Search results for: bond prices
552 Investigating Methanol Interaction on Hexagonal Ceria-BTC Microrods
Authors: Jamshid Hussain, Kuen Song Lin
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For prospective applications, chemists and materials scientists are particularly interested in creating 3D-micro/nanocomposite structures with shapes and unique characteristics. Ceria has recently been produced with a variety of morphologies, including one-dimensional structures (nanoparticles, nanorods, nanowires, and nanotubes). It is anticipated that this material can be used in different fields, such as catalysis, methanol decomposition, carbon monoxide oxidation, optical materials, and environmental protection. Distinct three-dimensional hydrated ceria-BTC (CeO₂-1,3,5-Benzenetricarboxylic-acid) microstructures were successfully synthesized via a hydrothermal route in an aqueous solution. FE-SEM and XRD patterns reveal that a ceria-BTC framework diameter and length are approximately 1.45–2.4 and 5.5–6.5 µm, respectively, at 130 oC and with pH 2 for 72 h. It was demonstrated that the reaction conditions affected the 3D ceria-BTC architecture. The hexagonal ceria-BTC microrod comprises organic linkers, which are transformed into hierarchical ceria microrod in the presences of air at 400 oC was confirmed by Fourier transform infrared spectroscopy. The Ce-O bonding of the hierarchical ceria microrod (HCMs) species has a bond distance and coordination number of 2.44 and 6.89, respectively, which attenuates the EXAFS spectra. Compared to the ceria powder, the HCMs produced more oxygen vacancies and Ce3+ as shown by the XPS and XANES/EXAFS analyses.Keywords: hierarchical ceria microrod, three-dimensional ceria, methanol decomposition, reaction mechanism, XANES/EXAFS
Procedia PDF Downloads 8551 First-Principles Study of Inter-Cage Interactions in Inorganic Molecular Crystals
Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar
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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.Keywords: inorganic molecular crystals, density functional theory, cages, interactions
Procedia PDF Downloads 93550 Mine Project Evaluations in the Rising of Uncertainty: Real Options Analysis
Authors: I. Inthanongsone, C. Drebenstedt, J. C. Bongaerts, P. Sontamino
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The major concern in evaluating the value of mining projects related to the deficiency of the traditional discounted cash flow (DCF) method. This method does not take uncertainties into account and, hence it does not allow for an economic assessment of managerial flexibility and operational adaptability, which are increasingly determining long-term corporate success. Such an assessment can be performed with the real options valuation (ROV) approach, since it allows for a comparative evaluation of unforeseen uncertainties in a project life cycle. This paper presents an economic evaluation model for open pit mining projects based on real options valuation approach. Uncertainties in the model are caused by metal prices and cost uncertainties and the system dynamics (SD) modeling method is used to structure and solve the real options model. The model is applied to a case study. It can be shown that that managerial flexibility reacting to uncertainties may create additional value to a mining project in comparison to the outcomes of a DCF method. One important insight for management dealing with uncertainty is seen in choosing the optimal time to exercise strategic options.Keywords: DCF methods, ROV approach, system dynamics modeling methods, uncertainty
Procedia PDF Downloads 501549 Proposed Location of Grid Connected Wind-Pv Hybrid System Based on Load Flow and Voltage Stability Indices Study
Authors: Bazilah Ismail, Muhammad Mat Naain, Ibrahim Alhamrouni, Lilik Jamilatul Awalin, Fadi Albatsh, Mohd Fairuz Abdul Hamid
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Rapid depletion and prices of the conventional energy sources have stimulated the development of the renewable energy source (RES). Due to the unpredicted and intermittent nature of RES, the hybrid renewable energy system (HRES) is the best solution to complement the nature of the respective sources, and the combination of the wind and solar energy is rapidly gaining popularity. The significant challenges on the operation and planning of the grid system with a high HRES penetration has become an important subject since the location of HRES plant give impact towards the existing system. This paper aims to propose the location of the grid connected Wind-PV hybrid plant (WPHP) based on load flow and voltage stability indices study. Several case studies are carried out using IEEE 14 bus system, and the system is modeled and tested in DigSILENT PowerFactory.Keywords: hybrid renewable energy system, wind farm, photovoltaic system, voltage stability and load flow
Procedia PDF Downloads 315548 Future Outlook and Current Situation for Security of Gas Supply in Eastern Baltic Region
Authors: Ando Leppiman, Kati Kõrbe Kaare, Ott Koppel
