Search results for: green innovation
894 Metal-Based Deep Eutectic Solvents for Extractive Desulfurization of Fuels: Analysis from Molecular Dynamics Simulations
Authors: Aibek Kukpayev, Dhawal Shah
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Combustion of sour fuels containing high amount of sulfur leads to the formation of sulfur oxides, which adversely harm the environment and has a negative impact on human health. Considering this, several legislations have been imposed to bring down the sulfur content in fuel to less than 10 ppm. In recent years, novel deep eutectic solvents (DESs) have been developed to achieve deep desulfurization, particularly to extract thiophenic compounds from liquid fuels. These novel DESs, considered as analogous to ionic liquids are green, eco-friendly, inexpensive, and sustainable. We herein, using molecular dynamic simulation, analyze the interactions of metal-based DESs with model oil consisting of thiophenic compounds. The DES used consists of polyethylene glycol (PEG-200) as a hydrogen bond donor, choline chloride (ChCl) or tetrabutyl ammonium chloride (TBAC) as a hydrogen bond acceptor, and cobalt chloride (CoCl₂) as metal salt. In particular, the combination of ChCl: PEG-200:CoCl₂ at a ratio 1:2:1 and the combination of TBAC:PEG-200:CoCl₂ at a ratio 1:2:0.25 were simulated, separately, with model oil consisting of octane and thiophenes at 25ᵒC and 1 bar. The results of molecular dynamics simulations were analyzed in terms of interaction energies between different components. The simulations revealed a stronger interaction between DESs/thiophenes as compared with octane/thiophenes, suggestive of an efficient desulfurization process. In addition, our analysis suggests that the choice of hydrogen bond acceptor strongly influences the efficiency of the desulfurization process. Taken together, the results also show the importance of the metal ion, although present in small amount, in the process, and the role of the polymer in desulfurization of the model fuel.Keywords: deep eutectic solvents, desulfurization, molecular dynamics simulations, thiophenes
Procedia PDF Downloads 146893 Marine Fishing and Climate Change: A China’s Perspective on Fisheries Economic Development and Greenhouse Gas Emissions
Authors: Yidan Xu, Pim Martens, Thomas Krafft
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Marine fishing, an energy-intensive activity, directly emits greenhouse gases through fuel combustion, making it a significant contributor to oceanic greenhouse gas (GHG) emissions and worsening climate change. China is the world’s second-largest economy and the top emitter of GHG emissions, and it carries a significant energy conservation and emission reduction burden. However, the increasing GHG emissions from marine fishing is an easily overlooked but essential issue in China. This study offers a diverse perspective by integrating the concepts of total carbon emissions, carbon intensity, and per capita carbon emissions as indicators into calculation and discussion. To better understand the GHG emissions-Gross marine fishery product (GFP) relationship and influencing factors in Chinese marine fishing, the relationship between GHG emissions and economic development in marine fishing, a comprehensive framework is developed by combining the environmental Kuznets curve, the Tapio elasticity index, and the decomposition model. Results indicated that (1) The GHG emissions increased from 16.479 to 18.601 million tons in 2001-2020, in which trawlers and gillnetter are the main source in fishing operation. (2) Total carbon emissions (TC) and CI presented the same decline as GHG emissions, while per capita carbon emissions (PC) displayed an uptrend. (32) GHG emissions and gross marine fishery product (GFP) presented an inverted U-shaped relationship in China; the turning point came in the 13th Five-year Plan period (2016-2020). (43) Most provinces strongly decoupled GFP and CI. Still, PC and TC need more effort to decouple. (54) GHG emissions promoted by an industry structure driven, though carbon intensity and industry scale aid in GHG emissions reduced. (5) Compare with TC and PC, CI has been relatively affected by COVID-19 in 2020. The rise in fish and seafood prices during COVID-19 has boosted the GFP.Keywords: marine fishing economy, greenhouse gas emission, fishery management, green development
Procedia PDF Downloads 68892 Studies of Carbohydrate, Antioxidant, Nutrient and Genomic DNA Characterization of Fresh Olive Treated with Alkaline and Acidic Solvent: An Innovation
Authors: A. B. M. S. Hossain, A. Abdelgadir, N. A. Ibrahim
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Fresh ripen olive cannot be consumed immediately after harvest due to the excessive bitterness having polyphenol as antioxidant. Industrial processing needs to be edible the fruit. The laboratory processing technique has been used to make it edible by using acid (vinegar, 5% acetic acid) and alkaline solvent (NaOH). Based on the treatment and consequence, innovative data have been found in this regard. The experiment was conducted to investigate biochemical content, nutritional and DNA characterization of olive fruit treated with alkaline (Sodium chloride anhydrous) and acidic solvent (5% acetic acid, vinegar). The treatments were used as control (no water), water control, 10% sodium chloride anhydrous (NaOH), vinegar (5% acetic acid), vinegar + NaOH and vinegar + NaOH + hot water treatment. Our results showed that inverted sugar and glucose content were higher in the vinegar and NaOH treated olive than in other treatments. Fructose content was the highest in vinegar + NaOH treated fruit. Nutrient contents NO3 K, Ca and Na were found higher in the treated fruit than the control fruit. Moreover, maximum K content was observed in the case of all treatments compared to the other nutrient content. The highest acidic (lower pH) condition (sour) was found in treated fruit. DNA yield was found higher in water control than acid and alkaline treated olives. DNA band was wider in the olive treated water control compared to the NaOH, vinegar, vinegar + NaOH and vinegar + NaOH + Hot water treatment. Finally, results suggest that vinegar + NaOH treated olive fruit was the best for fresh olive homemade processing after harvesting for edible purpose.Keywords: olive, vinegar, sugars, DNA band, bioprocess biotechnology
Procedia PDF Downloads 185891 Design, Synthesis and Pharmacological Investigation of Novel 2-Phenazinamine Derivatives as a Mutant BCR-ABL (T315I) Inhibitor
Authors: Gajanan M. Sonwane
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Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine
Procedia PDF Downloads 116890 Promises versus Realities: A Critical Assessment of the Integrated Design Process
Authors: Firdous Nizar, Carmela Cucuzzella
