Search results for: natural bond orbital

Authors: Ammar Neshati, Elham Hamidi Shishavan

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Background and Aim: Enamel wear is among the main disadvantages of ceramic restorations. Recently, use of full zirconia crowns without dental porcelain has been suggested. The aim of this study was to compare the effect of feldspathic porcelain and zirconia on the wear of natural teeth. Materials and Methods: In this experimental study, 22 zirconia specimens were fabricated; out of which, 11 specimens were polished and used as zirconia specimens while the remaining 11 were used to fabricate porcelain specimens. A total of 22 natural human teeth were also collected. The natural teeth were photographed by a stereomicroscope in a fixed position and the distance from the cusp tip to a reference point was measured. Next, 11 teeth opposed zirconia and the remaining 11 opposed porcelain specimens in a chewing simulator and subjected to 120,000 masticatory cycles. The teeth were photographed again and the greatest difference between the before and after values was recorded. Results: The mean (± standard deviation) wear rate was 153.8±95.68 and 306.3±127.74, in the zirconia and porcelain groups, respectively; and the two groups had a statistically significant difference in this respect (P=0.007). Conclusion: The mean wear was significantly lower in teeth opposing zirconia than in those opposing feldspathic porcelain.

Keywords: natural tooth wear, feldspathic porcelain, zirconia, effect

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Authors: Sepinoud Hamedi

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Over the past few decades, companies have appeared developing concerns in connection to the natural affect of their fabricating exercises. Green supply chain administration has been considered by the producers as a attainable choice to decrease the natural affect of operations whereas at the same time moving forward their operational execution. Contemporaneously the coming of digitalization and globalization within the supply chain space has driven to a developing acknowledgment of the importance of data preparing methodologies, such as enormous information analytics and fake insights innovations, in improving and optimizing supply chain execution. Also, supply chain collaboration in part intervenes the relationship between manufactured innovation and supply chain execution Ponders appear that the use of BDA-AI advances includes a significant impact on natural handle integration and green supply chain collaboration conjointly underlines that both natural handle integration and green supply chain collaboration have a critical affect on natural execution. Correspondingly savvy supply chain contributes to green execution through overseeing green connections and setting up green operations.

Keywords: green supply chain, artificial intelligence, manufacturers, technology, environmental

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Authors: E. Osorio Schmied

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Architects commonly attempt a depiction of organic forms when their works are inspired by nature, regardless of the building site. Nevertheless it is also possible to try matching structures with natural scenery, by applying a phenomenological approach in terms of spatial operations, regarding perceptions from nature through architectural aspects such as protection, views, and orientation. This method acknowledges a relationship between place and space, where intentions towards tangible facts then become design statements. Although spaces resulting from such a process may present an effective response to the environment, they can also offer further outcomes beyond the realm of form. The hypothesis is that, in addition to recognising a bond between architecture and nature, it is also plausible to associate such perceptions with the inner ambient of buildings, by analysing features such as daylight. The case study of a single-family house in a rainforest near Valdivia, Chilean Patagonia is presented, with the intention of addressing the above notions through a discussion of the actual effects of inhabiting a place by way of a series of insights, including a revision of diagrams and photographs that assist in understanding the implications of this design practice. In addition, figures based on post-occupancy behaviour and daylighting performance relate both architectural and environmental issues to a decision-making process motivated by the observation of nature.

Keywords: architecture, design statements, nature, perception

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Authors: M. Ibrir, S. Berri, S. Lakel, D. Maouche And Y. Medkour

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We have performed first-principle calculations of the structural, electronic and magnetic properties of KFeF3, KCoF3, KMnF3, KVF3, using full-potential linearized augmented plane-wave (FP-LAPW) scheme within GGA. Features such as the lattice constant, bulk modulus and its pressure derivative are reported. Also, we have presented our results of the band structure and the density of states. The magnetic moments of KFeF3, KCoF3, KMnF3, KVF3 compounds are in most came from the exchange-splitting of X-3d orbital.

