objective Decision Making (MODM), based on the different purposes and different data types. Although various MADM techniques were developed for the problems encountered, their methodology is limited in modelling real-life. Moreover, objective results are hard to obtain, and the findings are generally derived from subjective data. Although, new and modified techniques are developed by presenting new approaches such as fuzzy logic; comprehensive techniques, even though they are better in modelling real-life, could not find a place in real world applications for being hard to apply due to its complex structure. These constraints restrict the development of MADM. This study aims to conduct a comprehensive analysis of preference methods in MADM and propose an approach based on information. For this purpose, a detailed literature review has been conducted, current approaches with their advantages and disadvantages have been analyzed. Then, the approach has been introduced. In this approach, performance values of the criteria are calculated in two steps: first by determining the distribution of each attribute and standardizing them, then calculating the information of each attribute as informational energy.

Keywords: literature review, multi-attribute decision making, operations research, preference method, informational energy

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Authors: J. Hroudova, J. Zach, L. Vodova

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When insulation and rehabilitation of structures is important to use quality building materials with high utility value. One potentially interesting and promising groups of construction materials in this area are advanced, thermally insulating plaster silicate based. With the present trend reduction of energy consumption of building structures and reducing CO2 emissions to be developed capillary-active materials that are characterized by their low density, low thermal conductivity while maintaining good mechanical properties. The paper describes the results of research activities aimed at the development of thermal insulating and rehabilitation material ongoing at the Technical University in Brno, Faculty of Civil Engineering. The achieved results of this development will be the basis for subsequent experimental analysis of the influence of thermal and moisture loads developed on these materials.

Keywords: insulation materials, rehabilitation materials, lightweight aggregate, fly ash, slag, hemp fibers, glass fibers, metakaolin

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Authors: Kayode A. Olaniyi, Olabanji F. Omotoye, Adeola A. Ogunleye

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Computer system components such as the CPU, the Controllers, and the operating system, work together as a team, and storage or memory is the essential parts of this team apart from the processor. The memory and storage system including processor caches, main memory, and storage, form basic storage component of a computer system. The characteristics of the different types of storage are inherent in the design and the technology employed in the manufacturing. These memory characteristics define the speed, compatibility, cost, volatility, and density of the various storage types. Most computers rely on a hierarchy of storage devices for performance. The effective and efficient use of the memory hierarchy of the computer system therefore is the single most important aspect of computer system design and use. The memory hierarchy is becoming a fundamental performance and energy bottleneck, due to the widening gap between the increasing demands of modern computer applications and the limited performance and energy efficiency provided by traditional memory technologies. With the dramatic development in the computers systems, computer storage has had a difficult time keeping up with the processor speed. Computer architects are therefore facing constant challenges in developing high-speed computer storage with high-performance which is energy-efficient, cost-effective and reliable, to intercept processor requests. It is very clear that substantial advancements in redesigning the existing memory physical and logical structures to meet up with the latest processor potential is crucial. This research work investigates the importance of computer memory (storage) hierarchy in the design of computer systems. The constituent storage types of the hierarchy today were investigated looking at the design technologies and how the technologies affect memory characteristics: speed, density, stability and cost. The investigation considered how these characteristics could best be harnessed for overall efficiency of the computer system. The research revealed that the best single type of storage, which we refer to as ideal memory is that logical single physical memory which would combine the best attributes of each memory type that make up the memory hierarchy. It is a single memory with access speed as high as one found in CPU registers, combined with the highest storage capacity, offering excellent stability in the presence or absence of power as found in the magnetic and optical disks as against volatile DRAM, and yet offers a cost-effective attribute that is far away from the expensive SRAM. The research work suggests that to overcome these barriers it may then mean that memory manufacturing will take a total deviation from the present technologies and adopt one that overcomes the associated challenges with the traditional memory technologies.

Keywords: cache, memory-hierarchy, memory, registers, storage

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Authors: Sharib Ahmed, Mansoor Rafi, Kamran Ali Awan, Faraz Khaskhali, Amir Maqbool, Altaf Hashmi