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This paper explores how the integrated design process (IDP) was adopted for an architectural project. The IDP is a relatively new approach to collaborative design in architectural design projects in Canada. It has gained much traction recently as the closest possible approach to the successful management of low energy building projects and has been advocated as a productive method for multi-disciplinary collaboration within complex projects. This study is based on the premise that there are explicit and implicit dimensions of power within the integrated design process (IDP) in the green building industry that may or may not lead to irreconcilable differences in a process that demands consensus. To gain insight on the potential gap between the theoretical promises and practical realities of the IDP, a review of existing IDP literature is compared with a case study analysis of a competition-based architectural project in Canada, a first to incorporate the IDP in its overall design format. This paper aims to address the undertheorized power relations of the IDP in a real project. It presents a critical assessment through the lens of the combined theories of deliberative democracy by Jürgen Habermas, with that of agonistic pluralism by political theorist Chantal Mouffe. These two theories are intended to more appropriately embrace the conflictual situations in collaborative environments, and shed light on the relationships of power, between engineers, city officials, architects, and designers in this conventional consensus-based model. In addition, propositions for a shift in approach that embraces conflictual differences among its participants are put forth based on concepts of critical spatial practice by Markus Meissen. As IDP is a relatively new design process, it requires much deliberation on its structure from the theoretical framework built in this paper in order to unlock its true potential.Keywords: agonistic pluralism, critical spatial practice, deliberative democracy, integrated design process
Procedia PDF Downloads 173889 Role of Energy Storage in Renewable Electricity Systems in The Gird of Ethiopia
Authors: Dawit Abay Tesfamariam
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Ethiopia’s Climate- Resilient Green Economy (ECRGE) strategy focuses mainly on generating and proper utilization of renewable energy (RE). Nonetheless, the current electricity generation of the country is dominated by hydropower. The data collected in 2016 by Ethiopian Electric Power (EEP) indicates that the intermittent RE sources from solar and wind energy were only 8 %. On the other hand, the EEP electricity generation plan in 2030 indicates that 36.1 % of the energy generation share will be covered by solar and wind sources. Thus, a case study was initiated to model and compute the balance and consumption of electricity in three different scenarios: 2016, 2025, and 2030 using the EnergyPLAN Model (EPM). Initially, the model was validated using the 2016 annual power-generated data to conduct the EnergyPLAN (EP) analysis for two predictive scenarios. The EP simulation analysis using EPM for 2016 showed that there was no significant excess power generated. Thus, the EPM was applied to analyze the role of energy storage in RE in Ethiopian grid systems. The results of the EP simulation analysis showed there will be excess production of 402 /7963 MW average and maximum, respectively, in 2025. The excess power was in the three rainy months of the year (June, July, and August). The outcome of the model also showed that in the dry seasons of the year, there would be excess power production in the country. Consequently, based on the validated outcomes of EP indicates, there is a good reason to think about other alternatives for the utilization of excess energy and storage of RE. Thus, from the scenarios and model results obtained, it is realistic to infer that if the excess power is utilized with a storage system, it can stabilize the grid system and be exported to support the economy. Therefore, researchers must continue to upgrade the current and upcoming storage system to synchronize with potentials that can be generated from renewable energy.Keywords: renewable energy, power, storage, wind, energy plan
Procedia PDF Downloads 77888 Development of Broad Spectrum Nitrilase Biocatalysts and Bioprocesses for Nitrile Biotransformation
Authors: Avinash Vellore Sunder, Shikha Shah, Pramod P. Wangikar
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The enzymatic conversion of nitriles to carboxylic acids by nitrilases has gained significance in the green synthesis of several pharmaceutical precursors and fine chemicals. While nitrilases have been characterized from different sources, the industrial application requires the identification of nitrilases that possess higher substrate tolerance, wider specificity and better thermostability, along with the development of an efficient bioprocess for producing large amounts of nitrilase. To produce large amounts of nitrilase, we developed a fed-batch fermentation process on defined media for the high cell density cultivation of E. coli cells expressing the well-studied nitrilase from Alcaligenes fecalis. A DO-stat feeding approach was employed combined with an optimized post-induction strategy to achieve nitrilase titer of 2.5*105 U/l and 78 g/l dry cell weight. We also identified 16 novel nitrilase sequences from genome mining and analysis of substrate binding residues. The nitrilases were expressed in E. coli and their biocatalytic potential was evaluated on a panel of 22 industrially relevant nitrile substrates using high-throughput screening and HPLC analysis. Nine nitrilases were identified to exhibit high activity on structurally diverse nitriles including aliphatic and aromatic dinitriles, heterocyclic, -hydroxy and -keto nitriles. With fed-batch biotransformation, whole-cell Zobelia galactanivorans nitrilase achieved yields of 2.4 M nicotinic acid and 1.8 M isonicotinic acid from 3-cyanopyridine and 4-cyanopyridine respectively within 5 h, while Cupravidus necator nitrilase enantioselectively converted 740 mM mandelonitrile to (R)–mandelic acid. The nitrilase from Achromobacter insolitus could hydrolyze 542 mM iminodiacetonitrile in 1 h. The availability of highly active nitrilases along with bioprocesses for enzyme production expands the toolbox for industrial biocatalysis.Keywords: biocatalysis, isonicotinic acid, iminodiacetic acid, mandelic acid, nitrilase
Procedia PDF Downloads 234887 Mixed Tetravalent Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) Based Vacancy-Ordered Halide Double Perovskites for Enhanced Solar Water Oxidation
Authors: Jigar Shaileshumar Halpati, Aravind Kumar Chandiran
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Vacancy ordered double perovskites (VOPs) have been significantly attracting researchers due to their chemical structure diversity and interesting optoelectronic properties. Some VOPs have been recently reported to be suitable photoelectrodes for photoelectrochemical water-splitting reactions due to their high stability and panchromatic absorption. In this work, we systematically synthesized mixed tetravalent VOPs based on Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) and reported their structural, optical, electrochemical and photoelectrochemical properties. The structural characterization confirms that the mixed tetravalent site intermediates formed their own phases. The parent materials, as well as their intermediates, were found to be stable in ambient conditions for over 1 year and also showed incredible stability in harsh pH media ranging from pH 1 to pH 11. Moreover, these materials showed panchromatic absorption with onset up to 1000 nm depending upon the mixture stoichiometry. The extraordinary stability and excellent absorption properties make them suitable materials for photoelectrochemical water-splitting applications. PEC studies of these series of materials showed a high water oxidation photocurrent of 0.56 mA cm-² for Cs₂Ru₀.₅Pt₀.₅Cl₆. Fundamental investigation from photoelectrochemical reactions revealed that the intrinsic ruthenium-based VOP showed enhanced hole transfer to the electrolyte, while the intrinsic platinum-based VOP showed higher photovoltage. The mix of these end members at the tetravalent site showed a synergic effect of reduced charge transfer resistance from the material to the electrolyte and increased photovoltage, which led to increased PEC performance of the intermediate materials.Keywords: solar water splitting, photo electrochemistry, photo absorbers, material characterization, device characterization, green hydrogen