Keywords: Ab initio calculations, electronic structure, magnetic materials

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Authors: Moh’d Anwer Al-Shboul

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The year 2011 was a challenging year for Jordanian economy, which felt a variety of effects from the Arab Spring which took place in neighboring countries. Since February, 5th 2012, the Arab Gas Supply Pipeline, which carries natural gas from Egypt through the Sinai Peninsula and to Jordan and Israel, has been attacked more than 39 times. Jordan imported about 80 percent of its necessity of natural gas (about 250 million cubic feet of natural gas per day) from Egypt to generate particularly electricity, with the reminder of being produced locally. Jordan has utilized multiple alternatives to address the interruption of available natural gas supply from Egypt. The Jordanian distributed power plants now rely on the use of heavy fuel oil and diesel for electricity generation, in this case, it costs Jordan about four times than natural gas. The substitution of Egyptian natural gas supplies by fuel oil and diesel, coupled with the 32 percent rise in global fuel prices, has increased Jordan’s energy import bill by over 50 percent in 2011, reaching more than 16 percent of the 2011 GDP. The increase in the cost of electricity generation pushed the Jordanian economy to borrow from multiple internal and external resource channels, thus increasing the public debt. The Jordanian government’s short-term solution to the reduced natural gas supply from Egypt was alternatively purchasing the necessary quantities from some Gulf countries such as Qatar and/or Saudi Arabia, which can be imported with two possible methods. The first method is to rent a ship equipped with a liquefied natural gas (LNG) terminal, which is currently operating. The second method requires equipping the Aqaba port with an LNG terminal, which also currently is operating. In the long-term, a viable solution to depending on importing expensive and often unreliable natural gas supplies from surrounding countries is to depend more heavily on renewable supply energy, including solar, wind, and water energy.

Keywords: energy supply resources, Arab spring, liquefied natural gas, pipeline, Jordan

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Authors: Nabila Mohamed, Santiago Aparicio, Bahman Tohidi, Mert Atilhan

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Qatar's one of the biggest problem in processing its natural resource, which is natural gas, is the often occurring blockage in the pipelines caused due to uncontrolled gas hydrate formation in the pipelines. Several millions of dollars are being spent at the process site to dehydrate the blockage safely by using chemical inhibitors. We aim to establish national database, which addresses the physical conditions that promotes Qatari natural gas to form gas hydrates in the pipelines. Moreover, we aim to design and test novel hydrate inhibitors that are suitable for Qatari natural gas and its processing facilities. From these perspectives we are aiming to provide more effective and sustainable reservoir utilization and processing of Qatari natural gas. In this work, we present the initial findings of a QNRF funded project, which deals with the natural gas hydrate formation characteristics of Qatari type gas in both experimental (PVTx) and computational (molecular simulations) methods. We present the data from the two fully automated apparatus: a gas hydrate autoclave and a rocking cell. Hydrate equilibrium curves including growth/dissociation conditions for multi-component systems for several gas mixtures that represent Qatari type natural gas with and without the presence of well known kinetic and thermodynamic hydrate inhibitors. Ionic liquids were designed and used for testing their inhibition performance and their DFT and molecular modeling simulation results were also obtained and compared with the experimental results. Results showed significant performance of ionic liquids with up to 0.5 % in volume with up to 2 to 4 0C inhibition at high pressures.

Keywords: gas hydrates, natural gas, ionic liquids, inhibition, thermodynamic inhibitors, kinetic inhibitors

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Authors: Maria M. Giannakou, Athanasios K. Ziliaskopoulos

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Transmission pipelines carrying natural gas are often routed through populated cities, industrial and environmentally sensitive areas. While the need for these networks is unquestionable, there are serious concerns about the risk these lifeline networks pose to the people, to their habitat and to the critical infrastructures, especially in view of natural disasters such as earthquakes. This work presents an Integrated Pipeline Risk Management methodology (IPRM) for assessing the hazard associated with a natural gas pipeline failure due to natural or manmade disasters. IPRM aims to optimize the allocation of the available resources to countermeasures in order to minimize the impacts of pipeline failure to humans, the environment, the infrastructure and the economic activity. A proposed knapsack mathematical programming formulation is introduced that optimally selects the proper mitigation policies based on the estimated cost – benefit ratios. The proposed model is demonstrated with a small numerical example. The vulnerability analysis of these pipelines and the quantification of consequences from such failures can be useful for natural gas industries on deciding which mitigation measures to implement on the existing pipeline networks with the minimum cost in an acceptable level of hazard.

