Search results for: weather derivatives
1253 Numerical Solution of Magneto-Hydrodynamic Flow of a Viscous Fluid in the Presence of Nanoparticles with Fractional Derivatives through a Cylindrical Tube
Authors: Muhammad Abdullah, Asma Rashid Butt, Nauman Raza
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Biomagnetic fluids like blood play key role in different applications of medical science and bioengineering. In this paper, the magnetohydrodynamic flow of a viscous fluid with magnetic particles through a cylindrical tube is investigated. The fluid is electrically charged in the presence of a uniform external magnetic field. The movement in the fluid is produced due to the cylindrical tube. Initially, the fluid and tube are at rest and at time t=0⁺, the tube starts to move along its axis. To obtain the mathematical model of flow with fractional derivatives fractional calculus approach is used. The solution of the flow model is obtained by using Laplace transformation. The Simon's numerical algorithm is employed to obtain inverse Laplace transform. The hybrid technique, we are employing has less computational effort as compared to other methods. The numerical calculations have been performed with Mathcad software. As the special cases of our problem, the solution of flow model with ordinary derivatives and flow without magnetic particles has been procured. Finally, the impact of non-integer fractional parameter alpha, Hartmann number Ha, and Reynolds number Re on flow and magnetic particles velocity is analyzed and depicted by graphs.Keywords: viscous fluid, magnetic particles, fractional calculus, laplace transformation
Procedia PDF Downloads 2011252 Uncertainty in Risk Modeling
Authors: Mueller Jann, Hoffmann Christian Hugo
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Conventional quantitative risk management in banking is a risk factor of its own, because it rests on assumptions such as independence and availability of data which do not hold when rare events of extreme consequences are involved. There is a growing recognition of the need for alternative risk measures that do not make these assumptions. We propose a novel method for modeling the risk associated with investment products, in particular derivatives, by using a formal language for specifying financial contracts. Expressions in this language are interpreted in the category of values annotated with (a formal representation of) uncertainty. The choice of uncertainty formalism thus becomes a parameter of the model, so it can be adapted to the particular application and it is not constrained to classical probabilities. We demonstrate our approach using a simple logic-based uncertainty model and a case study in which we assess the risk of counter party default in a portfolio of collateralized loans.Keywords: risk model, uncertainty monad, derivatives, contract algebra
Procedia PDF Downloads 5731251 Rainstorm Characteristics over the Northeastern Region of Thailand: Weather Radar Analysis
Authors: P. Intaracharoen, P. Chantraket, C. Detyothin, S. Kirtsaeng
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Radar reflectivity data from Phimai weather radar station of DRRAA (Department of Royal Rainmaking and Agricultural Aviation) were used to analyzed the rainstorm characteristics via Thunderstorm Identification Tracking Analysis and Nowcasting (TITAN) algorithm. The Phimai weather radar station was situated at Nakhon Ratchasima province, northeastern Thailand. The data from 277 days of rainstorm events occurring from May 2016 to May 2017 were used to investigate temporal distribution characteristics of convective individual rainclouds. The important storm properties, structures, and their behaviors were analyzed by 9 variables as storm number, storm duration, storm volume, storm area, storm top, storm base, storm speed, storm orientation, and maximum storm reflectivity. The rainstorm characteristics were also examined by separating the data into two periods as wet and dry season followed by an announcement of TMD (Thai Meteorological Department), under the influence of southwest monsoon (SWM) and northeast monsoon (NEM). According to the characteristics of rainstorm results, it can be seen that rainstorms during the SWM influence were found to be the most potential rainstorms over northeastern region of Thailand. The SWM rainstorms are larger number of the storm (404, 140 no./day), storm area (34.09, 26.79 km²) and storm volume (95.43, 66.97 km³) than NEM rainstorms, respectively. For the storm duration, the average individual storm duration during the SWM and NEM was found a minor difference in both periods (47.6, 48.38 min) and almost all storm duration in both periods were less than 3 hours. The storm velocity was not exceeding 15 km/hr (13.34 km/hr for SWM and 10.67 km/hr for NEM). For the rainstorm reflectivity, it was found a little difference between wet and dry season (43.08 dBz for SWM and 43.72 dBz for NEM). It assumed that rainstorms occurred in both seasons have same raindrop size.Keywords: rainstorm characteristics, weather radar, TITAN, Northeastern Thailand