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Medical linear accelerators (LINAC’s) used in radiotherapy treatments produce undesired neutrons when they are operated at energies above 8 MeV, both in electron and photon configuration. Neutrons are produced by high-energy photons and electrons through electronuclear (e, n) a photonuclear giant dipole resonance (GDR) reactions. These reactions occurs when incoming photon or electron incident through the various materials of target, flattening filter, collimators, and other shielding components in LINAC’s structure. These neutrons may reach directly to the patient, or they may interact with the surrounding materials until they become thermalized. A work has been set up to study the effect of different parameter on the production of neutron around the room by photonuclear reactions induced by photons above ~8 MeV. One of the commercial available neutron detector (Ludlum Model 42-31H Neutron Detector) is used for the detection of thermal and fast neutrons (0.025 eV to approximately 12 MeV) inside and outside of the treatment room. Measurements were performed for different field sizes at 100 cm source to surface distance (SSD) of detector, at different distances from the isocenter and at the place of primary and secondary walls. Other measurements were performed at door and treatment console for the potential radiation safety concerns of the therapists who must walk in and out of the room for the treatments. Exposures have taken place from Elekta Synergy® linear accelerators for two different energies (10 MV and 18 MV) for a given 200 MU’s and dose rate of 600 MU per minute. Results indicates that neutron doses at 100 cm SSD depend on accelerator characteristics means jaw settings as jaws are made of high atomic number material so provides significant interaction of photons to produce neutrons, while doses at the place of larger distance from isocenter are strongly influenced by the treatment room geometry and backscattering from the walls cause a greater doses as compare to dose at 100 cm distance from isocenter. In the treatment room the ambient dose equivalent due to photons produced during decay of activation nuclei varies from 4.22 mSv.h−1 to 13.2 mSv.h−1 (at isocenter),6.21 mSv.h−1 to 29.2 mSv.h−1 (primary wall) and 8.73 mSv.h−1 to 37.2 mSv.h−1 (secondary wall) for 10 and 18 MV respectively. The ambient dose equivalent for neutrons at door is 5 μSv.h−1 to 2 μSv.h−1 while at treatment console room it is 2 μSv.h−1 to 0 μSv.h−1 for 10 and 18 MV respectively which shows that a 2 m thick and 5m longer concrete maze provides sufficient shielding for neutron at door as well as at treatment console for 10 and 18 MV photons.

Keywords: equivalent doses, neutron contamination, neutron detector, photon energy

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Authors: Yiping Meng, Yiming Sun

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The traditional construction industry is unable to meet the requirements for novel fabrication and construction. Automated construction and digital design have emerged as industry development trends that compensate for this shortcoming under the backdrop of Industrial Revolution 4.0. Benefitting from more flexible working space and more various end-effector tools compared to CNC methods, robot fabrication and construction techniques have been used in irregular architectural design. However, there is a lack of a systematic and comprehensive design and optimisation workflow considering geometric form, material, and fabrication methods. This paper aims to propose a design optimisation workflow for improving the rationality of a free-form timber structure fabricated by the robotic arm. Firstly, the free-form surface is described by NURBS, while its structure is calculated using the finite element analysis method. Then, by considering the characteristics and limiting factors of robotic timber fabrication, strain energy and robustness are set as optimisation objectives to optimise structural morphology by gradient descent method. As a result, an optimised structure with axial force as the main force and uniform stress distribution is generated after the structure morphology optimisation process. With the decreased strain energy and the improved robustness, the generated structure's bearing capacity and mechanical properties have been enhanced. The results prove the feasibility and effectiveness of the proposed optimisation workflow for free-form timber structure morphology design.

Keywords: robotic fabrication, free-form timber structure, Multi-objective optimisation, Structural morphology, rational design

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Authors: Nouf Alharbi, James O'shea

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For decades, renewable energy sources have received considerable global interest due to the increase in fossil fuel consumption. The abundant energy produced by sunlight makes dye-sensitised solar cells (DSSCs) a promising alternative compared to conventional silicon and thin film solar cells due to their transparency and tunable colours, which make them suitable for applications such as windows and glass facades. The transfer of an excited electron onto the surface is an important procedure in the DSSC system, so different groups of dye molecules were studied on the rutile TiO2 (110) surface. Currently, the study of organic dyes has become an interest of researchers due to ruthenium being a rare and expensive metal, and metal-free organic dyes have many features, such as high molar extinction coefficients, low manufacturing costs, and ease of structural modification and synthesis. There are, of course, some groups that have developed organic dyes and exhibited lower light-harvesting efficiency ranging between 4% and 8%. Since most dye molecules are complicated or fragile to be deposited by thermal evaporation or sublimation in the ultra-high vacuum (UHV), all dyes (i.e, D5, SC4, and R6) in this study were deposited in situ using the electrospray deposition technique combined with X-ray photoelectron spectroscopy (XPS) as an alternative method to obtain high-quality monolayers of titanium dioxide. These organic molecules adsorbed onto rutile TiO2 (110) are explored by XPS, which can be used to obtain element-specific information on the chemical structure and study bonding and interaction sites on the surface.