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The growing demand for gas has rekindled a debate on gas security of supply due to supply interruptions, increasing gas prices, transportation and distribution bottlenecks and a growing reliance on imports over longer distances. Security of supply is defined mostly as an infrastructure package to satisfy N-1 criteria. In case of Estonia, Finland, Latvia, and Lithuania all the gas infrastructure is built to supply natural gas only from one single supplier, Russia. In 2012, almost 100% of natural gas to the Eastern Baltic Region was supplied by Gazprom. under such circumstances infrastructure N-1 criteria does not guarantee security of supply. In the Eastern Baltic Region, the assessment of risk of gas supply disruption has been worked out by applying the method of risk scenarios. There are various risks to be tackled in Eastern Baltic States in terms of improving security of supply, such as single supplier risk, physical infrastructure risk, regulatory gap, fair price, and competition. The objective of this paper is to evaluate the energy security of the Eastern Baltic Region within the framework of the European Union’s policies and to make recommendations on how to better guarantee the energy security of the region.Keywords: security of supply, supply routes for natural gas, energy balance, diversified supply options, common regulative package
Procedia PDF Downloads 262547 Impact of Exogenous Risk Factors into Actual Construction Price in PPP Projects
Authors: Saleh Alzahrani, Halim Boussabaine
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Many of Public Private Partnership (PPP) are developed based on a public project is to be awarded to a private party within a one contractual framework. PPP project risks typically include the development and construction of a new asset as well as its operation. Certainly the most severe consequences of risks through the construction period are price and time overruns. These events are among the most generally used situation in value for money analysis risks. The sources of risk change during the time in PPP project. In traditional procurement, the public sector usually has to cover all prices suffering from these risks. At least there is plenty to suggest that price suffering is a norm in some of the projects that are delivered under traditional procurement. This paper will find the impact of exogenous risk factors into actual construction price into PPP projects. The paper will present a brief literature review on PPP risk pricing strategies and then using system dynamics (SD) to analyses of the risks associated with the estimated project price. Based on the finding from these analyses a risk pricing association model is presented and discussed. The paper concludes with thoughts for future research.Keywords: public private partnership (PPP), risk, risk pricing, system dynamics (SD)
Procedia PDF Downloads 557546 Benzoxaboralone: A Boronic Acid with High Oxidative Stability and Utility in Biological Contexts
Authors: Brian J. Graham, Ronald T. Raines
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The presence of a nearly vacant p orbital on boron endows boronic acids with unique abilities as a catalyst and ligand. An organocatalytic process has been developed for the conversion of biomass-derived sugars to 5-hydroxymethylfurfural, which is a platform chemical. Specifically, 2-carboxyphenylboronic acid (2-CPBA) has been shown to be an optimal catalyst for this process, promoting the desired transformation in the absence of metals. The attributes of 2-CPBA as a catalyst led to additional investigations of its structure and reactivity. 2-CPBA was found to exist as a cyclized benzoxaborolone adduct rather than a free carboxylic acid. This cyclization has profound consequences for the oxidative stability of the boronic acid. Stereoelectronic effects within the oxaborolone ring destabilize the oxidation transition state by reducing electron donation from the cyclic oxygen to the developing p orbital on boron. That leads to a 10,000-fold increase in oxidative stability while maintaining the normal reactivity of boronic acids toward diols (e.g., carbohydrates) and nucleophiles in proteins while also presenting numerous hydrogen-bond accepting and donating groups. Thus, benzoxaborolones are useful in catalysis, chemical biology, medicinal chemistry, and allied fields.Keywords: bioisosteres, boronic acid, catalysis, oxidative stability, pharmacophore, stereoelectronic effects
Procedia PDF Downloads 189545 Effect of Rubber Treatment on Compressive Strength and Modulus of Elasticity of Self-Compacting Rubberized Concrete
Authors: I. Miličević, M. Hadzima Nyarko, R. Bušić, J. Simonović Radosavljević, M. Prokopijević, K. Vojisavljević
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This paper investigates the effects of different treatment methods of rubber aggregates for self-compacting concrete (SCC) on compressive strength and modulus of elasticity. SCC mixtures with 10% replacement of fine aggregate with crumb rubber by total aggregate volume and with different aggregate treatment methods were investigated. The rubber aggregate was treated in three different methods: dry process, water-soaking, and NaOH treatment plus water soaking. Properties of SCC in a fresh and hardened state were tested and evaluated. Scanning electron microscope (SEM) analysis of three different SCC patches were made and discussed. It was observed that applying the proposed NaOH plus water soaking method resulted in the improvement of fresh and hardened concrete properties. It resulted in a more uniform distribution of rubber particles in the cement matrix, a better bond between rubber particles and the cement matrix, and higher compressive strength of SCC rubberized concrete.Keywords: compressive strength, modulus of elasticity, NaOH treatment, rubber aggregate, self-compacting rubberized concrete, scanning electron microscope analysis
Procedia PDF Downloads 108544 Applying Genetic Algorithm in Exchange Rate Models Determination
Authors: Mehdi Rostamzadeh