Procedia PDF Downloads 1891250 Exploring the Bifunctional Organocatalysts for Asymmetric Synthesis of 3-Substituted-3-Aminooxindoles
Authors: Jasneet Kaur, Swapandeep Singh Chimni
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The unfavorable use of metal-based catalysts that are often extortionate and toxic can be overcome by using small organic molecules known as organocatalysts. A variety of small organic molecules, including Brønsted/Lewis bases and acids, based on sulfonic acids, phosphoric acids, amines, phosphines or carbenes, Cinchona alkaloids, have been used as organocatalysts. One of the key reasons for using organocatalysis is their ability to be effectively removed from the final product in comparison to the metallic counterparts, which are exceedingly difficult to remove. The present investigation seeks to explore the catalytic nature of Cinchona alkaloids as an organocatalyst for enantioselective synthesis of 3-substituted-3-aminooxindole, which is known to exhibit a variety of biological activities and pharmacological activities. In this context, an organocatalytic asymmetric route for the synthesis of 3-aminooxindoles via reaction of isatin imine with α-acetoxy-β-ketoesters has been developed. The bifunctional Cinchona derived thiourea catalyzed the reaction of α-acetoxy-β-ketoesters derivatives with isatin imine to afford 3-substituted-aminooxindole derivatives in up to 93% yield, 95% enantiomeric excess and >20:1 diastereomeric ratio. The reaction was performed at room temperature for two hours using 10 mol% of catalyst, in the presence of 4Å molecular sieves in tetrahydrofuran as a solvent at ambient temperature. After the completion of the reaction, the pure product could be easily separated by using column chromatography using hexane and ethyl acetate as solvents. In conclusion, the catalytic potential of Cinchona derived chiral thiourea-tertiary amine catalyst was explored for an organocatalytic enantioselective Mannich reaction of β-ketoester derivatives with various isatin imine derivatives under mild conditions.Keywords: asymmetric synthesis, aminooxindoles, enantioselective, isatin imine
Procedia PDF Downloads 1121249 A Case Study of Typhoon Tracks: Insights from the Interaction between Typhoon Hinnamnor and Ocean Currents in 2022
Authors: Wei-Kuo Soong
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The forecasting of typhoon tracks remains a formidable challenge, primarily attributable to the paucity of observational data in the open sea and the intricate influence of weather systems at varying scales. This study investigates the case of Typhoon Hinnamnor in 2022, examining its trajectory and intensity fluctuations in relation to the interaction with a concurrent tropical cyclone and sea surface temperatures (SST). Utilizing the Weather Research and Forecasting Model (WRF), to simulate and analyze the interaction between Typhoon Hinnamnor and its environmental factors, shedding light on the mechanisms driving typhoon development and enhancing forecasting capabilities.Keywords: typhoon, sea surface temperature, forecasting, WRF
Procedia PDF Downloads 511248 Quantum Chemical Calculations on Molecular Structure, Spectroscopy and Non-Linear Optical Properties of Some Chalcone Derivatives
Authors: Archana Gupta, Rajesh Kumar
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The chemistry of chalcones has generated intensive scientific studies throughout the world. Especially, interest has been focused on the synthesis and biodynamic activities of chalcones. The blue light transmittance, excellent crystallizability and the two planar rings connected through a conjugated double bond show that chalcone derivatives are superior nonlinear organic compounds. 3-(2-Chloro-6-fluoro¬phen¬yl)-1-(2-thien¬yl) prop-2-en-1-one, 3-(2, 4- Dichlorophenyl) – 1 - (4-methylphenyl) – prop -2-en-1-one, (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one are some chalcone derivatives exhibiting non linear optical (NLO) properties. NLO materials have been extensively investigated in recent years as they are the key elements for photonic technologies of optical communication, optical interconnect oscillator, amplifier, frequency converter etc. Due to their high molecular hyperpolarizabilities, organic materials display a number of significant NLO properties. Experimental measurements and theoretical calculations on molecular hyperpolarizability β have become one of the key factors in the design of second order NLO materials. Theoretical determination of hyperpolarizability is quite useful both in understanding the relationship between the molecular structure and NLO properties. It also provides a guideline to experimentalists for the design and synthesis of organic NLO materials. Quantum-chemical calculations have made an important contribution to the understanding of the electronic polarization underlying the molecular