Keywords: cost benefit analysis, knapsack problem, natural gas distribution network, risk management, risk mitigation

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Authors: Tayeb Aissaoui, Inas M. AlNashef

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In recent years, green solvents named deep eutectic solvents (DESs) have been found to possess significant properties and to be applicable in several technologies. Choline chloride (ChCl) mixed with urea at a ratio of 1:2 and 80 °C was the first discovered DES. In this article, chemical structure and combination mechanism of ChCl: urea based DES were investigated. Moreover, the implementation of this DES in water removal from natural gas was reported. Dehydration of natural gas by ChCl:urea shows significant absorption efficiency compared to triethylene glycol. All above operations were retrieved from COSMOthermX software. This article confirms the potential application of DESs in gas industry.

Keywords: COSMO-RS, deep eutectic solvents, dehydration, natural gas, structure, organic salt

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Authors: Nyasha Agnes Gurira, Petronella Katekwe

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Traditional management systems (TMS) are a vital source of knowledge for conserving cultural and natural heritage. TMS’s are renowned for their ability to preserve both tangible and intangible manifestations of heritage. They are a construct of the intricate relationship that exists between heritage and host communities, where communities are recognized as owners of heritage and so, set up management mechanisms to ensure its adequate conservation. Multiple heritage condition surveys were conducted to assess the effectiveness of using TMS in the conservation of both natural and cultural heritage. Surveys were done at Nharira Hills, Mahwemasimike, Dzimbahwe, Manjowe Rock art sites and Norumedzo forest which are heritage places in Zimbabwe. It assessed the state of conservation of the five case studies and assessed the role that host communities play in the management of these heritage places. It was revealed that TMS’s are effective in the conservation of natural heritage, however in relation to heritage forms with cultural manifestations, there are major disparities. These range from differences in appreciation and perception of value within communities leading to vandalism, over emphasis in the conservation of the intangible element as opposed to the tangible. This leaves the tangible element at risk. Despite these issues, TMS are a reliable knowledge base which enables more holistic conservation approaches for cultural and natural heritage.

Keywords: communities, cultural intangible, tangible heritage, traditional management systems, natural

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Authors: M. Yousaf, S. Usman

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The present study focused on the investigation of the effects of roughness elements on heat transfer during natural convection in a rectangular cavity using a numerical technique. Roughness elements were introduced on the bottom hot wall with a normalized amplitude (A*/H) of 0.1. Thermal and hydrodynamic behavior was studied using a computational method based on Lattice Boltzmann method (LBM). Numerical studies were performed for a laminar natural convection in the range of Rayleigh number (Ra) from 103 to 106 for a rectangular cavity of aspect ratio (L/H) 2 with a fluid of Prandtl number (Pr) 1.0. The presence of the sinusoidal roughness elements caused a minimum to the maximum decrease in the heat transfer as 7% to 17% respectively compared to the smooth enclosure. The results are presented for mean Nusselt number (Nu), isotherms, and streamlines.

Keywords: natural convection, Rayleigh number, surface roughness, Nusselt number, Lattice Boltzmann method

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Authors: Li-Xin Shi, Meng-Fei Hu, Song-Chuan Zhao

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Dense particle suspensions composed of mixtures of particles and fluid are omnipresent in natural phenomena and in industrial processes. Dense particle suspension under shear may lose its uniform state to large local density and stress fluctuations which challenge the mean-field description of the suspension system. However, it still remains largely debated and far from fully understood of the internal mechanism. Here, a dynamics of a non-Brownian suspension is explored under horizontal swirling excitations, where high-density patches appear when the excitation frequency is increased beyond a threshold. These density patches are self-assembled into a hexagonal pattern across the system with further increases in frequency. This phenomenon is underlined by the spontaneous growth of density waves (instabilities) along the flow direction, and the motion of these density waves preserves the circular path and the frequency of the oscillation. To investigate the origin of the phenomena, the constitutive relationship calibrated by independent rheological measurements is implemented into a simplified two-phase flow model. And the critical instability frequency in theory calculation matches the experimental measurements quantitatively without free parameters. By further analyzing the model, the instability is found to be closely related to the discontinuous shear thickening transition of the suspension. In addition, the long-standing density waves degenerate into random fluctuations when replacing the free surface with rigid confinement. It indicates that the shear-thickened state is intrinsically heterogeneous, and the boundary conditions are crucial for the development of local disturbance.