Keywords: dyes, deposition, electrospray, molecules, organic, rutile, sensitised, XPS

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Authors: Elham Mansouri, Asghar Mesbahi

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Purpose: In the current study, we aimed to investigate the macroscopic and microscopic dose enhancement effect of metallic nanoparticles in interstitial brachytherapy of uterus cancer by Iodin-125 source using a nano-lattice model in MCNPX (5) and MCNP6.1 codes. Materials and methods: Based on a nano-lattice simulation model containing a radiation source and a tumor tissue with cellular compartments loaded with 7mg/g spherical nanoparticles (bismuth, gold, and gadolinium), the energy deposited by the secondary electrons in microscopic and macroscopic level was estimated. Results: The results show that the values of macroscopic DEF is higher than microscopic DEF values and the macroscopic DEF values decreases as a function of distance from the brachytherapy source surface. Also, the results revealed a remarkable discrepancy between the DEF and secondary electron spectra calculated by MCNPX (5) and MCNP6.1 codes, which could be justified by the difference in energy cut-off and electron transport algorithms of two codes. Conclusion: According to the both MCNPX (5) and MCNP6.1 outputs, it could be concluded that the presence of metallic nanoparticles in the tumor tissue of uteruscancer increases the physical effectiveness of brachytherapy by I-125 source. The results presented herein give a physical view of radiosensitization potential of different metallic nanoparticles and could be considered in design of analytical and experimental radiosensitization studies in tumor regions using various radiotherapy modalities in the presence of heavy nanomaterials.

Keywords: MCNPX, MCNP6, nanoparticle, brachytherapy

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Authors: Eduardo Martínez González, Mousumi Dey, Pekka Peljo

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Transitioning to a renewable energy model is inevitable owing to the effects of climate change. These energies are aimed at sustainability and a positive impact on the environment, but they are intermittent energies; their connection to the electrical grid depends on creating long-term, efficient, and low-cost energy storage devices. Redox flow batteries are attractive technologies to address this problem, as they store energy in solution through external tanks known as posolyte (solution to storage positive charge) and negolyte (solution to storage negative charge). During the charging process of the device, the posolyte and negolyte solutions are pumped into an electrochemical cell (which has the anode and cathode separated by an ionic membrane), where they undergo oxidation and reduction reactions at electrodes, respectively. The electrogenerated species should be stable and diffuse into the bulk solution. It has been possible to connect gigantic redox flow batteries to the electrical grid. However, the devices created do not fit with the sustainability criteria since their electroactive material consists of vanadium (material scarce and expensive) solutions dissolved in an acidic medium (e.g., 9 mol L-1 of H₂SO₄) that is highly corrosive; so, work is being done on the design of organic-electroactive electrolytes (posolytes and nogolytes) for their operation at different pH values, including neutral medium. As a main characteristic, negolyte species should have low reduction potential values, while the reverse is true for the oxidation process of posolytes. A wide variety of negolytes that store 1 and up to 2 electrons per molecule (in aqueous medium) have been publised. Gallocyanine compound was recently introduced as an electroactive material for developing alkaline flow battery negolytes. The system can storage two electrons per molecule, but its unexpectedly low water solubility was improved with an amino sulphonic acid additive. The cycling stability of and improved gallocyanine electrolyte was demonstrated by operating a flow battery cell (pairing the system to a posolyte composed of ferri/ferrocyanide solution) outside a glovebox. We also discovered that the additive improves the solubility of gallocyanine, but there is a kinetic price to pay for this advantage. Therefore, in this work, the effect of different amino sulphonic acid derivatives on the kinetics and solubility of gallocyanine compound was studied at alkaline solutions. The additive providing a faster electron transfer rate and high solubility was tested in a flow battery cell. An aqueous organic flow battery electrolyte working outside a glovebox with 15 mAhL-1 will be discussed. Acknowledgments: To Bi3BoostFlowBat Project (2021-2025), funded by the European Research Concil. For support with infrastructure, reagents, and a postdoctoral fellowship to Dr. Martínez-González.