NLO processes and the establishment of structure–property relationships. In the present investigation, the detailed vibrational analysis of some chalcone derivatives is taken up to understand the correlation of the charge transfer interaction and the NLO activity of the molecules based on density functional theory calculations. The vibrational modes contributing toward the NLO activity have been identified and analyzed. Rather large hyperpolarizability derived by theoretical calculations suggests the possible future use of these compounds for non-linear optical applications. The study suggests the importance of π - conjugated systems for non-linear optical properties and the possibility of charge transfer interactions. We hope that the results of the present study of chalcone derivatives are of assistance in development of new efficient materials for technological applications.Keywords: hyperpolarizability, molecular structure, NLO material, quantum chemical calculations
Procedia PDF Downloads 2321247 A Study on Vulnerability of Alahsa Governorate to Generate Urban Heat Islands
Authors: Ilham S. M. Elsayed
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The purpose of this study is to investigate Alahsa Governorate status and its vulnerability to generate urban heat islands. Alahsa Governorate is a famous oasis in the Arabic Peninsula including several oil centers. Extensive literature review was done to collect previous relative data on the urban heat island of Alahsa Governorate. Data used for the purpose of this research were collected from authorized bodies who control weather station networks over Alahsa Governorate, Eastern Province, Saudi Arabia. Although, the number of weather station networks within the region is very limited and the analysis using GIS software and its techniques is difficult and limited, the data analyzed confirm an increase in temperature for more than 2 °C from 2004 to 2014. Such increase is considerable whenever human health and comfort are the concern. The increase of temperature within one decade confirms the availability of urban heat islands. The study concludes that, Alahsa Governorate is vulnerable to create urban heat islands and more attention should be drawn to strategic planning of the governorate that is developing with a high pace and considerable increasing levels of urbanization.Keywords: Alahsa Governorate, population density, Urban Heat Island, weather station
Procedia PDF Downloads 2481246 Hedging and Corporate Governance: Lessons from the Financial Crisis
Authors: Rodrigo Zeidan
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The paper identifies failures of decision making and corporate governance that allow non-financial companies around the world to develop hedging strategies that lead to hefty losses in the aftermath of the financial crisis. The sample is comprised of 346 companies from 10 international markets, of which 49 companies (and a subsample of 13 distressed companies) lose a combined US$18.9 billion. An event study shows that most companies that present losses in derivatives experience negative abnormal returns, including a number of companies in which the effect is persistent after a year. The results of a probit model indicate that the lack of a formal hedging policy, no monitoring to the CFOs, and considerations of hubris and remuneration contribute to the mismanagement of hedging policies.Keywords: risk management, hedging, derivatives, monitoring, corporate governance structure, event study, hubris
Procedia PDF Downloads 4401245 Optimization of Fourth Order Discrete-Approximation Inclusions
Authors: Elimhan N. Mahmudov
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The paper concerns the necessary and sufficient conditions of optimality for Cauchy problem of fourth order discrete (PD) and discrete-approximate (PDA) inclusions. The main problem is formulation of the fourth order adjoint discrete and discrete-approximate inclusions and transversality conditions, which are peculiar to problems including fourth order derivatives and approximate derivatives. Thus the necessary and sufficient conditions of optimality are obtained incorporating the Euler-Lagrange and Hamiltonian forms of inclusions. Derivation of optimality conditions are based on the apparatus of locally adjoint mapping (LAM). Moreover in the application of these results we consider the fourth order linear discrete and discrete-approximate inclusions.Keywords: difference, optimization, fourth, approximation, transversality
Procedia PDF Downloads 3721244 Caputo-Type Fuzzy Fractional Riccati Differential Equations with Fuzzy Initial Conditions
Authors: Trilok Mathur, Shivi Agarwal