Keywords: dense suspension, instability, self-organization, density wave

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Authors: Kadda Boumediene, Mohamed Ziani

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Mainly because of their good ratio stiffness/mass, and in addition to adjustable mechanical properties, composite materials are more and more often used as an alternative to traditional materials in several domains. Before using these materials in practical application, a detailed and precise characterization of their mechanical properties is necessary. In the present work, we will find a dynamic analyze of composite beam (natural frequencies and mode shape), an experimental vibration technique, which presents a powerful tool for the estimation of mechanical characteristics, is used to characterize a dissimilar beam of a Mortar/ natural mineral fiber. The study is completed by an analytic (Rayleigh & Rayleigh-Ritz), experimental and numerical application for non-uniform composite beam of a Mortar/ natural mineral fiber. The study is supported by a comparison between numerical and analytic results as well as a comparison between experimental and numerical results.

Keywords: composite beam, mortar/ natural mineral fiber, mechanical characteristics, natural frequencies, mode shape

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Authors: Sepideh Samadzadehyazdi, Mohammad Javad Khalili, Sarvenaz Samadzadehyazdi, Mohammad Javad Mahdavinejad

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The term ‘Windphil Architecture’ refers to the building that facilitates natural ventilation by architectural elements. Natural ventilation uses the natural forces of wind pressure and stacks effect to direct the movement of air through buildings. Natural ventilation is increasingly being used in contemporary buildings to minimize the consumption of non-renewable energy and it is an effective way to improve indoor air quality. The main objective of this paper is to identify the strategies of using natural ventilation in Iranian modern buildings. In this regard, the research method is ‘descriptive-analytical’ that is based on comparative techniques. To simulate wind flow in the interior spaces of case studies, FLUENT software has been used. Research achievements show that it is possible to use natural ventilation to create a thermally comfortable indoor environment. The natural ventilation strategies could be classified into two groups of environmental characteristics such as public space structure, and architectural characteristics including building form and orientation, openings, central courtyards, wind catchers, roof, wall wings, semi-open spaces and the heat capacity of materials. Having investigated modern buildings of Iran, innovative elements like wind catchers and wall wings are less used than the traditional architecture. Instead, passive ventilation strategies have been more considered in the building design as for the roof structure and openings.

Keywords: natural ventilation strategies, wind catchers, wind flow, Iranian modern buildings

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Authors: Dritan Lloçi, Xhulia Bygjymi

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The topic is about one of the new trends with the greatest expectations in the field of tourism, such as agritourism. It is chosen exactly this type of tourism to address as this issue is one of the newest trends not only for Tirana or Albania but also beyond. The other reason is that this topic is quite current and challenging for the reality in which we find ourselves, and the opportunities for research work and to make our own contribution are quite large. It is chosen Tirana because seeing the many opportunities it offers for the development of agritourism as a result of the rich natural potential it offers; the fact that it is the capital of Albania makes this space absorb a good part of the investments in the rural tourism sector but not alone. The study is organized into several main issues regarding the natural and human potentials of the area, which are in function of the development of agrotourism. The first issue has to do with the natural potentials of the municipality of Tirana and how they can be used for agritourism. The second issue has to do with the cultural potential that the municipality of Tirana possesses, causing tourist flows to be more concentrated in this geographical-administrative space. The third issue has to do with the human potential that is a function of agrotourism. So the way of life, hospitality, cooking, etc.

Keywords: agrotourism, natural potential, agrotourism farms, tirana municipality, tourism development

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Authors: Chunyang Miao, Bingxin Li, Shanglong Ning, Christopher J. B. Ford