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Genetic Algorithms (GAs) are an adaptive heuristic search algorithm premised on the evolutionary ideas of natural selection and genetic. In this study, we apply GAs for fundamental and technical models of exchange rate determination in exchange rate market. In this framework, we estimated absolute and relative purchasing power parity, Mundell-Fleming, sticky and flexible prices (monetary models), equilibrium exchange rate and portfolio balance model as fundamental models and Auto Regressive (AR), Moving Average (MA), Auto-Regressive with Moving Average (ARMA) and Mean Reversion (MR) as technical models for Iranian Rial against European Union’s Euro using monthly data from January 1992 to December 2014. Then, we put these models into the genetic algorithm system for measuring their optimal weight for each model. These optimal weights have been measured according to four criteria i.e. R-Squared (R2), mean square error (MSE), mean absolute percentage error (MAPE) and root mean square error (RMSE).Based on obtained Results, it seems that for explaining of Iranian Rial against EU Euro exchange rate behavior, fundamental models are better than technical models.Keywords: exchange rate, genetic algorithm, fundamental models, technical models
Procedia PDF Downloads 273543 Market Illiquidity and Pricing Errors in the Term Structure of CDS
Authors: Lidia Sanchis-Marco, Antonio Rubia, Pedro Serrano
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This paper studies the informational content of pricing errors in the term structure of sovereign CDS spreads. The residuals from a non-arbitrage model are employed to construct a Price discrepancy estimate, or noise measure. The noise estimate is understood as an indicator of market distress and reflects frictions such as illiquidity. Empirically, the noise measure is computed for an extensive panel of CDS spreads. Our results reveal an important fraction of systematic risk is not priced in default swap contracts. When projecting the noise measure onto a set of financial variables, the panel-data estimates show that greater price discrepancies are systematically related to a higher level of offsetting transactions of CDS contracts. This evidence suggests that arbitrage capital flows exit the marketplace during time of distress, and this consistent with a market segmentation among investors and arbitrageurs where professional arbitrageurs are particularly ineffective at bringing prices to their fundamental values during turbulent periods. Our empirical findings are robust for the most common CDS pricing models employed in the industry.Keywords: credit default swaps, noise measure, illiquidity, capital arbitrage
Procedia PDF Downloads 569542 Dilution Effect in Islamic Finance: The Case of Convertible Sukuk
Authors: Mahfoud Djebbar
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Stock dilution is a financial phenomenon resulting from the issue of additional shares by a company, or when holders convert their convertibles into new shares (capital increase). This issue and/or conversion enlarge the company’s share base that will result in marginal dilution (loss) for existing shareholders, and a benefit to new ones. Dilution issues have already been addressed in mainstream finance, particularly as far as information disclosure is concerned. However, in Islamic finance, stock dilution problems have not been deeply studied and the subject has not received sufficient attention from shariah-compatible firms, investors, and scholars. In this regard, this paper emphasises the forms, the effects of capital dilution on current shareholders as well as the ways and techniques of compensating them. And since the research in this field, in its Islamic perspective, is still in its infancy, the paper tries to analyse the phenomenon theoretically in detail using numerical examples, and expose some case studies of Shariah-compliant issuers of convertible Sukuk and how they compensate their existing shareholders. Finally, this study shows that the Sukuk issuers compensate old shareholders using the right of shuf’ah as a well known and practiced pre-emptive right in Islamic transactions centuries ago, as well as the ways conventional bond issuers use.Keywords: compensating shareholders, convertible Sukuk, Islamic financial innovation, Shuf’ah
Procedia PDF Downloads 339541 Energy-Dense and High-Power Li-Cl₂/I₂ Batteries by Reversible Chemical Bonds
Authors: Pei Li, Chunyi Zhi
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Conversion-type lithium-ion batteries show great potential as high-energy-density, low-cost and sustainable alternatives to current transition-metal-based intercalation cells. Li-Cl₂/Li⁻I₂ conversion batteries, based on anionic redox reactions of Cl⁻/Cl⁰ or I⁻/I⁰, are highly attractive due to their superior voltage and capacity. However, a redox-active and reversible chlorine cathode has not been developed in organic electrolytes. And thermodynamic instability and shuttling issues of iodine cathodes have plagued the active iodine loading, capacity retention and cyclability. By reversible chemical bonds, we develop reversible chlorine redox reactions in organic electrolytes with interhalogen bonds between I and Cl for Li-I₂ batteries and develop a highly thermally stable I/I₃--bonded organic salts with iodine content up to 80% as cathode materials for the rechargeable Li-I₂ batteries. The demonstration of reversible chemical bonds enabled rechargeable Li-halogen batteries opens a new avenue to develop halogen compound cathodes.Keywords: conversion-type, chlorine, halogen cathode, high energy density, iodine, interhalogen bond, lithium-ion batteries