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This paper deals with the solutions of fuzzy-fractional-order Riccati equations under Caputo-type fuzzy fractional derivatives. The Caputo-type fuzzy fractional derivatives are defined based on Hukuhura difference and strongly generalized fuzzy differentiability. The Laplace-Adomian-Pade method is used for solving fractional Riccati-type initial value differential equations of fractional order. Moreover, we also displayed some examples to illustrate our methods.Keywords: Caputo-type fuzzy fractional derivative, Fractional Riccati differential equations, Laplace-Adomian-Pade method, Mittag Leffler function
Procedia PDF Downloads 3931243 Analysis of Weather Variability Impact on Yields of Some Crops in Southwest, Nigeria
Authors: Olumuyiwa Idowu Ojo, Oluwatobi Peter Olowo
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The study developed a Geographical Information Systems (GIS) database and mapped inter-annual changes in crop yields of cassava, cowpea, maize, rice, melon and yam as a response to inter-annual rainfall and temperature variability in Southwest, Nigeria. The aim of this project is to study the comparative analysis of the weather variability impact of six crops yield (Rice, melon, yam, cassava, Maize and cowpea) in South Western States of Nigeria (Oyo, Osun, Ekiti, Ondo, Ogun and Lagos) from 1991 – 2007. The data was imported and analysed in the Arch GIS 9 – 3 software environment. The various parameters (temperature, rainfall, crop yields) were interpolated using the kriging method. The results generated through interpolation were clipped to the study area. Geographically weighted regression was chosen from the spatial statistics toolbox in Arch GIS 9.3 software to analyse and predict the relationship between temperature, rainfall and the different crops (Cowpea, maize, rice, melon, yam, and cassava).Keywords: GIS, crop yields, comparative analysis, temperature, rainfall, weather variability
Procedia PDF Downloads 3221242 Coastal Flood Mapping of Vulnerability Due to Sea Level Rise and Extreme Weather Events: A Case Study of St. Ives, UK
Authors: S. Vavias, T. R. Brewer, T. S. Farewell
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Coastal floods have been identified as an important natural hazard that can cause significant damage to the populated built-up areas, related infrastructure and also ecosystems and habitats. This study attempts to fill the gap associated with the development of preliminary assessments of coastal flood vulnerability for compliance with the EU Directive on the Assessment and Management of Flood Risks (2007/60/EC). In this context, a methodology has been created by taking into account three major parameters; the maximum wave run-up modelled from historical weather observations, the highest tide according to historic time series, and the sea level rise projections due to climate change. A high resolution digital terrain model (DTM) derived from LIDAR data has been used to integrate the estimated flood events in a GIS environment. The flood vulnerability map created shows potential risk areas and can play a crucial role in the coastal zone planning process. The proposed method has the potential to be a powerful tool for policy and decision makers for spatial planning and strategic management.Keywords: coastal floods, vulnerability mapping, climate change, extreme weather events
Procedia PDF Downloads 3941241 Preparation, Characterization, and Antimicrobial Activity of Carboxymethyl Chitosan Schiff Bases with Different Benzaldehyde Derivatives
Authors: Nadia A. Mohamed, Magdy W. Sabaa, Ahmed H. H. El-Ghandour, Marwa M. Abdel-Aziz, Omayma F. Abdel-Gawad
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Eighteen carboxymethyl chitosan (CMCh) schiff bases and their reduced derivatives have been synthesized. They were characterized by spectral analyses (FT-IR and H1-NMR) and scanning electron microscopy observation. Their antibacterial activities against Streptococcus pneumoniae (RCMB 010010), Bacillis subtilis (RCMB 010067), as Gram positive bacteria and Escherichia coli (RCMB 010052) as Gram negative bacteria and the antifungal activity against Aspergillus fumigatus (RCMB 02568), Geotricum candidum (RCMB 05097), and Candida albicans (RCMB 05031) were examined using agar disk diffusion method. The results demonstrate how the antibacterial and the antifungal activity are clearly affected by both the nature and position of the substituent groups in the aryl ring of the prepared derivatives. CMCh-4-nitroBenz Schiff base and its reduced form show higher antimicrobial activity comparing with other para substituted derivatives. CMCh-4-nitroBenz Schiff base: 18.3, 17, and 15.6 mm against Bacillis subtilis, Streptococcus pneumonia, and Escherichia coli respectively and 16.2, 17.3, and 16.4 mm against Aspergillus fumigates, Geotricum candidum, and Candida albicans respectively. CMCh-4-nitroBenz reduced form: 19.5, 18.7, and 16.2 mm against Bacillis subtilis, Streptococcus pneumonia, and Escherichia coli respectively and 17.5, 19.5, and 17.4 mm against Aspergillus fumigates, Geotricum candidum, and Candida albicans respectively. Also CMCh-3-bromoBenz show good results; CMCh-3-bromoBenz schiff base: 19.2, 16.9, and 14.6 mm Bacillis subtilis, Streptococcus pneumonia, and Escherichia coli respectively and 18.4, 17.6, and 15.9 mm against Aspergillus fumigates, Geotricum candidum, and Candida albicans respectively.Keywords: chitosan, schiff base, minimum inhibition concentration, antimicrobial activity