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While it is challenging to fabricate electronic devices close to atomic dimensions in conventional top-down lithography, molecular electronics is promising to help maintain the exponential increase in component densities via using molecular building blocks to fabricate electronic components from the bottom up. It offers smaller, faster, and more energy-efficient electronic and photonic systems. A self-assembled monolayer (SAM) of molecules is a layer of molecules that self-assembles on a substrate. They are mechanically flexible, optically transparent, low-cost, and easy to fabricate. A large-area multi-layer structure has been designed and investigated by the team, where a SAM of designed molecules is sandwiched between graphene and gold electrodes. Each molecule can act as a quantum dot, with all molecules conducting in parallel. When a source-drain bias is applied, significant current flows only if a molecular orbital (HOMO or LUMO) lies within the source-drain energy window. If electrons tunnel sequentially on and off the molecule, the charge on the molecule is well-defined and the finite charging energy causes Coulomb blockade of transport until the molecular orbital comes within the energy window. This produces ‘Coulomb diamonds’ in the conductance vs source-drain and gate voltages. For different tunnel barriers at either end of the molecule, it is harder for electrons to tunnel out of the dot than in (or vice versa), resulting in the accumulation of two or more charges and a ‘Coulomb staircase’ in the current vs voltage. This nanostructure exhibits highly reproducible Coulomb-staircase patterns, together with additional oscillations, which are believed to be attributed to molecular vibrations. Molecules are more isolated than semiconductor dots, and so have a discrete phonon spectrum. When tunnelling into or out of a molecule, one or more vibronic states can be excited in the molecule, providing additional transport channels and resulting in additional peaks in the conductance. For useful molecular electronic devices, achieving the optimum orbital alignment of molecules to the Fermi energy in the leads is essential. To explore it, a drop of ionic liquid is employed on top of the graphene to establish an electric field at the graphene, which screens poorly, gating the molecules underneath. Results for various molecules with different alignments of Fermi energy to HOMO have shown highly reproducible Coulomb-diamond patterns, which agree reasonably with DFT calculations. In summary, this large-area SAM molecular junction is a promising candidate for future electronic circuits. (1) The small size (1-10nm) of the molecules and good flexibility of the SAM lead to the scalable assembly of ultra-high densities of functional molecules, with advantages in cost, efficiency, and power dissipation. (2) The contacting technique using graphene enables mass fabrication. (3) Its well-observed Coulomb blockade behaviour, narrow molecular resonances, and well-resolved vibronic states offer good tuneability for various functionalities, such as switches, thermoelectric generators, and memristors, etc.

Keywords: molecular electronics, Coulomb blokade, electron-phonon coupling, self-assembled monolayer

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Authors: Jasmine Latiolais

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Much of the disaster-related literature finds a positive relationship between the impact of a natural disaster and the growth of wages. Panel datasets are often used to explore these effects. However, natural disasters do not impact a single variable in the economy. Rather, natural disasters affect all facets of the economy, simultaneously, upon impact. It is difficult to control for all factors that would be influenced by the impact of a natural disaster, which can lead to lead to omitted variable bias in those studies employing panel datasets. To address this issue of omitted variable bias, an interrupted time series analysis is used to test the short-run relationship between the impact of Hurricanes Katrina and Rita on parish wage levels in Southern Louisiana, inherently controlling for economic conditions. This study provides evidence that natural disasters do increase wages in the very short term (one quarter following the impact of the hurricane) but that these results are not seen in the longer term and are not robust. In addition, the significance of the coefficients changes depending on the parish. Overall, this study finds that previous literature on this topic may not be robust when considered through a time-series lens.

Keywords: economic recovery, local economies, local wage growth, natural disasters

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Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

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The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

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Authors: Huiqiang Yang, Domingo Santana

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Reducing parasitic power consumption of concentrating solar power plants is the main challenge to increase the overall efficiency, particularly for molten salt tower technology. One of the most effective approaches to reduce the parasitic power consumption is to implement a natural draft dry cooling system instead of the standard utilized mechanical draft dry cooling system. In this paper, a thermo-economic analysis of a natural draft direct cooling system was performed based on a 100MWe commercial scale molten salt power plant. In this configuration with a natural draft direct cooling system, the exhaust steam from steam turbine flows directly to the heat exchanger bundles inside the natural draft dry cooling tower, which eliminates the power consumption of circulation pumps or fans, although the cooling tower shadows a portion of the heliostat field. The simulation results also show that compared to a mechanical draft cooling system the annual solar field efficiency is decreased by about 0.2% due to the shadow, which is equal to a reduction of approximately 13% of the solar field area. As a contrast, reducing the solar field size by 13% in purpose in a molten salt power plant with a natural draft drying cooling system actually will lead to a reduction of levelized cost of electricity (LCOE) by about 4.06% without interfering the power generated.

Keywords: molten salt power tower, natural draft dry cooling, parasitic power consumption, commercial scale

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Authors: Alwyn John Lim

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Philippines is one of the most vulnerable areas to natural disasters in the world. Almost every year different types of natural disasters occur in Philippines and destroy many lives and resources of people. Although it is not possible to prevent the occurrence of disasters influenced by natural causes, proper plan and management such as disaster risk reduction may minimize the damage cause by natural disasters. Based on literature review this paper will analyze literatures on public/community awareness and education in disaster risk reduction that would help promote a country wide public disaster awareness and education program in the Philippines. This will include best practices and importance of community disaster awareness and education. The paper will also tackle ICT tools that will help boost the process and effectiveness of community/public disaster awareness and education.