Keywords: alkaline flow battery, gallocyanine electroactive material, amine-sulphonic acid additives, improved solubility

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Authors: Farnaz Afrasiaby

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Steel production is a cornerstone of modern industry, yet it generates significant by-products, including steel slag, a material often regarded as waste. In recent years, the growing emphasis on sustainability and circular economy has spurred innovations in the utilization of steel slag, transforming it from an environmental burden into a valuable resource across various sectors. This article explores the latest advancements in steel slag applications and their potential for sustainable development. One of the most promising applications of steel slag lies in the construction industry. Recent innovations includes, Road Construction: Steel slag is being used as an aggregate in asphalt and concrete, offering enhanced durability and reduced maintenance costs. Studies show its superior resistance to weathering compared to traditional materials. Cement Production: Ground steel slag is incorporated as a supplementary cementitious material, reducing the carbon footprint of concrete production while improving its mechanical properties. Steel slag's chemical properties make it an effective material for environmental applications, including Water Treatment. The high alkalinity and calcium content of steel slag make it suitable for neutralizing acidic water and removing heavy metals. Advanced filtration systems utilizing steel slag are gaining traction in industrial wastewater treatment. Soil Stabilization: Steel slag is used to stabilize and improve soil quality in areas affected by erosion or contamination, aiding in land reclamation projects. Innovative methods are transforming steel slag into a resource for energy production and the recovery of valuable materials. Thermal Energy Storage: Steel slag's high heat capacity makes it ideal for use in thermal energy storage systems, particularly in renewable energy projects. Metal Recovery: Advanced techniques such as flotation and magnetic separation are being employed to extract residual iron and other valuable metals from steel slag, turning waste into an economic asset. Steel slag is emerging as a key material in carbon capture and utilization (CCU) technologies. Researchers have developed processes where steel slag reacts with CO₂ to form stable carbonates, effectively sequestering carbon and mitigating greenhouse gas emissions. While the potential of steel slag is immense, certain challenges remain, including variability in its chemical composition and logistical issues related to large-scale utilization. Future research is focusing on: Standardization: Developing consistent quality standards for steel slag to facilitate its widespread adoption. Innovative Processing: Exploring cutting-edge technologies like plasma arc treatment to enhance the usability of steel slag. Integration into Circular Economy: Designing holistic systems that integrate steel slag recycling with other industrial processes to maximize resource efficiency. The innovative utilization of steel slag represents a significant step towards sustainable industrial practices. By converting this by-product into a versatile material for construction, environmental remediation, energy storage, and carbon capture, industries can reduce waste and contribute to environmental conservation. As research and technological advancements continue, steel slag is set to play a pivotal role in shaping a greener future for the steel industry and beyond.

Keywords: steel slag, sustainability, circular economy, carbon capture, construction materials

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Authors: Elise Machline

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In the late 1980’s, sustainable urban development emerged in Europe. Sustainable neighborhoods are one attempt to implement sustainable urban energy planning in the city. So, for twenty years, projects of sustainable neighborhoods (or ‘eco-neighborhoods’) have emerged in Europe. Debates about sustainability no longer restrict it to environmental concerns (to limit greenhouse gas emissions), but rather extend to the economic and social dimensions. A growing number of empirical studies demonstrate that sustainable urbanism yield rental/sale premia, as well as higher occupancy rates and thus higher asset values. For example, European eco neighborhood projects usually focus on the middle to upper classes, given the costs involved in renting or buying the dwellings built in such projects. As a result sustainable residential buildings are not affordable and their construction tends to have a gentrifying effect. An increasing number of countries are institutionalizing green strategies for affordable housing. In France, the sustainable neighborhoods ‘ecoquartier’ must meet environmental performance criteria, have a potential for economic development and, provide social and functional diversity. The issue of social diversity trough the provision of affordable housing has emerged as a dimension of public housing policies. Thus, the ecoquartier residential buildings must be both energy efficient and affordable. Through the Parisian example our study considers how the concept of social diversity and other elements of sustainability are illustrated in the ecoquartiers and whether the authorities have been able to avoid gentrification when implementing a sustainable urban policy.

Keywords: sustainable neighborhoods, social diversity, social housing policies, green buildings

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Authors: Piotr-Robert Lazik, Lena Teichmann, Harald Garrecht

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Many concrete technologists are looking for a solution to replace fly ashes as a component that occurs as a major component of many types of concrete. The importance of such a component is clear -it saves cement and reduces the amount of CO₂ in the atmosphere that occurs during cement production. For example, the amount of cement in ultrahigh strength concrete (UHPC) is approximately 700-800 kg/m³ in normal concrete up to 350 kg/m³. For this reason, it is easy to follow that the use of components like fly ashes or wood ashes protect the environment. The newest investigations carried out at the University of Stuttgart have clearly shown that the use of wood ashes with appropriate pre-treatment in concrete has a positive effect. German-wide, there are hundreds of tons of wood ashes, which can be used in a wide range of construction materials. The strengths of the concrete with different types of cement and with wood ashes have given the same or, in some cases, better results than those with the use of fly ashes. There are many areas in building construction, where the clays of wood ashes can be used as a by-product. This does not only require a strength test but also, for example, an examination of structural-physical parameters. Especially the heat and moisture characteristics have an important role in times of energy-efficient construction. These are therefore determined and then compared with the characteristics of the concretes with fly ashes. The University of Stuttgart has decided to investigate the buildings' physical properties of different types of concrete with wood ashes to find their application in construction. After the examination of the buildings' physical properties in combination with strength tests, it is possible to determine in which field of civil engineering, this type of concrete can be used.