Procedia PDF Downloads 84540 Atmospheric Oxidation of Carbonyls: Insight to Mechanism, Kinetic and Thermodynamic Parameters
Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo
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Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.Keywords: atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic
Procedia PDF Downloads 50539 The Effect of Artificial Intelligence on Accounting and Finance
Authors: Evrime Fawzy Ishak Gadelsayed
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This paper presents resource intake accounting as an inventive manner to cope with control accounting, which concentrates on administrators as the crucial customers of the information and offers satisfactory statistics of conventional control accounting. This machine underscores that the association's asset motivates prices; as a consequence, in costing frameworks, the emphasis ought to be on assets and their usage. Resource consumption accounting consolidates two costing methodologies, action-based totally and the German cost accounting approach called GPK. This methodology, however, is a danger to managers when making the management accounting undertaking operational. The motive for this article is to clarify the concept of resource intake accounting, its elements and highlights and use of this approach in associations. Inside the first area, we present useful resource consumption accounting, the basis, reasons for its improvement, and the issues that are faced beyond costing frameworks. At that point, we deliver the requirements and presumptions of this approach; ultimately, we depict the execution of this approach in associations and its preferences over other costing techniques.Keywords: financial statement fraud, forensic accounting, fraud prevention and detection, auditing, audit expectation gap, corporate governance resource consumption accounting, management accounting, action based method, German cost accounting method
Procedia PDF Downloads 7538 Behavior of Reinforced Soil by Polypropylene Fibers
Authors: M. Kamal Elbokl
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The beneficial effects of reinforcing the subgrade soil in pavement system with randomly distributed polypropylene fibers were investigated. For this issue, two types of soils and one type of fiber were selected. Proctor, CBR and unconfined compression tests were conducted on unreinforced samples as well as reinforced ones at different concentrations and aspect ratio of fibers. OMC, CBR and modulus of elasticity were investigated and thereby, the optimum value of aspect ratio and fiber content were determined. The static and repeated triaxial tests were also conducted to study the behaviour of fiber reinforced soils under both static and repeated loading. The results indicated that CBR values of reinforced sand and clay were 3.1 and 4.2 times of their unreinforced values respectively. The modulus of elasticity of fiber reinforced soils has increased by 100% for silty sandy soil and 60.20% for silty clay soil due to fiber reinforcement. The reinforced soils exhibited higher failure stresses in the static triaxial tests than the unreinforced ones due to the apparent bond developed between soil particle and the fiber. Fiber reinforcement of subgrade soils can play an important role in control the rut formation in the pavement system.Keywords: polypropylene fibers, CBR, static triaxial, cyclic triaxial, resilient strain, permanent strain
Procedia PDF Downloads 623537 Synthesis of 2-Aminoisocoumarinoselenazoles via Transition Metal-Free Alkylation and Ru(II)-Catalyzed [4+2] Alkyne Annulation
Authors: Sunil Kumar, Sandip Dhole, Deepak Salunke, Chung-ming Sun
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Heterocycles bearing nitrogen, oxygen, and selenium are present in innumerable biologically active compounds. For instance, coumarin containing dicoumarol acts as naturally occurring anticoagulant. 2-Acylamido selenazole works as Store-Operated Calcium (SOC) channel regulator. Therefore, due to biologically significance of selenazole and coumarin and our quest to develop efficient methodologies for the synthesis of complex heterocycles, the trisubstituted angular isocoumarinoselenazole synthesis was proposed and achieved by starting from nitrobenzoic acid derivative, available commercially. Synthetic procedure involves three steps: i) the construction of 2-aminobenzoselenazoles, ii) their regioselective N-alkylation at position-2 and iii) alkyne insertion via Ru catalyzed C-H activation. Transition metal free synthesis of benzoselenazoles was successfully brought about by the addition/elimination reaction via intramolecular C-Se bond formation. In the next step, N-alkylation of selenazole furnished two regioisomers. Both the isomers exhibited different reactivity towards [4+2] alkyne annulation reaction. The fusion of α-pyrone ring on the benzo[1,3-d]selenazole skeleton was achieved via Ru(II)-catalyzed C-H activation and alkyne insertion. As evident from mechanism, the selenazole 'N' plays an important role for the experiential selectivity.Keywords: alkylation, alkyne insertion, coumarin, selenazole
Procedia PDF Downloads 125536 The Implementation of Animal Welfare for Garut Sheep Fighting Contest in West Java
Authors: Mustopa, Nadya R. Susilo, Rhizal D. Nuva