Keywords: community awareness, disaster education, disaster risk reduction, Philippines

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Authors: Hooman Dabirmanesh, Attila M. Zsaki

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The toppling failure mode in a rock mass is considerably different from the most common sliding failure type along an existing or an induced slip plane. Block toppling is observed in a rock mass which consists of both a widely-spaced basal cross-joint set and a closely-spaced discontinuity set dipping into the slope. For this case, failure occurs when the structure cannot bear the tensile portion of bending stress, and the columns or blocks overturn by their own weight. This paper presents a particle-based discrete element model of rock blocks subjected to a toppling failure where geometric conditions and interaction among blocks are investigated. A series of parametric studies have been conducted on particles’ size, arrangement and bond contact among of particles which are made the blocks. Firstly, a numerical investigation on a one-block system was verified. Afterward, a slope consisting of multi-blocks was developed to study toppling failure and interaction forces between blocks. The results show that the formation of blocks, especially between the block and basal plane surface, can change the process of failure. The results also demonstrate that the initial configuration of particles used to form the blocks has a significant role in achieving accurate simulation results. The size of particles and bond contacts have a considerable influence to change the progress of toppling failure.

Keywords: block toppling failure, contact interaction, discrete element, particle size, random generation

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Authors: Yulin Liang

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Under the background of protecting ecology, natural education is an effective way for people to understand nature. At the same time, it is a new means of sustainable development of eco-tourism, which can improve the functions of China 's protected areas and develop new business formats for the development of national parks. This study takes national park gateway communities as the research object and uses literature review, inductive reasoning and other research methods to sort out the development process of natural education in China and the research progress of natural education design in national park gateway communities. Finally, it discuss how gateway communities can use natural education to transform their development methods and provide theoretical and practical basis for the development of gateway communities in national parks.

Keywords: nature education, gateway communities, national park, sustainable development

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Authors: Habibis Saleh, Ishak Hashim

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Combined surface tension and natural convection heat transfer in an open cavity is studied numerically in this article. The cavity is filled with water-{Cu} nanofluids. The left wall is kept at low temperature, the right wall at high temperature and the bottom and top walls are adiabatic. The top free surface is assumed to be flat and non--deformable. Finite difference method is applied to solve the dimensionless governing equations. It is found that the insignificant effect of adding the nanoparticles were obtained about $Ma_{bf}=250$.

Keywords: natural convection, marangoni convection, nanofluids, square open cavity

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Authors: Harish Rajak, Preeti Patel

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The application of histone deacetylase inhibitors is a well-known strategy in prevention of cancer which shows acceptable preclinical antitumor activity due to its ability of growth inhibition and apoptosis induction of cancer cell. Molecular docking were performed using Histone Deacetylase protein (PDB ID:1t69) and prepared series of hydroxamic acid based HDACIs. On the basis of docking study, it was predicted that compound 1 has significant binding interaction with HDAC protein and three hydrogen bond interactions takes place, which are essential for antitumor activity. On docking, most of the compounds exhibited better glide score values between -8 to -10 which is close to the glide score value of suberoylanilide hydroxamic acid. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. The 3D-QSAR models provided a good correlation between predicted and actual anticancer activity. Best QSAR model showed Q2 (0.7974), R2 (0.9200) and standard deviation (0.2308). QSAR visualization maps suggest that hydrogen bond acceptor groups at carbonyl group of cap region and hydrophobic groups at ortho, meta, para position of R9 were favorable for HDAC inhibitory activity. We established structure activity correlation using docking, pharmacophore modeling and atom based 3D QSAR model for hydroxamic acid based HDACIs.

Keywords: HDACIs, QSAR, e-pharmacophore, docking, suberoylanilide hydroxamic acid

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Authors: G. L. Devnani, Shishir Sinha

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In the recent years, researchers have drawn their focus on natural fibers reinforced composite materials because of their excellent properties like low cost, lower weight, better tensile and flexural strengths, biodegradability etc. There is little concern however that when these materials are put in moist conditions for long duration, their mechanical properties degrade. Therefore, in order to take maximum advantage of these novel materials, one should have a complete understanding of their moisture or water absorption phenomena. Various fiber surface treatment methods like alkaline treatment, acetylation etc. have also been suggested for reduction in water absorption of these composites. In the present study, a detailed review is done for water absorption behavior of natural fiber reinforced polymer composites, and experiments also have been performed on these composites with varying the parameters like fiber loading etc. for understanding the water absorption kinetics. Various surface treatment methods also performed to reduce the water absorption behavior of these materials and effort is made to develop a proper understanding of water absorption mechanism mathematically and experimentally for full potential utilization of natural fiber reinforced polymer composite materials.