Keywords: fly ashes, wood ashes, structural-physical parameters, UHPC

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Authors: Kanchan Yadav, Ai-Chuan Chou, Rajesh Kumar Ulaganathan, Hua-De Gao, Hsien-Ming Lee, Chien-Yuan Pan, Yit-Tsong Chen

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Optogenetics is an innovative technology now widely adopted by researchers in different fields of the biological sciences. However, due to the weak tissue penetration capability of the short wavelengths used to activate light-sensitive proteins, an invasive light guide has been used in animal studies for photoexcitation of target tissues. Upconverting nanoparticles (UCNPs), which transform near-infrared (NIR) light to short-wavelength emissions, can help address this issue. To improve optogenetic performance, we enhance the target selectivity for optogenetic controls by specifically conjugating the UCNPs with light-sensitive proteins at a molecular level, which shortens the distance as well as enhances the efficiency of energy transfer. We tagged V5 and Lumio epitopes to the extracellular N-terminal of channelrhodopsin-2 with an mCherry conjugated at the intracellular C-terminal (VL-ChR2m) and then bound NeutrAvidin-functionalized UCNPs (NAv-UCNPs) to the VL-ChR2m via a biotinylated antibody against V5 (bV5-Ab). We observed an apparent energy transfer from the excited UCNP (donor) to the bound VL-ChR2m (receptor) by measuring emission-intensity changes at the donor-receptor complex. The successful patch-clamp electrophysiological test and an intracellular Ca2+ elevation observed in the designed UCNP-ChR2 system under optogenetic manipulation confirmed the practical employment of UCNP-assisted NIR-optogenetic functionality. This work represents a significant step toward improving therapeutic optogenetics.

Keywords: Channelrhodopsin-2, near infrared, optogenetics, upconverting nanoparticles

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Authors: Dhara Shah, Chandrakant Shah

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As everyone knows, fly ash is a residual material we get upon energy production using coal. It has found numerous advantages for use in the concrete industry like improved workability, increased ultimate strength, reduced bleeding, reduced permeability, better finish and reduced heat of hydration. Types of fly ash depend on the type of coal and the coal combustion process. It is a pozzolanic material and has mainly two classes, F and C, based on the chemical composition. The fly ash used for this experimental work contains significant amount of lime and would be categorized as type F fly ash. Generally all types of fly ash have particle size less than 0.075mm. The fineness and lime content of fly ash are very important as they will affect the air content and water demand of the concrete, thereby affecting the durability and strength of the concrete. The present work has been done to optimize the use of fly ash to produce concrete with improved results and added benefits. A series of tests are carried out, analyzed and compared with concrete manufactured using only Portland cement as a binder. The present study is carried out for concrete mix with replacement of cement with different proportions of fly ash. Two concrete mixes M25 and M30 were studied with six replacements of cement with fly ash i.e. 40%, 45%, 50%, 55%, 60% and 65% for 7-day, 14-day, 28-day, 56-day and 90-day. Study focused on compressive strength, split tensile strength, modulus of elasticity and modulus of rupture of concrete. Study clearly revealed that cement replacement by any proportion of fly ash failed to achieve early strength. Replacement of 40% and 45% succeeded in achieving required flexural strength for M25 and M30 grade of concrete.

Keywords: processed fly ash, engineering properties of concrete, pozzolanic, lime content

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Authors: B. Karthik Vasan, Rachil Maliwal, Somnath Basu

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Generation of solid waste is a major problem confronting the iron and steel industry around the world. Disposal of untreated wastes is no longer a viable solution in view of the environmental regulations becoming more and more stringent, as well as an increase in community awareness about the long-term hazards of indiscriminate waste disposal. The current work explores the possibility of converting some of the ‘problematic’ solid wastes generated during steel manufacturing operations, viz. dust from primary steelmaking, iron ore handling, and flux calcination processes, into value-added products instead of environmentally hazardous disposal practices. It was possible to develop a synthetic calcium ferrite, which helped to enhance the dissolution of calcined basic fluxes (e.g. CaO) and reduce the overall energy consumption during steel making. This, in turn, increased process efficiency and reduced greenhouse gas emissions. The preliminary results from laboratory-scale experiments clearly demonstrate the potential of utilizing these ‘waste materials’ that are generated in-house in iron and steel manufacturing plants. The energy required for synthesis of the ferrite may be reduced further by partially utilizing the waste heat from the exhaust gases. In the longer run, it would result in significant financial benefits due to reduced dependence on purchased fluxes. The synthesized ferrite is non-hygroscopic and this provides an additional benefit during its storage and transportation, relative to calcined lime (CaO) that is widely used as a basic flux across the steel making industry.