Procedia PDF Downloads 4561240 Derivative Usage, Ownership Structure, and Bank Value in European Countries
Authors: Chuang-Chang Chang, Keng-Yu Ho, Yu-Jen Hsiao, Hsin-Ni Yang
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Using a sample of detailed ownership data of 1,032 listed commercial bank observations in 30 European countries from 2004 to 2010, we explore what categories of shareholder are more likely to use derivatives and how different types of owners affect the bank value. We find that a shift in equity from bank investors to either non-financial companies or institutional investors have increase incentives to use derivatives. Moreover, we have significant evidence that a shift in equity from bank investors to either family or manager shareholders who attend derivative activities will decrease bank value. However, a shift in equity from bank investors to non-financial companies who use derivative instrument will increase the bank value. Our results are also robustness to address for the potential endogeneity problems.Keywords: derivative usage, ownership structure, bank value
Procedia PDF Downloads 3451239 Quantitative Structure–Activity Relationship Analysis of Some Benzimidazole Derivatives by Linear Multivariate Method
Authors: Strahinja Z. Kovačević, Lidija R. Jevrić, Sanja O. Podunavac Kuzmanović
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The relationship between antibacterial activity of eighteen different substituted benzimidazole derivatives and their molecular characteristics was studied using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on inhibitory activity towards Staphylococcus aureus, by using molecular descriptors, as well as minimal inhibitory activity (MIC). Molecular descriptors were calculated from the optimized structures. Principal component analysis (PCA) followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR) was performed in order to select molecular descriptors that best describe the antibacterial behavior of the compounds investigated, and to determine the similarities between molecules. The HCA grouped the molecules in separated clusters which have the similar inhibitory activity. PCA showed very similar classification of molecules as the HCA, and displayed which descriptors contribute to that classification. MLR equations, that represent MIC as a function of the in silico molecular descriptors were established. The statistical significance of the estimated models was confirmed by standard statistical measures and cross-validation parameters (SD = 0.0816, F = 46.27, R = 0.9791, R2CV = 0.8266, R2adj = 0.9379, PRESS = 0.1116). These parameters indicate the possibility of application of the established chemometric models in prediction of the antibacterial behaviour of studied derivatives and structurally very similar compounds.Keywords: antibacterial, benzimidazole, molecular descriptors, QSAR
Procedia PDF Downloads 3611238 In Silico Exploration of Quinazoline Derivatives as EGFR Inhibitors for Lung Cancer: A Multi-Modal Approach Integrating QSAR-3D, ADMET, Molecular Docking, and Molecular Dynamics Analyses
Authors: Mohamed Moussaoui
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A series of thirty-one potential inhibitors targeting the epidermal growth factor receptor kinase (EGFR), derived from quinazoline, underwent 3D-QSAR analysis using CoMFA and CoMSIA methodologies. The training and test sets of quinazoline derivatives were utilized to construct and validate the QSAR models, respectively, with dataset alignment performed using the lowest energy conformer of the most active compound. The best-performing CoMFA and CoMSIA models demonstrated impressive determination coefficients, with R² values of 0.981 and 0.978, respectively, and Leave One Out cross-validation determination coefficients, Q², of 0.645 and 0.729, respectively. Furthermore, external validation using a test set of five compounds yielded predicted determination coefficients, R² test, of 0.929 and 0.909 for CoMFA and CoMSIA, respectively. Building upon these promising results, eighteen new compounds were designed and assessed for drug likeness and ADMET properties through in silico methods. Additionally, molecular docking studies were conducted to elucidate the binding interactions between the selected compounds and the enzyme. Detailed molecular dynamics simulations were performed to analyze the stability, conformational changes, and binding interactions of the quinazoline derivatives with the EGFR kinase. These simulations provided deeper insights into the dynamic behavior of the compounds within the active site. This comprehensive analysis enhances the understanding of quinazoline derivatives as potential anti-cancer agents and provides valuable insights for lead optimization in the early stages of drug discovery, particularly for developing highly potent anticancer therapeuticsKeywords: 3D-QSAR, CoMFA, CoMSIA, ADMET, molecular docking, quinazoline, molecular dynamic, egfr inhibitors, lung cancer, anticancer