Procedia PDF Downloads 75886 Biostimulant and Abiotic Plant Stress Interactions in Malting Barley: A Glasshouse Study
Authors: Conor Blunt, Mariluz del Pino-de Elias, Grace Cott, Saoirse Tracy, Rainer Melzer
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The European Green Deal announced in 2021 details agricultural chemical pesticide use and synthetic fertilizer application to be reduced by 50% and 20% by 2030. Increasing and maintaining expected yields under these ambitious goals has strained the agricultural sector. This intergovernmental plan has identified plant biostimulants as one potential input to facilitate this new phase of sustainable agriculture; these products are defined as microorganisms or substances that can stimulate soil and plant functioning to enhance crop nutrient use efficiency, quality and tolerance to abiotic stresses. Spring barley is Ireland’s most widely sown tillage crop, and grain destined for malting commands the most significant market price. Heavy erratic rainfall is forecasted in Ireland’s climate future, and barley is particularly susceptible to waterlogging. Recent findings suggest that plant receptivity to biostimulants may depend on the level of stress inflicted on crops to elicit an assisted plant response. In this study, three biostimulants of different genesis (seaweed, protein hydrolysate and bacteria) are applied to ‘RGT Planet’ malting barley fertilized at three different rates (0 kg/ha, 40 kg/ha, 75 kg/ha) of calcium ammonium nitrogen (27% N) under non-stressed and waterlogged conditions. This 4x3x2 factorial trial design was planted in a completed randomized block with one plant per experimental unit. Leaf gas exchange data and key agronomic and grain quality parameters were analyzed via ANOVA. No penalty on productivity was evident on plants receiving 40 kg/ha of N and bio stimulant compared to 75 kg/ha of N treatments. The main effects of nitrogen application and waterlogging provided the most significant variation in the dataset.Keywords: biostimulant, Barley, malting, NUE, waterlogging
Procedia PDF Downloads 76885 Development of Highly Repellent Silica Nanoparticles Treatment for Protection of Bio-Based Insulation Composite Material
Authors: Nadia Sid, Alan Taylor, Marion Bourebrab
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The construction sector is on the critical path to decarbonise the European economy by 2050. In order to achieve this objective it must enable reducing its CO2 emission by 90% and its energy consumption by as much as 50%. For this reason, a new class of low environmental impact construction materials named “eco-material” are becoming increasingly important in the struggle against climate change. A European funded collaborative project ISOBIO coordinated by TWI is aimed at taking a radical approach to the use of bio-based aggregates to create novel construction materials that are usable in high volume in using traditional methods, as well as developing markets such as exterior insulation of existing house stocks. The approach taken for this project is to use finely chopped material protected from bio-degradation through the use of functionalized silica nanoparticles. TWI is exploring the development of novel inorganic-organic hybrid nano-materials, to be applied as a surface treatment onto bio-based aggregates. These nanoparticles are synthesized by sol-gel processing and then functionalised with silanes to impart multifunctionality e.g. hydrophobicity, fire resistance and chemical bonding between the silica nanoparticles and the bio-based aggregates. This talk will illustrate the approach taken by TWI to design the functionalized silica nanoparticles by using a material-by-design approach. The formulation and synthesize process will be presented together with the challenges addressed by those hybrid nano-materials. The results obtained with regards to the water repellence and fire resistance will be displayed together with preliminary public results of the ISOBIO project. (This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 641927).Keywords: bio-sourced material, composite material, durable insulation panel, water repellent material
Procedia PDF Downloads 237884 A Flexible Real-Time Eco-Drive Strategy for Electric Minibus
Authors: Felice De Luca, Vincenzo Galdi, Piera Stella, Vito Calderaro, Adriano Campagna, Antonio Piccolo
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Sustainable mobility has become one of the major issues of recent years. The challenge in reducing polluting emissions as much as possible has led to the production and diffusion of vehicles with internal combustion engines that are less polluting and to the adoption of green energy vectors, such as vehicles powered by natural gas or LPG and, more recently, with hybrid and electric ones. While on the one hand, the spread of electric vehicles for private use is becoming a reality, albeit rather slowly, not the same is happening for vehicles used for public transport, especially those that operate in the congested areas of the cities. Even if the first electric buses are increasingly being offered on the market, it remains central to the problem of autonomy for battery fed vehicles with high daily routes and little time available for recharging. In fact, at present, solid-state batteries are still too large in size, heavy, and unable to guarantee the required autonomy. Therefore, in order to maximize the energy management on the vehicle, the optimization of driving profiles offer a faster and cheaper contribution to improve vehicle autonomy. In this paper, following the authors’ precedent works on electric vehicles in public transport and energy management strategies in the electric mobility area, an eco-driving strategy for electric bus is presented and validated. Particularly, the characteristics of the prototype bus are described, and a general-purpose eco-drive methodology is briefly presented. The model is firstly simulated in MATLAB™ and then implemented on a mobile device installed on-board of a prototype bus developed by the authors in a previous research project. The solution implemented furnishes the bus-driver suggestions on the guide style to adopt. The result of the test in a real case will be shown to highlight the effectiveness of the solution proposed in terms of energy saving.Keywords: eco-drive, electric bus, energy management, prototype
Procedia PDF Downloads 142883 Bioreactor Simulator Design: Measuring Built Environment Health and Ecological Implications from Post-Consumer Textiles
Authors: Julia DeVoy, Olivia Berlin