Keywords: calcium ferrite, flux, slag formation, solid waste

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Authors: Akeel A. Shah, Tong Zhang

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Computational approaches to learning the properties of materials are commonplace, motivated by the need to screen or design materials for a given application, e.g., semiconductors and energy storage. Experimental approaches can be both time consuming and costly. Unfortunately, computational approaches such as ab-initio electronic structure calculations and classical or ab-initio molecular dynamics are themselves can be too slow for the rapid evaluation of materials, often involving thousands to hundreds of thousands of candidates. Machine learning assisted approaches have been developed to overcome the time limitations of purely physics-based approaches. These approaches, on the other hand, require large volumes of data for training (hundreds of thousands on many standard data sets such as QM7b). This means that they are limited by how quickly such a large data set of physics-based simulations can be established. At high fidelity, such as configuration interaction, composite methods such as G4, and coupled cluster theory, gathering such a large data set can become infeasible, which can compromise the accuracy of the predictions - many applications require high accuracy, for example band structures and energy levels in semiconductor materials and the energetics of charge transfer in energy storage materials. In order to circumvent this problem, multi-fidelity approaches can be adopted, for example the Δ-ML method, which learns a high-fidelity output from a low-fidelity result such as Hartree-Fock or density functional theory (DFT). The general strategy is to learn a map between the low and high fidelity outputs, so that the high-fidelity output is obtained a simple sum of the physics-based low-fidelity and correction, Although this requires a low-fidelity calculation, it typically requires far fewer high-fidelity results to learn the correction map, and furthermore, the low-fidelity result, such as Hartree-Fock or semi-empirical ZINDO, is typically quick to obtain, For high-fidelity outputs the result can be an order of magnitude or more in speed up. In this work, a new multi-fidelity approach is developed, based on a graph convolutional network (GCN) combined with semi-supervised learning. The GCN allows for the material or molecule to be represented as a graph, which is known to improve accuracy, for example SchNet and MEGNET. The graph incorporates information regarding the numbers of, types and properties of atoms; the types of bonds; and bond angles. They key to the accuracy in multi-fidelity methods, however, is the incorporation of low-fidelity output to learn the high-fidelity equivalent, in this case by learning their difference. Semi-supervised learning is employed to allow for different numbers of low and high-fidelity training points, by using an additional GCN-based low-fidelity map to predict high fidelity outputs. It is shown on 4 different data sets that a significant (at least one order of magnitude) increase in accuracy is obtained, using one to two orders of magnitude fewer low and high fidelity training points. One of the data sets is developed in this work, pertaining to 1000 simulations of quinone molecules (up to 24 atoms) at 5 different levels of fidelity, furnishing the energy, dipole moment and HOMO/LUMO.

Keywords: .materials screening, computational materials, machine learning, multi-fidelity, graph convolutional network, semi-supervised learning

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Authors: Qaisar Ali, Waqar A. Khan, Shafiq R. Qureshi

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Heat transfer in Power Law Fluids across cylindrical surfaces has copious engineering applications. These applications comprises of areas such as underwater pollution, bio medical engineering, filtration systems, chemical, petroleum, polymer, food processing, recovery of geothermal energy, crude oil extraction, pharmaceutical and thermal energy storage. The quantum of research work with diversified conditions to study the effects of combined heat transfer and fluid flow across porous media has increased considerably over last few decades. The most non-Newtonian fluids of practical interest are highly viscous and therefore are often processed in the laminar flow regime. Several studies have been performed to investigate the effects of free and mixed convection in Newtonian fluids along vertical and horizontal cylinder embedded in a saturated porous medium, whereas very few analysis have been performed on Power law fluids along wedge. In this study, boundary layer analysis under the effects of radiation-mixed convection in power law fluids along vertical wedge in porous medium have been investigated using an implicit finite difference method (Keller box method). Steady, 2-D laminar flow has been considered under prescribed surface heat flux condition. Darcy, Boussinesq and Roseland approximations are assumed to be valid. Neglecting viscous dissipation effects and the radiate heat flux in the flow direction, the boundary layer equations governing mixed convection flow over a vertical wedge are transformed into dimensionless form. The single mathematical model represents the case for vertical wedge, cone and plate by introducing the geometry parameter. Both similar and Non- similar solutions have been obtained and results for Non similar case have been presented/ plotted. Effects of radiation parameter, variable heat flux parameter, wedge angle parameter ‘m’ and mixed convection parameter have been studied for both Newtonian and Non-Newtonian fluids. The results are also compared with the available data for the analysis of heat transfer in the prescribed range of parameters and found in good agreement. Results for the details of dimensionless local Nusselt number, temperature and velocity fields have also been presented for both Newtonian and Non-Newtonian fluids. Analysis of data revealed that as the radiation parameter or wedge angle is increased, the Nusselt number decreases whereas it increases with increase in the value of heat flux parameter at a given value of mixed convection parameter. Also, it is observed that as viscosity increases, the skin friction co-efficient increases which tends to reduce the velocity. Moreover, pseudo plastic fluids are more heat conductive than Newtonian and dilatant fluids respectively. All fluids behave identically in pure forced convection domain.