Procedia PDF Downloads 461237 Investigation of Acidizing Corrosion Inhibitors for Mild Steel in Hydrochloric Acid: Theoretical and Experimental Approaches
Authors: Ambrish Singh
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The corrosion inhibition performance of pyran derivatives (AP) on mild steel in 15% HCl was investigated by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, weight loss, contact angle, and scanning electron microscopy (SEM) measurements, DFT and molecular dynamic simulation. The adsorption of APs on the surface of mild steel obeyed Langmuir isotherm. The potentiodynamic polarization study confirmed that inhibitors are mixed type with cathodic predominance. Molecular dynamic simulation was applied to search for the most stable configuration and adsorption energies for the interaction of the inhibitors with Fe (110) surface. The theoretical data obtained are, in most cases, in agreement with experimental results.Keywords: acidizing inhibitor, pyran derivatives, DFT, molecular simulation, mild steel, EIS
Procedia PDF Downloads 1931236 Identifying Critical Links of a Transport Network When Affected by a Climatological Hazard
Authors: Beatriz Martinez-Pastor, Maria Nogal, Alan O'Connor
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During the last years, the number of extreme weather events has increased. A variety of extreme weather events, including river floods, rain-induced landslides, droughts, winter storms, wildfire, and hurricanes, have threatened and damaged many different regions worldwide. These events have a devastating impact on critical infrastructure systems resulting in high social, economical and environmental costs. These events have a huge impact in transport systems. Since, transport networks are completely exposed to every kind of climatological perturbations, and its performance is closely related with these events. When a traffic network is affected by a climatological hazard, the quality of its service is threatened, and the level of the traffic conditions usually decreases. With the aim of understanding this process, the concept of resilience has become most popular in the area of transport. Transport resilience analyses the behavior of a traffic network when a perturbation takes place. This holistic concept studies the complete process, from the beginning of the perturbation until the total recovery of the system, when the perturbation has finished. Many concepts are included in the definition of resilience, such as vulnerability, redundancy, adaptability, and safety. Once the resilience of a transport network can be evaluated, in this case, the methodology used is a dynamic equilibrium-restricted assignment model that allows the quantification of the concept, the next step is its improvement. Through the improvement of this concept, it will be possible to create transport networks that are able to withstand and have a better performance under the presence of climatological hazards. Analyzing the impact of a perturbation in a traffic network, it is observed that the response of the different links, which are part of the network, can be completely different from one to another. Consequently and due to this effect, many questions arise, as what makes a link more critical before an extreme weather event? or how is it possible to identify these critical links? With this aim, and knowing that most of the times the owners or managers of the transport systems have limited resources, the identification of the critical links of a transport network before extreme weather events, becomes a crucial objective. For that reason, using the available resources in the areas that will generate a higher improvement of the resilience, will contribute to the global development of the network. Therefore, this paper wants to analyze what kind of characteristic makes a link a critical one when an extreme weather event damages a transport network and finally identify them.Keywords: critical links, extreme weather events, hazard, resilience, transport network
Procedia PDF Downloads 2831235 Thermosalient Effect of an Organic Aminonitrile and its Derivatives
Authors: Lukman O. Alimi, Vincent J. Smith, Leonard J. Barbour
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The thermosalient effect is an extremely rare propensity of certain crystalline solids for self-actuation by elastic deformation or a ballistic event1. Thermosalient compounds, colloquially known as ‘jumping crystals’ are promising materials for fabrication of actuators that are also being considered as materials for clean energy conversion because of their capabilities to convert thermal energy into mechanical motion directly. Herein, an organic aminonitrile and its derivatives have been probed by a combination of structural, microscopic and thermoanalytical techniques. Crystals of these compounds were analysed by means of single crystal XRD and hotstage microscopy in the temperature range of 100 to 298 K and found to exhibit the thermosalient effect. We also carried out differential scanning calorimetric analysis at the temperature corresponding to that at which the crystal jumps as observed under a hotstage microscope.Keywords: aminonitrile, jumping crystal, self actuation, thermosalient effect