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This study aims to determine the application of animal welfare in Garut sheep fighting contest at West Java. This study conducted by survey and discussion methods with 5 Garut sheep owners in the contest. The animal welfare is going to be proved by observing the condition of the cage, the cleanliness of it, the health of the sheep, feeding and water, also owner treatments for their sheep that will be served as a fighter. Observations made using stable conditions ACRES form with assessment scores ranged from 1 = very poor, 2 = poor, 3 = regular, 4 = good and 5 = very good, animal welfare conditions seen by conducting observations and interviews with garut sheep owners. The result shows that the Garut sheep fighting contest has fulfilled the criteria of animal welfare application. Application of animal welfare principle by the owner of Garut sheep terms of ACRES (Animal Concerns Research and Education Society) below standard, the average score obtained was 1.76 which is mean in a very bad ratings. Besides considering the animal welfare application, sheep owners also do special treatments for their Garut sheep with the purpose to produce fighters that are healthy and strong. So, if the sheep wins in Garut sheep fight contest, it will purchase a high-value prices.Keywords: animal welfare, contest, garut sheep, sheep fighting
Procedia PDF Downloads 278535 An Analyze on ISIS Terror Organization: The Reasons That Emerged ISIS and Its Effects on Both Local and Global Security
Authors: Serkan Kocapinar
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Since June 2014, the extremist terrorist group known as the Islamic State of Iraq and the Levant, with its financial resources, as well as the world’s richest in terms of human resources, is a terrorist organization utilizing the most advanced weapons. It has established a state in the occupied region, appointed provincial and district managers, and declared the so-called Caliphate. Despite being a terrorist organization, it is selling the oil which it has seized from the captured regions with low prices. Consequently, it has been achieving great income from these sales. Currently the actual number of terrorists in the area is around from 20,000 to 31,000 according to the CIA assessment. It is estimated that it has extended its domain beyond from the Middle East to the Asia-Pacific coast and has had millions of supporters worldwide. In addition, it is claimed that it has several sleeper cells in some countries and could perform very catastrophic attacks to the countries fighting against it by activating its cells when necessary. The sharp rise of ISIS in just a year has also attracted the attention of terrorist groups such as Boko Haram around the world and some groups expressed their allegiance to ISIS. With this growing power and influence, ISIS is becoming more and more effective threat for not only the region but also for the entire world. The purpose of this study is to show what lies under the rising of ISIS terror organization and how it affects the security concerns.Keywords: ISIS, security, terrorism, threats
Procedia PDF Downloads 293534 Transformation of Glycals to Chiral Fused Aromatic Cores via Annulative π-Extension Reaction with Arynes
Authors: Nazar Hussain, Debaraj Mukherjee
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Carbohydrate-derived chiral intermediates which contain arrays of defined stereocenters have found enormous applications in organic synthesis due to their inherent functional group, stereochemical and structural diversities as well as their ready availability. Stereodiversity of these classes of molecules has motivated synthetic organic chemistry over the years. One major challenge is control of relative configuration during construction of acyclic fragments. Here, we show that The Diels Alder addition of arynes to appropriately substituted vinyl/aryl glycals followed by π-extension via pyran ring opening smoothly furnished meta-disubstituted fused aromatic cores containing a stereo-defined orthogonally protected chiral side chain. The method is broad in terms of aryl homologation affording benzene, naphthalene, and phenanthrene derivatives. Base-induced deprotonation followed by cleavage of the allylic C-O bond appears to be the crucial steps leading to the development of aromaticity, which is the driving force behind the annulative π-extension process. The present protocol can be used for the synthesis of meta-disubstituted naphthalene aldehydes and substrates for aldolases.Keywords: vinyl/C-2 aryl glycal, arynes, cyclization, ring opening
Procedia PDF Downloads 255533 Explanation of the Electron Transfer Mechanism from β-Carotene to N-Pentyl Peroxyl Radical by Density Functional Theory Method
Authors: E. Esra Kasapbaşı, Büşra Yıldırım
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Weak oxidizing radicals, such as alkyl peroxyl derivatives, react with carotenoids through hydrogen atom transfer to form neutral carotenoid radicals. Using the DFT method, it has been observed that s-cis-β-carotene is more stable than all-transforms. In the context of this study, an attempt is made to explain the reaction mechanism of the isomers of β-carotene, which exhibits antioxidant properties, with n-pentyl peroxide, one of the alkyl peroxyl molecules, using the Density Functional Theory (DFT) method. The cis and transforms of β-carotene are used in the study to determine which form is more reactive. For this purpose, Natural Bond Orbital (NBO) charges of all optimized structures are calculated, and electron transfer is determined by examining electron transitions between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO). Additionally, the radical character and reaction mechanism of β-carotene in a radical environment are attempted to be explained based on the calculations. The theoretical inclination of whether β-carotene in cis or transforms is more active in reaction is also discussed. All these calculations are performed in the gas phase using the Integral Equation Formalism Polarizable Continuum Model IEFPCM method with dichloromethane as the solvent.Keywords: β-carotene, n-pentyl peroxyl radical, DFT, TD-DFT