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The United States exports over 1.6 billion pounds of post-consumer textiles every year, primarily to countries in the Global South. These textiles make their way to landfills and open-air dumps where they decompose, contaminating water systems and releasing harmful greenhouse gases. Through this inequitable system of waste disposal, countries with less political and economic power are coerced into accepting the environmental and health consequences of over-consumption in the Global North. Thus, the global trade of post-consumer textile waste represents a serious issue of environmental justice and a public health hazard. Our research located, characterizes, and quantifies the environmental and human health risks that occur when post-consumer textiles are left to decompose in landfills and open-air dumps in the Global South. In our work, we make use of United Nations International Trade Statistics data to map the global distribution of post-consumer textiles exported from the United States. Next, we present our landfill simulating reactor designed to measure toxicity of leachate resulting from the decomposition of textiles in developing countries and to quantify the related greenhouse gas emissions. This design makes use of low-cost and sustainable materials to promote frugal innovation and make landfill reactors more accessible. Finally, we describe how the data generated from these tools can be leveraged to inform individual consumer behaviors, local policies around textile waste disposal, and global advocacy efforts to mitigate the environmental harms caused by textile waste.Keywords: sustainability, textile design, public health, built environment
Procedia PDF Downloads 129882 Co-Operation in Hungarian Agriculture
Authors: Eszter Hamza
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The competitiveness of economic operators is based on interoperability, which is relatively low in Hungary. The development of co-operation is high priority in Common Agricultural Policy 2014-2020. The aim of the paper to assess co-operations in Hungarian agriculture, estimate the economic outputs and benefits of co-operations, based on statistical data processing and literature. Further objective is to explore the potential of agricultural co-operation with the help of interviews and questionnaire survey. The research seeks to answer questions as to what fundamental factors play role in the development of co-operation, and what are the motivations of the actors and the key success factors and pitfalls. The results were analysed using econometric methods. In Hungarian agriculture we can find several forms of co-operation: cooperatives, producer groups (PG) and producer organizations (PO), machinery cooperatives, integrator companies, product boards and interbranch organisations. Despite the several appearance of the agricultural co-operation, their economic weight is significantly lower in Hungary than in western European countries. Considering the agricultural importance, the integrator companies represent the most weight among the co-operations forms. Hungarian farmers linked to co-operations or organizations mostly in relation to procurement and sales. Less than 30 percent of surveyed farmers are members of a producer organization or cooperative. The trust level is low among farmers. The main obstacle to the development of formalized co-operation, is producers' risk aversion and the black economy in agriculture. Producers often prefer informal co-operation instead of long-term contractual relationships. The Hungarian agricultural co-operations are characterized by non-dynamic development, but slow qualitative change. For the future, one breakout point could be the association of producer groups and organizations, which in addition to the benefits of market concentration, in the dissemination of knowledge, advisory network operation and innovation can act more effectively.Keywords: agriculture, co-operation, producer organisation, trust level
Procedia PDF Downloads 394881 The LNG Paradox: The Role of Gas in the Energy Transition
Authors: Ira Joseph
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The LNG paradox addresses the issue of how the most expensive form of gas supply, which is LNG, will grow in an end user market where demand is most competitive, which is power generation. In this case, LNG demand growth is under siege from two entirely different directions. At one end is price; it will be extremely difficult for gas to replace coal in Asia due to the low price of coal and the age of the generation plants. Asia's coal fleet, on average, is less than two decades old and will need significant financial incentives to retire before its state lifespan. While gas would cut emissions in half relative to coal, it would also more than double the price of the fuel source for power generation, which puts it in a precarious position. In most countries in Asia other than China, this cost increase, particularly from imports, is simply not realistic when it is also necessary to focus on economic growth and social welfare. On the other end, renewables are growing at an exponential rate for three reasons. One is that prices are dropping. Two is that policy incentives are driving deployment, and three is that China is forcing renewables infrastructure into the market to take a political seat at the global energy table with Saudi Arabia, the US, and Russia. Plus, more renewables will lower import growth of oil and gas in China, if not end it altogether. Renewables are the predator at the gate of gas demand in power generation and in every year that passes, renewables cut into demand growth projections for gas; in particular, the type of gas that is most expensive, which is LNG. Gas does have a role in the future, particularly within a domestic market. Once it crosses borders in the form of LNG or even pipeline gas, it quickly becomes a premium fuel and must be marketed and used this way. Our research shows that gas will be able to compete with batteries as an intermittency and storage tool and does offer a method to harmonize with renewables as part of the energy transition. As a baseload fuel, however, the role of gas, particularly, will be limited by cost once it needs to cross a border. Gas converted into blue or green hydrogen or ammonia is also an option for storage depending on the location. While this role is much reduced from the primary baseload role that gas once aspired to land, it still offers a credible option for decades to come.Keywords: natural gas, LNG, demand, price, intermittency, storage, renewables
Procedia PDF Downloads 61880 Optimizing University Administration in a Globalized World: Leveraging AI and ICT for Enhanced Governance and Sustainability in Higher Education
Authors: Ikechukwu Ogeze Ukeje, Chinyere Ori Elom, Chukwudum Collins Umoke
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This study explores the challenges in the integration of Artificial Intelligence (AI) and Information and Communication Technology (ICT) practices in enhancing governance and sustainable solution modeling in higher education, focusing on Alex Ekwueme Federal University Ndufu-Alike (AE-FUNAI), Nigeria. In the context of a developing country like Nigeria, leveraging AI and ICT tools presents a unique opportunity to improve teaching, learning, administrative processes, and governance. The research aims to evaluate how AI and ICT technologies can contribute to sustainable educational practices, enhance decision-making processes, and improve engagement among key stakeholders: students, lecturers, and administrative staff. Students are involved to provide insights into their interactions with AI and ICT tools, particularly in learning and participation in governance. Lecturers’ perspectives will offer a view into how these technologies influence teaching, research, and curriculum development. Administrative staff will provide a crucial understanding of how AI and ICT tools can streamline operations, support data-driven governance, and enhance institutional efficiency. This study will use a mixed-method approach to collect both qualitative and quantitative data. The finding of this study is geared towards shaping the future of education in Nigeria and beyond by developing an Inclusive AI-governance Integration Framework (I-AIGiF) for enhanced performance in the system. Examining the roles of these stakeholder groups, this research could guide the development of policies for more effective AI and ICT integration, leading to sustainable educational innovation and governance.Keywords: university administration, AI, higher education governance, education sustainability, ICT challenges