Keywords: porous medium, power law fluids, surface heat flux, vertical wedge

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Authors: Michal Pravenec, Miroslava Simakova, Jan Silhavy

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Brown adipose tissue (BAT) plays an important role in lipid and glucose metabolism in rodents and possibly also in humans. Recently, using systems genetics approach in the BAT from BXH/HXB recombinant inbred strains, derived from the SHR (spontaneously hypertensive rat) and BN (Brown Norway) progenitors, we identified Cd36 (fatty acid translocase) as the hub gene of co-expression module associated with BAT relative weight and function. An important aspect of BAT biology is to better understand the mechanisms regulating the uptake and utilization of fatty acids and glucose. Accordingly, BAT function in the SHR that harbors mutant nonfunctional Cd36 variant (hereafter referred to as SHR-Cd36⁻/⁻) was compared with SHR transgenic line expressing wild type Cd36 under control of a universal promoter (hereafter referred to as SHR-Cd36⁺/⁺). BAT was incubated in media containing insulin and 14C-U-glucose alone or 14C-U-glucose together with palmitate. Incorporation of glucose into BAT lipids was significantly higher in SHR-Cd36⁺/⁺ versus SHR-Cd36⁻/⁻ rats when incubation media contained glucose alone (SHR-Cd36⁻/⁻ 591 ± 75 vs. SHR-Cd36⁺/⁺ 1036 ± 135 nmol/gl./2h; P < 0.005). Adding palmitate into incubation media had no effect in SHR-Cd36⁻/⁻ rats but significantly reduced glucose incorporation into BAT lipids in SHR-Cd36⁺/⁺ (SHR-Cd36⁻/⁻ 543 ± 55 vs. SHR-Cd36⁺/⁺ 766 ± 75 nmol/gl./2h; P < 0.05 denotes significant Cd36 x palmitate interaction determined by two-way ANOVA). This Cd36-dependent reduced glucose uptake in SHR-Cd36⁺/⁺ BAT was likely secondary to increased palmitate incorporation and utilization due to the presence of wild type Cd36 fatty acid translocase in transgenic rats. This possibility is supported by increased incorporation of 14C-U-palmitate into BAT lipids in the presence of both palmitate and glucose in incubation media (palmitate alone: SHR-Cd36⁻/⁻ 870 ± 21 vs. SHR-Cd36⁺/⁺ 899 ± 42; glucose+palmitate: SHR-Cd36⁻/⁻ 899 ± 47 vs. SHR-Cd36⁺/⁺ 1460 ± 111 nmol/palm./2h; P < 0.05 denotes significant Cd36 x glucose interaction determined by two-way ANOVA). It is possible that addition of glucose into the incubation media increased palmitate incorporation into BAT lipids in SHR-Cd36⁺/⁺ rats because of glucose availability for glycerol phosphate production and increased triglyceride synthesis. These changes in glucose and palmitate incorporation into BAT lipids were associated with significant differential expression of Irs1, Irs2, Slc2a4 and Foxo1 genes involved in insulin signaling and glucose metabolism only in SHR-Cd36⁺/⁺ rats which suggests Cd36-dependent effects on insulin action. In conclusion, these results provide compelling evidence that Cd36 plays an important role in BAT insulin signaling and energy substrate utilization.