Procedia PDF Downloads 77532 Financial Assessment of the Hard Coal Mining in the Chosen Region in the Czech Republic: Real Options Methodology Application
Authors: Miroslav Čulík, Petr Gurný
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This paper is aimed at the financial assessment of the hard coal mining in a given region by real option methodology application. Hard coal mining in this mine makes net loss for the owner during the last years due to the long-term unfavourable mining conditions and significant drop in the coal prices during the last years. Management is going to shut down the operation and abandon the project to reduce the loss of the company. The goal is to assess whether the shutting down the operation is the only and correct solution of the problem. Due to the uncertainty in the future hard coal price evolution, the production might be again restarted if the price raises enough to cover the cost of the production. For the assessment, real option methodology is applied, which captures two important aspect of the financial decision-making: risk and flexibility. The paper is structured as follows: first, current state is described and problem is analysed. Next, methodology of real options is described. At last, project is evaluated by applying real option methodology. The results are commented and recommendations are provided.Keywords: real option, investment, option to abandon, option to shut down and restart, risk, flexibility
Procedia PDF Downloads 548531 One-Step Time Series Predictions with Recurrent Neural Networks
Authors: Vaidehi Iyer, Konstantin Borozdin
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Time series prediction problems have many important practical applications, but are notoriously difficult for statistical modeling. Recently, machine learning methods have been attracted significant interest as a practical tool applied to a variety of problems, even though developments in this field tend to be semi-empirical. This paper explores application of Long Short Term Memory based Recurrent Neural Networks to the one-step prediction of time series for both trend and stochastic components. Two types of data are analyzed - daily stock prices, that are often considered to be a typical example of a random walk, - and weather patterns dominated by seasonal variations. Results from both analyses are compared, and reinforced learning framework is used to select more efficient between Recurrent Neural Networks and more traditional auto regression methods. It is shown that both methods are able to follow long-term trends and seasonal variations closely, but have difficulties with reproducing day-to-day variability. Future research directions and potential real world applications are briefly discussed.Keywords: long short term memory, prediction methods, recurrent neural networks, reinforcement learning
Procedia PDF Downloads 229530 Multiaxial Stress Based High Cycle Fatigue Model for Adhesive Joint Interfaces
Authors: Martin Alexander Eder, Sergei Semenov
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Many glass-epoxy composite structures, such as large utility wind turbine rotor blades (WTBs), comprise of adhesive joints with typically thick bond lines used to connect the different components during assembly. Performance optimization of rotor blades to increase power output by simultaneously maintaining high stiffness-to-low-mass ratios entails intricate geometries in conjunction with complex anisotropic material behavior. Consequently, adhesive joints in WTBs are subject to multiaxial stress states with significant stress gradients depending on the local joint geometry. Moreover, the dynamic aero-elastic interaction of the WTB with the airflow generates non-proportional, variable amplitude stress histories in the material. Empiricism shows that a prominent failure type in WTBs is high cycle fatigue failure of adhesive bond line interfaces, which in fact over time developed into a design driver as WTB sizes increase rapidly. Structural optimization employed at an early design stage, therefore, sets high demands on computationally efficient interface fatigue models capable of predicting the critical locations prone for interface failure. The numerical stress-based interface fatigue model presented in this work uses the Drucker-Prager criterion to compute three different damage indices corresponding to the two interface shear tractions and the outward normal traction. The two-parameter Drucker-Prager model was chosen because of its ability to consider shear strength enhancement under compression and shear strength reduction under tension. The governing interface damage index is taken as the maximum of the triple. The damage indices are computed through the well-known linear Palmgren-Miner rule after separate rain flow-counting of the equivalent shear stress history and the equivalent pure normal stress history. The equivalent stress signals are obtained by self-similar scaling of the Drucker-Prager surface whose shape is defined by the uniaxial tensile strength and the shear strength such that it intersects with the stress point at every time step. This