Procedia PDF Downloads 20879 Safety Assessment of Tuberous Roots of Boerhaavia diffusa Root Extract: Acute and Sub-Acute Toxicity Studies
Authors: Surender Singh, Yogendra Kumar Gupta
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Boerhaavia diffusa (BD) Linn. belonging to family Nyctaginaceae is a herbaceous plant and known as ‘punarnava’ in Hindi, used as herbal medicine for pain relief and various ailments. It is widely used as a green leafy vegetable in many Asian and African countries. The objective of present study was to investigate potential adverse effects, if any, of standardized root extract of Boerhaavia diffusa in rats following subchronic administration. In acute toxicity study, no mortality was found at a dose of 2000mg/kg which indicates that oral LD50 of Boerhaavia diffusa root extract is more than 2000mg/kg. The chronic administration of Boerhaavia diffusa for 28 days at a dose of 1000mg/kg body weight did not produce any significant changes in hematological (RBC, WBC, platelets, hemoglobin, bleeding time, clotting time) and biochemical (triglycerides, blood glucose, high density lipoprotein, serum creatinine, serum glutamic oxaloacetic transaminase, serum glutamic pyruvic transaminase) parameters of male and female rats as compared to normal control group. All the animals survived until the scheduled necropsy, and their physical and behavioral examinations did not reveal any treatment-related adverse effects. No pathological changes were observed in histological section of heart, kidney, liver, testis, ovaries and brain of Boerhaavia diffusa treated male and female rats as compared to normal control animals.These observations from oral acute toxicitystudy suggest that the extract is practically non-toxic. Thus, it can be inferred that the Boerhaavia diffusa root extract at levels up to 1000 mg/kg/day was found to be safe and does not cause adverse effects in rats. So, the no-observed effect level (NOAEL) of the extract was found to be 1000mg/kg/day.Keywords: Boerhaavia diffusa, histology, toxicity, sub-acute
Procedia PDF Downloads 271878 Lightweight Ceramics from Clay and Ground Corncobs
Authors: N.Quaranta, M. Caligaris, R. Varoli, A. Cristobal, M. Unsen, H. López
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Corncobs are agricultural wastes and they can be used as fuel or as raw material in different industrial processes like cement manufacture, contaminant adsorption, chemical compound synthesis, etc. The aim of this work is to characterize this waste and analyze the feasibility of its use as a pore-forming material in the manufacture of lightweight ceramics for the civil construction industry. The characterization of raw materials is carried out by using various techniques: electron diffraction analysis X-ray, differential and gravimetric thermal analyses, FTIR spectroscopy, ecotoxicity evaluation, among others. The ground corncobs, particle size less than 2 mm, are mixed with clay up to 30% in volume and shaped by uniaxial pressure of 25 MPa, with 6% humidity, in moulds of 70mm x 40mm x 18mm. Then the green bodies are heat treated at 950°C for two hours following the treatment curves used in ceramic industry. The ceramic probes are characterized by several techniques: density, porosity and water absorption, permanent volumetric variation, loss on ignition, microscopies analysis, and mechanical properties. DTA-TGA analysis of corncobs shows in the range 20°-250°C a small loss in TGA curve and exothermic peaks at 250°-500°C. FTIR spectrum of the corncobs sample shows the characteristic pattern of this kind of organic matter with stretching vibration bands of adsorbed water, methyl groups, C–O and C–C bonds, and the complex form of the cellulose and hemicellulose glycosidic bonds. The obtained ceramic bodies present external good characteristics without loose edges and adequate properties for the market requirements. The porosity values of the sintered pieces are higher than those of the reference sample without waste addition. The results generally indicate that it is possible to use corncobs as porosity former in ceramic bodies without modifying the usual sintering temperatures employed in the industry.Keywords: ceramic industry, biomass, recycling, hemicellulose glycosidic bonds
Procedia PDF Downloads 405877 Postmodern Navy to Transnational Adaptive Navy: Positive Peace with Borderless Institutional Network
Authors: Serkan Tezgel
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Effectively managing threats and power that transcend national boundaries requires a reformulation from the traditional post-modern navy to an adaptive and institutional transnational navy. By analyzing existing soft power concept, post-modern navy, and sea power, this study proposes the transnational navy, founded on the triangle of main attributes of transnational companies, 'Global Competitiveness, Local Responsiveness, Worldwide Learning and Innovation Sharing', a new model which will lead to a positive peace with an institutional network. This transnational model necessitates 'Transnational Navies' to help establish peace with collective and transnational understanding during a transition period 'Reactive Postmodern Navy' has been experiencing. In this regard, it is fairly claimed that a new paradigm shift will revolve around sea power to establish good order at sea with collective and collaborative initiatives and bound to breed new theories and ideas in the forthcoming years. However, there are obstacles to overcome. Postmodern navies, currently shaped by 'Collective Maritime Security' and 'Collective Defense' concepts, can not abandon reactive applications and acts. States deploying postmodern navies to realize their policies on international platforms and seapower structures shaped by the axis of countries’ absolute interests resulted in multipolar alliances and coalitions, but the establishment of the peace. These obstacles can be categorized into three tiers in establishing a unique transnational model navy: Strategic, Organizational and Management challenges. To overcome these obstacles and challenges, postmodern navies should transform into cooperative, collective and independent soft transnational navies with the transnational mentality, global commons, and institutional network. Such an adaptive institution can help the world navigate to a positive peace.Keywords: postmodern navy, transnational navy, transnational mentality, institutional network
Procedia PDF Downloads 519876 Measuring the Unmeasurable: A Project of High Risk Families Prediction and Management
Authors: Peifang Hsieh