Keywords: brown adipose tissue, Cd36, energy substrate utilization, insulin signaling, spontaneously hypertensive rat

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Authors: Jovana Jankovic Pantic, Dragoslav Rakic, Tina Djuric, Irena Basaric Ikodinovic, Snezana Bogdanovic

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Regardless of the numerous activities undertaken to reduce municipal solid waste, its annual volumes continue to grow. In Serbia, the most common and the only one form of waste disposal is at municipal landfills with daily compaction and soil covering. Municipal waste compacting is one of the basic components of the disposal process. Well compacted waste takes up less volume and allows much safer storage. In order to better predict the behavior of municipal waste at landfills, it is necessary to define compaction parameters: the maximum dry unit weight and optimal moisture content. In current geotechnical practice, the most common method of determination compaction parameters is by the standard method (Proctor compaction test) used in soil mechanics, with an eventual reduction of compaction energy. Although this methodology is accepted in newer geotechnical scientific discipline "waste mechanics", different treatments of municipal waste at the landfill itself (including pretreatment), indicate the need to change this classical approach. The main reason for that is the simulation of the operation of compactors (hedgehogs) at the landfill. Therefore, during the research, various innovative solutions are introduced, such as changing the classic flat Proctor hammer, by adding spikes, whose function is, in addition to compaction, destruction and shredding of municipal waste. The paper presents the behavior of municipal waste for four synthetic waste samples with different waste compositions (Plandište landfill). The samples were tested in standard Proctor apparatus at the same compaction energy, but with two different hammers: standard flat hammer and hammer with spikes.

Keywords: compaction, hammer with spikes, landfill, municipal solid waste, proctor compaction test

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Authors: Halima Djaaboube, Redha Aouati, Ibtissem Loucif, Yassine Bouachiba, Mouad Chettab, Adel Taabouche, Sihem Abed, Salima Ouendadji, Abderrahmane Bouabellou

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Thin films of pure and barium-doped zinc oxide (ZnO) were prepared using spray pyrolysis process. The films were deposited on glass substrates at 450°C. The different samples are characterized by X-ray diffraction (XRD) and UV-Vis spectroscopy. X-ray diffraction patterns reveal the formation of a single ZnO Wurtzite structure and the good crystallinity of the films. The substitution of Ba ions influences the texture of the layers and makes the (002) plane a preferential growth plane. At concentrations below 6% Ba, the hexagonal structure of ZnO undergoes compressive stresses due to barium ions which have a radius twice of the Zn ions. This result leads to the decrees of a and c parameters and therefore the volume of the unit cell. This result is confirmed by the decrease in the number of crystallites and the increase in the size of the crystallites. At concentrations above 6%, barium substitutes the zinc atom and modifies the structural parameters of the thin layers. The bandgap of ZnO films decreased with increasing doping, this decrease is probably due to the 4d orbitals of the Ba atom due to the sp-d spin-exchange interactions between the band electrons and the localized d-electrons of the substituted Ba ion. Although, the Urbache energy undergoes an increase which implies the creation of energy levels below the conduction band and decreases the band gap width. The photocatalytic activity of ZnO doped 9% Ba was evaluated by the photodegradation of methylene blue under UV irradiation.

Keywords: barium, doping, photodegradation, spray pyrolysis, ZnO.

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Authors: S. Divya, M. Jose

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Over the past years, industrial dyes have emerged as a significant threat to aquatic life, extensively detected in drinking water and groundwater, thus contributing to water pollution due to their improper and excessive use. To address this issue, the utilization of core-shell structures has been prioritized as it demonstrates remarkable efficiency in utilizing light energy for catalytic reactions and exhibiting excellent photocatalytic activity despite the availability of various photocatalysts. This work focuses on the photocatalytic degradation of Nd₂O₃@SiO₂ CSNs under UV light irradiation against MB and RhB dyes. Different characterization techniques, including XRD, FTIR, and TEM analyses, were employed to reveal the material's structure, functional groups, and morphological features. VSM and XPS analyses confirmed the soft, paramagnetic nature and chemical states with respective atomic percentages, respectively. Optical band gaps, determined using the Tauc plot model, indicated 4.24 eV and 4.13 eV for Nd₂O₃ NPs and Nd₂O₃@SiO₂ CSNs, respectively. The reduced bandgap energy of Nd₂O₃@SiO₂ CSNs enhances light absorption in the UV range, potentially leading to improved photocatalytic efficiency. The Nd₂O₃@SiO₂ CSNs exhibited greater degradation efficiency, reaching 95% and 96% against MB and RhB dyes, while Nd₂O₃ NPs showed 90% and 92%, respectively. The enhanced efficiency of Nd₂O₃@SiO₂ CSNs can be attributed to the larger specific surface area provided by the SiO₂ shell, as confirmed by surface area analysis using the BET surface area analyzer through N₂ adsorption-desorption.

Keywords: core shell nanocomposites, rare earth oxides, photocatalysis, advanced oxidation process

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