approach implicitly assumes that the damage caused by the prevailing multiaxial stress state is the same as the damage caused by an amplified equivalent uniaxial stress state in the three interface directions. The model was implemented as Python plug-in for the commercially available finite element code Abaqus for its use with solid elements. The model was used to predict the interface damage of an adhesively bonded, tapered glass-epoxy composite cantilever I-beam tested by LM Wind Power under constant amplitude compression-compression tip load in the high cycle fatigue regime. Results show that the model was able to predict the location of debonding in the adhesive interface between the webfoot and the cap. Moreover, with a set of two different constant life diagrams namely in shear and tension, it was possible to predict both the fatigue lifetime and the failure mode of the sub-component with reasonable accuracy. It can be concluded that the fidelity, robustness and computational efficiency of the proposed model make it especially suitable for rapid fatigue damage screening of large 3D finite element models subject to complex dynamic load histories.Keywords: adhesive, fatigue, interface, multiaxial stress
Procedia PDF Downloads 169529 Regulating the Emerging Platform Economy in Ethiopia: Issues in the Ride-Hailing Platforms
Authors: Nebiat Lemenih Lenger
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Today, the digital economy is evolving faster than ever in Ethiopia. Platforms that provide a ride-hailing service are growing fast in the country. The market welcomed them as they disrupt it with quality services and lower prices. This revolution is, however, not without challenges. These include cybersecurity breaches, facilitating illegal economic activities, and challenging concepts of privacy. To mitigate the risks and utilize the benefits, appropriate regulation should be introduced in the economy. By identifying legal and institutional gaps in Ethiopia`s digital economy, this research work assists the government`s effort to create a better digital economy. Moreover, this study, being a pioneer study in the area, will be an input for further studies in academia. The research employs a qualitative legal research method and analyzes various legal and policy instruments in Ethiopia in comparison with best international experiences. As this research applies a qualitative research method, a grounded theory method of data analysis is used. The research concluded that Ethiopia is far from designing appropriate legal and regulatory infrastructures. Due to the government monopoly of the sector, there is poor digital infrastructure in the country. The existing labor laws have no specific provisions on the rights and obligations of gig workers.Keywords: Ethiopia, gig economy, digital, ride-hailing, regulation
Procedia PDF Downloads 93528 Contextual Paper on Green Finance: Analysis of the Green Bonds Market
Authors: Dina H. Gabr, Mona A. El Bannan
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With growing worldwide concern for global warming, green finance has become the fuel that pushes the world to act in combating and mitigating climate change. Coupled with adopting the Paris Agreement and the United Nations Sustainable Development Goals, Green finance became a vital tool in creating a pathway to sustainable development, as it connects the financial world with environmental and societal benefits. This paper provides a comprehensive review of the concepts and definitions of green finance and the importance of 'green' impact investments today. The core challenge in combating climate change is reducing and controlling Greenhouse gas emissions; therefore, this study explores the solutions green finance provides putting emphasis on the use of renewable energy, which is necessary for enhancing the transition to the green economy. With increasing attention to the concept of green finance, multiple forms of green investments and financial tools have come to fruition; the most prominent are green bonds. The rise of green bonds, a debt market to finance climate solutions, provide a promising mechanism for sustainable finance. Following the review, this paper compiles a comprehensive green bond dataset, presenting a statistical study of the evolution of the green bonds market from its first appearance in 2006 until 2021.Keywords: climate change, GHG emissions, green bonds, green finance, sustainable finance
Procedia PDF Downloads 120527 Installing Photovoltaic Panels to Generate Optimal Energy in SPAV Hostel, Vijayawada
Authors: J. Jayasuriya
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In this research paper, a procedure for installing and assessment of a solar PV plant to generate optimal solar energy SPAV hostel at Vijayawada city was analyzed. The hostel was experiencing power disruption and had a need for an unceasing energy source. The solar panel is one of the best solutions to obtain uninterrupted clean renewable energy for an institutional building as it neither makes din nor pollutes the atmosphere. The electricity usage per month was initially measured to discriminate the energy change. The solar array was installed with its financial and environmental assessment considering recent market prices. All the aspects related to a solar PV plant were considered for the feasibility and efficiency of PV plant near this site i.e., the orientation of the site, the size and shape of the terrace, the sun path were considered while installing panels. Various precautions were taken to intercept the factors which cause interference in energy generation, with respect to temperature, overshadowing, the wiring of panels, pollution etc. The solar panels were frequently installed, monitored and maintained properly to procure optimal energy output. Result obtained with the assessment of the proposed plant and deflation in the electric bill will show the maximal energy that can be generated in a month on that particular site.Keywords: solar efficiency, building sustainability, PV panel, solar energy