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The prevention of child abuse has aroused serious concerns in Taiwan because of the disparity between the increasing amount of reported child abuse cases that doubled over the past decade and the scarcity of social workers. New Taipei city, with the most population in Taiwan and over 70% of its 4 million citizens are migrant families in which the needs of children can be easily neglected due to insufficient support from relatives and communities, sees urgency for a social support system, by preemptively identifying and outreaching high-risk families of child abuse, so as to offer timely assistance and preventive measure to safeguard the welfare of the children. Big data analysis is the inspiration. As it was clear that high-risk families of child abuse have certain characteristics in common, New Taipei city decides to consolidate detailed background information data from departments of social affairs, education, labor, and health (for example considering status of parents’ employment, health, and if they are imprisoned, fugitives or under substance abuse), to cross-reference for accurate and prompt identification of the high-risk families in need. 'The Service Center for High-Risk Families' (SCHF) was established to integrate data cross-departmentally. By utilizing the machine learning 'random forest method' to build a risk prediction model which can early detect families that may very likely to have child abuse occurrence, the SCHF marks high-risk families red, yellow, or green to indicate the urgency for intervention, so as to those families concerned can be provided timely services. The accuracy and recall rates of the above model were 80% and 65%. This prediction model can not only improve the child abuse prevention process by helping social workers differentiate the risk level of newly reported cases, which may further reduce their major workload significantly but also can be referenced for future policy-making.Keywords: child abuse, high-risk families, big data analysis, risk prediction model
Procedia PDF Downloads 135875 Use of an Insecticidal-Iridovirus Kinase towards the Development of Aphid-Resistant Plants
Authors: Saranya Ganapathy, Megha N. Parajulee, Michael San Francisco, Hong Zhang
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Insect pests are a serious threat to agricultural productivity. Use of chemical pesticides, the predominant control method thus far, has resulted in environmental damage, pest resurgence, and negative effects on non-target species. Genetically modified (GM) crops offer a promising alternative, and Bacillus thuringiensis endotoxin genes have played a major role in this respect. However, to overcome insect tolerance issues and to broaden the target range, it is critical to identify alternative-insecticidal toxins working through novel mechanisms. Our research group has identified a kinase from Chilo iridescent virus (CIV; Family Iridoviridae) that has insecticidal activity and designated it as ISTK (Iridovirus Serine/Threonine Kinase). A 35 kDa truncated form of ISTK, designated iridoptin, was obtained during expression and purification of ISTK in the yeast system. This yeast-expressed CIV toxin induced 50% mortality in cotton aphids and 100% mortality in green peach aphids (GPA). Optimized viral genes (o-ISTK and o-IRI) were stably transformed into the model plant, Arabidopsis. PCR analysis of genomic DNA confirmed the presence of the gene insert (oISTK/oIRI) in selected transgenic lines. The further screening was performed to identify the PCR positive lines that showed expression of respective toxins at the polypeptide level using Western blot analysis. The stable lines expressing either of these two toxins induced moderate to very high mortality in GPAs and significantly affected GPA development and fecundity. The aphicidal potential of these transgenic Arabidopsis lines will be presented.Keywords: Chilo iridescent virus, insecticidal toxin, iridoviruses, plant-incorporated protectants, serine/threonine kinase
Procedia PDF Downloads 286874 Expression Level of Dehydration-Responsive Element Binding/DREB Gene of Some Local Corn Cultivars from Kisar Island-Maluku Indonesia Using Quantitative Real-Time PCR
Authors: Hermalina Sinay, Estri L. Arumingtyas
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The research objective was to determine the expression level of dehydration responsive element binding/DREB gene of local corn cultivars from Kisar Island Maluku. The study design was a randomized block design with single factor consist of six local corn cultivars obtained from farmers in Kisar Island and one reference varieties wich has been released by the government as a drought-tolerant varieties and obtained from Cereal Crops Research Institute (ICERI) Maros South Sulawesi. Leaf samples were taken is the second leaf after the flag leaf at the 65 days after planting. Isolation of total RNA from leaf samples was carried out according to the protocols of the R & A-BlueTM Total RNA Extraction Kit and was used as a template for cDNA synthesis. The making of cDNA from total RNA was carried out according to the protocol of One-Step Reverse Transcriptase PCR Premix Kit. Real Time-PCR was performed on cDNA from reverse transcription followed the procedures of Real MODTM Green Real-Time PCR Master Mix Kit. Data obtained from the real time-PCR results were analyzed using relative quantification method based on the critical point / Cycle Threshold (CP / CT). The results of gene expression analysis of DREB gene showed that the expression level of the gene was highest obtained at Deep Yellow local corn cultivar, and the lowest one was obtained at the Rubby Brown Cob cultivar. It can be concluded that the expression level of DREB gene of Deep Yellow local corn cultivar was highest than other local corn cultivars and Srikandi variety as a reference variety.Keywords: expression, level, DREB gene, local corn cultivars, Kisar Island, Maluku
Procedia PDF Downloads 299873 Towards Sustainable Construction in the United Arab Emirates: Challenges and Opportunities
Authors: Yousef Alqaryouti, Mariam Al Suwaidi, Raed Mohmood AlKhuwaildi, Hind Kolthoum, Issa Youssef, Mohammed Al Imam
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The UAE has experienced rapid economic growth due to its mature oil production industry, leading to a surge in urbanization and infrastructure development in the construction sector. Sustainable development practices are becoming increasingly important, and the UAE government has taken proactive measures to promote them, including the introduction of sustainable building codes, energy-efficient technologies, and renewable energy sources. Initiatives such as the Masdar City project and the Emirates Green Building Council further demonstrate the government's commitment to a cleaner and healthier environment. By adopting sustainable practices, the UAE can reduce its carbon footprint, lessen its reliance on fossil fuels, and achieve cost savings in the long run. The purpose of this paper is to conduct a thorough review of the current state of sustainability in the construction industry of the UAE. Our research methodology includes a local market survey and qualitative observational analysis of executed housing construction projects by the Mohammed Bin Rashid Housing Establishment. The market survey assesses eleven different challenging factors that affect sustainable construction project delivery. The qualitative observational research is based on data collected from three projects, including construction progress, bill of quantity, and construction program. The study concludes that addressing these challenges requires a collaborative team approach, incentivized contracts, traditional project management practices, an integrated project team, and an increase in sustainability awareness among stakeholders. The recommendations proposed in this study aim to promote and improve the application of sustainability in the UAE's construction industry for the future.Keywords: sustainability, construction, challenges, opportunities, case study, market survey
Procedia PDF Downloads 57872 Stressful Life Events and Their Influence on Childhood Obesity and Emotional Well-Being: Cross-Sectional Study
Authors: M. Rojo, M. Blanco, T. Lacruz, S. Solano, L. Beltran, M. Graell, A. R. Sepulveda.