Keywords: alkaline treatment, composites, natural fiber, water absorption

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Authors: Hichem Boulechfar, Mahfoud Djezzar

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Two-dimensional double diffusive natural convection in an annular elliptical space filled with fluid-saturated porous medium, is analyzed by solving numerically the mass balance, momentum, energy and concentration equations, using Darcy's law and Boussinesq approximation. Both walls delimiting the annular space are maintained at two uniform different temperatures and concentrations. The external parameter considered is the Lewis number. For the present work, the heat and mass transfer for natural convection is studied for the case of aiding buoyancies, where the flow is generated in a cooperative mode by both temperature and solutal gradients. The local Nusselt and Sherwood numbers are presented in term of the external parameter.

Keywords: double diffusive, natural convection, porous media, elliptical annulus

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Authors: Kunto Wibowo Agung Prodjonoto

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Occasionally, opportunities occur not due to chances but threats. This, however, is often not realized because a greater threat is perceived to be anything that threatens, endangers, or harms, resulting in bad impacts that are also part of the risk and consequence. As a result, more focus tends to direct towards the bad impacts. Risk, in this case, shall be seen rather as something challenging, which can turn to be an opportunity to tackle an obstacle. Therefore, it does not seem exaggerating if later, risk can be considered as a challenge that presents an opportunity. So as in the context of the threat of natural disasters which gives an idea that opportunities exist. Nature referred to in a fashion as 'natural disasters' captured an expression to picture the 'threats' aspect, which instructively implying a chance of opportunity. This is quite logical, as SWOT (strengths, weaknesses, opportunities, threats) analysis can evaluate the situation at hand related to the analysis of various factors in formulating strategies to deal with natural disaster situations. The analytical method created by Albert Humphrey is indeed not an analytical tool to provide solutions, but certainly 'opportunities and challenges' are discussed therein on a vertical line, where opportunities are posited on the positive axis, and threats are posed on the negative axis. Observing this dynamism, the challenges and threats of disasters are having opportunity relevance to moralizing opportunities, that by quality poses universalism populist characteristics, universalism characteristics, and regional characteristics. Here, universalism appears as an opportunity domain underneath the threats and challenges of natural disasters.

Keywords: universality, opportunities, threats, challenges of natural disasters

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Authors: M. Hosseinnezhad, K. Gharanjig

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Natural dyes, extracted from black carrot and bramble, were utilized as photosensitizers to prepare dye-sensitized solar cells (DSSCs). Spectrophotometric studies of the natural dyes in solution and on a titanium dioxide substrate were carried out in order to assess changes in the status of the dyes. The results show that the bathochromic shift is seen on the photo-electrode substrate. The chemical binding of the natural dyes at the surface photo-electrode were increased by the chelating effect of the Ti(IV) ions. The cyclic voltammetry results showed that all extracts are suitable to be performed in DSSCs. Finally, photochemical performance and stability of DSSCs based on natural dyes were studied. The DSSCs sensitized by black carrot extract have been reported to achieve up to Jsc=1.17 mAcm^-2, Voc= 0.55 V, FF= 0.52, η=0.34%, whereas Bramble extract can obtain up to Jsc=2.24 mAcm^-2, Voc= 0.54 V, FF= 0.57, η=0.71%. The power conversion efficiency was obtained from the mixed dyes in DSSCs. The power conversion efficiency of dye-sensitized solar cells using mixed Black carrot and Bramble dye is the average of the their efficiency in single DSSCs.