Procedia PDF Downloads 136526 An Exploratory Study on Challenges of Public Private Partnership Projects in Oman
Authors: Omar Amoudi, Mariya Khalid
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The limitation of the public funds for the infrastructure projects and with the deterioration of international oil prices and the negative consequences on the economies of oil producing and exporting countries, Oman has encouraged the partnership between the public and private sectors. As the private sector has a role in planning, financing, designing, operating and the maintenance of the public services. There is no doubt that, the adoption of Public Private Partnership (PPP) strategy faces many challenges which might affect the project seriously if it is not overcome in earlier time. These challenges depend on the level of understanding of the strategy, the roles and regulations and the availability of resources as well. This research aims at identifying the challenges facing the PPP infrastructure projects in Oman based on the similar previous studies supported by questionnaire survey and semi structured interviews. It also seeks to discuss the rationale for adoption in Oman and uncover the current status of PPP strategy. The identified challenges were ranked according to the importance index of each challenge. After analysis of data, it has observed that, the main challenges facing PPPs projects in Oman are high participation cost, high projects cost and regulation changes. The PPP strategy has to be adopted well and with a high level of experience in order to ensure a successful implementation of PPP projects in Oman.Keywords: public private partnership (PPP), challenges, infrastructure, Oman
Procedia PDF Downloads 303525 Sepiolite as a Processing Aid in Fibre Reinforced Cement Produced in Hatschek Machine
Authors: R. Pérez Castells, J. M. Carbajo
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Sepiolite is used as a processing aid in the manufacture of fibre cement from the start of the replacement of asbestos in the 80s. Sepiolite increases the inter-laminar bond between cement layers and improves homogeneity of the slurries. A new type of sepiolite processed product, Wollatrop TF/C, has been checked as a retention agent for fine particles in the production of fibre cement in a Hatschek machine. The effect of Wollatrop T/FC on filtering and fine particle losses was studied as well as the interaction with anionic polyacrylamide and microsilica. The design of the experiments were factorial and the VDT equipment used for measuring retention and drainage was modified Rapid Köethen laboratory sheet former. Wollatrop TF/C increased the fine particle retention improving the economy of the process and reducing the accumulation of solids in recycled process water. At the same time, drainage time increased sharply at high concentration, however drainage time can be improved by adjusting APAM concentration. Wollatrop TF/C and microsilica are having very small interactions among them. Microsilica does not control fine particle losses while Wollatrop TF/C does efficiently. Further research on APAM type (molecular weight and anionic character) is advisable to improve drainage.Keywords: drainage, fibre-reinforced cement, fine particle losses, flocculation, microsilica, sepiolite
Procedia PDF Downloads 326524 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study
Authors: Ankur Chaudhuri, Sibani Sen Chakraborty
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In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation
Procedia PDF Downloads 131523 In Search of Zero Beta Assets: Evidence from the Sukuk Market
Authors: Andrea Paltrinieri, Alberto Dreassi, Stefano Miani, Alex Sclip
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The financial crises caused a collapse in prices of most asset classes, raising the attention on alternative investments such as Sukuk, a smaller, fast growing but often misunderstood market. We study diversification benefits of Sukuk, their correlation with other asset classes and the effects of their inclusion in investment portfolios of institutional and retail investors, through a comprehensive comparison of their risk/return profiles during and after the financial crisis. We find a beneficial performance adjusted for the specific volatility together with a lower correlation especially during the financial crisis. The distribution of Sukuk returns is positively skewed and leptokurtic, with a risk/return profile similarly to high yield bonds. Overall, our results suggest that Sukuk present diversification opportunities, a significant volatility-adjusted performance and lower correlations especially during the financial crisis. Our findings are relevant for a number of institutional investors. Long term investors, such as life insurers would benefit from Sukuk’s protective features during financial crisis yet keeping return and growth opportunities, whereas banks would gain due to their role of placers, advisors, market makers or underwriters.Keywords: sukuk, zero beta asset, asset allocation, sukuk market
Procedia PDF Downloads 477