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There is an association between an early accumulation of Stressful Life Events (SLE) during childhood and various physical and psychological health complications. However, there are only a few studies on this topic in children and adolescents with overweight or obesity. The general aim of the study was to evaluate the accumulation and type of SLE in 200 children from 8 to 12 years old and analyze the relationship with their emotional well-being and weight status (obesity, overweight and normal weight). The children and their families completed an interview. The evaluated variables that are included in this study are sociodemographic measures, medical/psychological history, anthropometric measures (BMI, z-BMI), and psychological variables (children's clinical interview K-SADS-PL(Schedule for Affective Disorders and Schizophrenia for School-Age Children Present and Lifetime Version) and battery of questionnaires). Results: Children with overweight and obesity accumulate more stressful events from an early age and have a significantly higher percentage of psychiatric diagnoses, compared to their peers with normal weight. Presenting a child psychiatric disorder is related to greater z-BMI and the total number of SLE (p < 0.001). A higher z-BMI is also related to a greater number of stressful events during childhood. There is also a positive and significant relationship between the total number of SLE and worse emotional well-being (higher levels of anxious and depressive symptoms and low self-esteem of children) (p < 0.01). Conclusion: Children with overweight and obesity grow up in a family, school, and social context where more stressors are accumulated. This is also directly associated with worse emotional well-being. It is necessary to implement multidisciplinary prevention and intervention strategies in different changes (school, family, and health). This study is included in a project funded by the Ministry of Innovation and Science (PSI2011-23127).Keywords: childhood obesity, emotional well-being, psychopathology, stressful life events
Procedia PDF Downloads 127871 Eco-Friendly Textiles: The Power of Natural Dyes
Authors: Bushra
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This paper explores the historical significance, ecological benefits, and contemporary applications of natural dyes in textile dyeing, aiming to provide a comprehensive overview of their potential to contribute to a sustainable fashion industry while minimizing ecological footprints. This research explores the potential of natural dyes as a sustainable alternative to synthetic dyes in the textile industry, examining their historical context, sources, and environmental benefits. Natural dyes come from plants, animals, and minerals, including roots, leaves, bark, fruits, flowers, insects, and metal salts, used as mordants to fix dyes to fabrics. Natural dyeing involves extraction, mordanting, and dyeing techniques. Optimizing these processes can enhance the performance of natural dyes, making them viable for contemporary textile applications based on experimental research. Natural dyes offer eco-friendly benefits like biodegradability, non-toxicity, and resource renewables, reducing pollution, promoting biodiversity, and reducing reliance on petrochemicals. Natural dyes offer benefits but face challenges in color consistency, scalability, and performance, requiring industrial production to meet modern consumer standards for durability and colorfastness. Contemporary initiatives in the textile industry include fashion brands like Eileen Fisher and Patagonia incorporating natural dyes, artisans like India Flint's Botanical Alchemy promoting traditional dyeing techniques, and research projects like the European Union's Horizon 2020 program. Natural dyes offer a sustainable textile industry solution, reducing environmental impact and promoting harmony with nature. Research and innovation are paving the way for widespread adoption, transforming textile dyeing.Keywords: historical significance, textile industry, natural dyes, sustainability
Procedia PDF Downloads 48870 Analysis of Underground Logistics Transportation Technology and Planning Research: Based on Xiong'an New Area, China
Authors: Xia Luo, Cheng Zeng
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Under the promotion of the Central Committee of the Communist Party of China and the State Council in 2017, Xiong'an New Area is the third crucial new area in China established after Shenzhen and Shanghai. Its constructions' significance lies in mitigating Beijing's non-capital functions and exploring a new mode of optimizing development in densely populated and economically intensive areas. For this purpose, developing underground logistics can assume the role of goods distribution in the capital, relieve the road transport pressure in Beijing-Tianjin-Hebei Urban Agglomeration, adjust and optimize the urban layout and spatial structure of it. Firstly, the construction planning of Xiong'an New Area and underground logistics development are summarized, especially the development status abroad, the development trend, and bottlenecks of underground logistics in China. This paper explores the technicality, feasibility, and necessity of four modes of transportation. There are pneumatic capsule pipeline (PCP) technology, the CargoCap technology, cable hauled mule, and automatic guided vehicle (AGV). The above technical parameters and characteristics are introduced to relevant experts or scholars. Through establishing an indicator system, carrying out a questionnaire survey with the Delphi method, the final suggestion is obtained: China should develop logistics vehicles similar to CargoCap, adopting rail mode and driverless mode. Based on China's temporal and spatial logistics demand and the geographical pattern of Xiong'an New Area, the construction scale, technical parameters, node location, and other vital parameters of underground logistics are planned. In this way, we hope to speed up the new area's construction and the logistics industry's innovation.Keywords: the Xiong'an new area, underground logistics, contrastive analysis, CargoCap, logistics planning
Procedia PDF Downloads 129869 Character Education Model for Early Childhood Based Javanese Culture
Authors: Rafika Bayu Kusumandari, Istyarini, Ispen Safrel
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Character education will be more meaningful if carried out since early childhood. This is because early childhood education is the foundation of the formation of character. This study intends to find a model of character education in early childhood based on Javanese culture. In keeping with the focus of the study, long-term goals to be achieved through this research is to find once described the development of a model of character education in early childhood Javanese culture based in Semarang are then applied across early childhood education institutions in Semarang City. The specific objective of the study is: Describe the character models and management education in early childhood Java-based culture in Semarang City. The benefits of this research are; Provide an overview of the model and describe the management of character education in early childhood Java-based culture in Semarang City. Referring to the objectives of the research program was designed with a "Research and Development", meaning that a program of research followed by development programs for improvement or refinement. To produce a prototype model of character education in early childhood Java-based culture in the city, taken systematic measures in the form of the action, reflection, evaluation and innovation by applying qualitative research methods, descriptive, development, experimentation, and evaluation. This study aims to gain in-depth description of the model of character education in early childhood Java-based culture in the city of Semarang. The reason for the use of the use of qualitative methods researcher's knowledge, no study results and empirical research specifically about the model of character education in early childhood Java-based culture in the city of Semarang. On the implementation of character education early childhood adapted to the characteristics of each school and the emphasis of each agency arrangements for early childhood education, culture-based Java. Javanese culture should be introduced early in order not to erode the cultural lost outside the entrance as the era of globalization. In addition, Java is promoting a culture of courtesy and manners are very appropriate for the character formation of children of early age.Keywords: education character, Javanese culture, childhood, character