Keywords: anthocyanin, dye-sensitized solar cells, green energy, optical materials

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Authors: Nada Alqadri, Omaima Nasir

Abstract:

Natural compounds are an important source of potential inhibitors; they have a lot of pharma potential with less adverse effects. The effective antiviral activities of natural products have been proved in different studies. The outbreak of COVID-19 in Wuhan, Hubei, in December 2019, coronavirus has had a significant impact on people's health and lives. Based on previous studies, natural products can be introduced as preventive and therapeutic agents in the fight against COVID-19; considering that no food or supplement has been authorized to prevent COVID-19, individuals continue to search for and consume specific herbs, foods, and commercial supplements for this purpose. This study will be aimed to estimate the uses of herbal and natural products during the COVID-19 infection to determine their usage reasons and evaluate their potential side effects. An online cross-sectional survey of different participants will be conducted and will be a focus on respondents’ chronic disease histories, socio-dmographic characteristics, and frequency and trends of using these products. Descriptive and univariate analyses will be performed to determine prevalence and associations between various products used and respondents’ socio-demographic data. Relationships will be tested using Pearson’s chi-square test or an exact probability test. Our main findings will give evidence of beneficial uses of natural products and herbal medicine as prophylactic and will be a vigorous approach to stop or at least slow down COVID-19 infection and transmission. This will be of great interest of public health, and the results of our study will lend health officials better control on the current pandemic.

Keywords: COVID-19, herbs, natural products, saudi arabia

Procedia PDF Downloads 186

Authors: Josef Steinberger, Vanni Zavarella, Hristo Tanev

Abstract:

Natural disasters cause tens of thousands of victims and massive material damages. We refer to all those events caused by natural disasters, such as damage on people, infrastructure, vehicles, services and resource supply, as micro events. This paper addresses the problem of micro - event detection in online media sources. We present a natural language grammar learning algorithm and apply it to online news. The algorithm in question is based on distributional clustering and detection of word collocations. We also explore the extraction of micro-events from social media and describe a Twitter mining robot, who uses combinations of keywords to detect tweets which talk about effects of disasters.

Keywords: online news, natural language processing, machine learning, event extraction, crisis computing, disaster effects, Twitter

Procedia PDF Downloads 459

Authors: Laura Seppälä, Ana Nuutinen

Abstract:

Environmental concerns are increasing the interest in the potential uses of natural dyes. Natural dyes are more safe and environmentally friendly option than synthetic dyes. However, one must be also cautious with natural dyes, because, for example, some dyestuff such as plants or mushrooms, as well as some mordants are poisonous. By natural dyes we mean dyes that are derived from plants, fungi, bark, lichens, algae, insects, and minerals. Different plant parts, such as stems, leaves, flowers, roots, bark, berries, fruits, and cones, can be utilized for textile dyeing and printing, pigment manufacture, and other processes depending on the season. They may be utilized to produce distinctive colour tones that are challenging to do with synthetic dyes. This adds value to textiles and makes them stand out. Synthetic dyes quickly replaced natural dyes, after being developed in the middle of the 19th century, but natural dyes have remained the dyeing method of crafters until recently. This research examines the commercial solutions for natural dyes in many parts of the world, such as Europe, the United States, South America, Africa, Asia, New Zealand, and Australia. This study aims to determine the commercial status of natural dyes. Each continent has its own traditions and specific dyestuffs. The availability of natural dyes can vary depending on several aspects, including plant species, temperature, and harvesting techniques, which poses a challenge to the work of designers and crafters. While certain plants may only provide dyes during specific seasons, others may do so continuously. To find the ideal time to collect natural dyes, it is critical to research various plant species and their harvesting techniques. Furthermore, to guarantee the quality and colour of the dye, plant material must be handled and processed properly. This research was conducted via an internet search, and results were searched systematically for commercial stakeholders in the field. The research question looked at commercial players in the field of natural dyes. This qualitative case study interpreted the data using thematic analysis. Each webpage was screenshotted and analyzed in reflection on to research question. Online content analysis means systematically coding and analyzing qualitative data. The most evident result was that the natural dyes interest in different parts of the World. There are clothing collections dyed with natural dyes, dyestuff stores, and courses for natural dyeing. This article presents the designers who work with natural dyes and actors who are involved with the natural dye industry. Several websites emphasized the safety and environmental benefits of natural dyes. Many of them included eye-catching images of textiles dyed naturally, and the colours of such dyes are thought to be attractive since they are beautiful and natural hues. The search did not find big-scale industrial solutions for natural dyes, but there were several instances of dyeing with natural dyes. Understanding the players, designers, and stakeholders in the natural dye business is the purpose of this article. The comprehension of the current state of the art illustrates the direction that the natural dye business is currently taking.

Keywords: commercial solutions, environmental issues, key stakeholders, natural dyes, sustainability, textile dyeing

Procedia PDF Downloads 38