Procedia PDF Downloads 391868 The Transition from National Policy to Institutional Practice of Vietnamese English Language Teacher Education
Authors: Thi Phuong Lan Nguyen
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The English Language Teacher Education (ELTE) in Vietnam is rapidly changing to address the new requirements of the globalization and socialization era. Although there has been a range of investments and innovation in policy and curriculum, tertiary educators and learners do not engage in the enactment. It is vital to understand the practices at the tertiary education level. The study is to understand the higher education curriculum development policy, both in theory and in practice across four representatives of ELTE institutions in the North of Vietnam. The lecturers’ perceptions about the extent to which the enacted curriculum is aligned with national standards will be explored. Nineteen policy documents, seventy surveys, and twelve interviews with lecturers and instructional leaders across these four Vietnamese Northern ELTE institutions have been analyzed to investigate how the policy shape the practice. The two most significant findings are (i) a low level of alignment between curriculum and soft-skills standards of the graduates required by the Vietnamese Ministry of Education and Training (MOET) and (ii) incoherence between current national policy and these institutions’ implementation. In order to address these gaps, it is strongly recommended that curriculum needs to be further developed, focusing more on the institutional outcomes, MOET’s standards, and the social demands in times of globalization. More importantly, professional development in ELTE is vital for a range of curriculum and educational policy stakeholders. The study helps to develop the English teaching profession in Vietnam in a systematic way, from policymakers to implementers, and from instructors to learners. Its significance lies in its relevance to English teaching careers, particularly within the researcher’s specific context, yet also remains relevant to ELTE in other parts of Vietnam and in other EFL (English as a Foreign Language) countries.Keywords: curriculum, English language teaching education, policy implementation, standard, teaching practice
Procedia PDF Downloads 239867 Research on Coordinated Development Mechanism of Semi-urbanized Areas under the Background of Guangdong-Hong Kong-Macao Greater Bay Area: A Case Study of 'Baiyun-Nanhai' Pilot Area
Authors: Cheng Fang Wang, Fu Li Gao, Jian Ying Zhou
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The '1+4' integration pilot area in the border area of Guangzhou-Foshan is an important platform for Guangzhou-Foshan strategic cooperation, as well as a typical semi-urbanized area with mixed urban and rural landscapes, of which the Baiyun-Nanhai pilot area is one of them. Baiyun district and Nanhai district are only separated by the Pearl River. In this paper, the three dimensions, which include production, living, and ecology, have been put forward, as well as cross-regional multi-agency negotiation mechanism has been discussed. Taking 'Baiyun-Nanhai' pilot area as a case study, POI (Point of Interest) data to analyze the distribution characteristics of 'production-living-ecological space' from the spatial dimension has been introduced in this paper, as well as the land-use change of 'production-living-ecological space' in western region of Baiyun district in 2007 and 2017 from the temporal dimension has been analyzed. Based on the above analysis, the integration development strategy and rethinking of cross-administrative region based on 'production-living-ecological integration' mechanism have been discussed later. It will explore the mechanism of industrial collaborative innovation, infrastructure co-construction, and ecological co-protection in semi-urban areas across borders. And it is expected to provide a reference for the integrated construction of the Guangdong-Hong Kong-Macao Greater Bay Area.Keywords: semi-urbanization, production-living-ecological integration, multi-agency negotiation, Guangzhou-Foshan integration, synergetic development
Procedia PDF Downloads 144866 Solar-Plasma Reactors for a Zero-Emission Economy
Authors: Dassou Nagassou
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Recent increase in frequency and severity of climatic impacts throughout the world has put a particular emphasis on the urgency to address the anthropogenic greenhouse gas emissions. The latter, mainly composed of carbon dioxide are responsible for the global warming of planet earth. Despite efforts to transition towards a zero-emission economy, manufacturing industries, electricity generation power plants, and transportation sectors continue to encounter challenges which hinder their progress towards a full decarbonization. The growing energy demand from both developed and under-developed economies exacerbates the situation and as a result, more carbon dioxide is discharged into the atmosphere. This situation imposes a lot of constraints on industries which are involved i.e., manufacturing industries, transportation, and electricity generation which must navigate the stringent environmental regulations in order to remain profitable. Existing solutions such as energy efficiencies, green materials (life cycle analysis), and many more have fallen short to address the problem due to their inadaptation to existing infrastructures, low efficiencies, and prohibitive costs. The proposed technology exploits the synergistic interaction between solar radiation and plasma to boost a direct decomposition of the molecules of carbon dioxide while producing alternative fuels which can be used to sustain on-site high-temperature processes via 100% solar energy harvesting in the form of photons and electricity. The advantages of this technology and its ability to be easily integrated into existing systems make it appealing for the industry which can now afford to fast track on the path towards full decarbonization, thanks to the solar plasma reactor. Despite the promising experimental results which proved the viability of this concept, solar-plasma reactors require further investigations to understand the synergistic interactions between plasma and solar radiation for a potential technology scale-up.Keywords: solar, non-equilibrium, plasma, reactor, greenhouse-gases, solar-fuels
Procedia PDF Downloads 58865 Identification of Analogues to EGCG for the Inhibition of HPV E7: A Fundamental Insights through Structural Dynamics Study
Authors: Murali Aarthy, Sanjeev Kumar Singh
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High risk human papillomaviruses are highly associated with the carcinoma of the cervix and the other genital tumors. Cervical cancer develops through the multistep process in which increasingly severe premalignant dysplastic lesions called cervical intraepithelial neoplastic progress to invasive cancer. The oncoprotein E7 of human papillomavirus expressed in the lower epithelial layers drives the cells into S-phase creating an environment conducive for viral genome replication and cell proliferation. The replication of the virus occurs in the terminally differentiating epithelium and requires the activation of cellular DNA replication proteins. To date, no suitable drug molecule is available to treat HPV infection whereas identification of potential drug targets and development of novel anti-HPV chemotherapies with unique mode of actions are expected. Hence, our present study aimed to identify the potential inhibitors analogous to EGCG, a green tea molecule which is considered to be safe to use for mammalian systems. A 3D similarity search on the natural small molecule library from natural product database using EGCG identified 11 potential hits based on their similarity score. The structure based docking strategies were implemented in the potential hits and the key interacting residues of protein with compounds were identified through simulation studies and binding free energy calculations. The conformational changes between the apoprotein and the complex were analyzed with the simulation and the results demonstrated that the dynamical and structural effects observed in the protein were induced by the compounds and indicated the dominance to the oncoprotein. Overall, our study provides the basis for the structural insights of the identified potential hits and EGCG and hence, the analogous compounds identified can be potent inhibitors against the HPV 16 E7 oncoprotein.Keywords: EGCG, oncoprotein, molecular dynamics simulation, analogues
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