Procedia PDF Downloads 4311234 A Vehicle Monitoring System Based on the LoRa Technique
Authors: Chao-Linag Hsieh, Zheng-Wei Ye, Chen-Kang Huang, Yeun-Chung Lee, Chih-Hong Sun, Tzai-Hung Wen, Jehn-Yih Juang, Joe-Air Jiang
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Air pollution and climate warming become more and more intensified in many areas, especially in urban areas. Environmental parameters are critical information to air pollution and weather monitoring. Thus, it is necessary to develop a suitable air pollution and weather monitoring system for urban areas. In this study, a vehicle monitoring system (VMS) based on the IoT technique is developed. Cars are selected as the research tool because it can reach a greater number of streets to collect data. The VMS can monitor different environmental parameters, including ambient temperature and humidity, and air quality parameters, including PM2.5, NO2, CO, and O3. The VMS can provide other information, including GPS signals and the vibration information through driving a car on the street. Different sensor modules are used to measure the parameters and collect the measured data and transmit them to a cloud server through the LoRa protocol. A user interface is used to show the sensing data storing at the cloud server. To examine the performance of the system, a researcher drove a Nissan x-trail 1998 to the area close to the Da’an District office in Taipei to collect monitoring data. The collected data are instantly shown on the user interface. The four kinds of information are provided by the interface: GPS positions, weather parameters, vehicle information, and air quality information. With the VMS, users can obtain the information regarding air quality and weather conditions when they drive their car to an urban area. Also, government agencies can make decisions on traffic planning based on the information provided by the proposed VMS.Keywords: LoRa, monitoring system, smart city, vehicle
Procedia PDF Downloads 4111233 Optimizing Protection of Medieval Glass Mosaic
Authors: J. Valach, S. Pospisil, S. Kuznecov
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The paper deals with experimental estimation of future environmental load on medieval mosaic of Last Judgement on entrance to St. Vitus cathedral on Prague castle. The mosaic suffers from seasonal changes of weather pattern, as well as rains, their acidity, deposition of dust and sooth particles from polluted air and also from freeze-thaw cycles. These phenomena influence state of the mosaic. The mosaic elements, tesserae are mostly made from glass prone to weathering. To estimate future procedure of the best maintenance, relation between various weather scenarios and their effect on the mosaic was investigated. At the same time local method for evaluation of protective coating was developed. Together both methods will contribute to better care for the mosaic and also visitors aesthetical experience.Keywords: environmental load, cultural heritage, glass mosaic, protection
Procedia PDF Downloads 2761232 Synthesis, Antibacterial Activities, and Synergistic Effects of Novel Juglone and Naphthazarin Derivatives Against Clinical Methicillin-Resistant Staphylococcus aureus Strains
Authors: Zohra Benfodda, Valentin Duvauchelle, Chaimae Majdi, David Bénimélis, Catherine Dunyach-Remy, Patrick Meffre
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New antibiotics are necessary to treat microbial pathogens, especially ESKAPE pathogens that are becoming increasingly resistant to available treatment. Despite the medical need, the number of newly approved drugs continues to decline. The majority of antibiotics under clinical development are natural products or derivatives thereof. 43 juglone/naphthazarin derivatives were synthesized using Minisci-type direct C–H alkylation and evaluated for their antibacterial properties against various clinical and reference Gram-positive MSSA, clinical Gram-positive MRSA. Different compounds of the synthesized series showed promising activity against clinical and reference MSSA (MIC: 1–8 μg/ml) and good efficacy against clinical MRSA (MIC: 2–8 μg/ml) strains. The synergistic effects of active compounds were evaluated with reference antibiotics (vancomycin and cloxacillin), and it was found that the antibiotic combination with those active compounds efficiently enhanced the antimicrobial activity and consequently the MIC values of reference antibiotics were lowered up to 1/16th of the original MIC. These synthesized compounds did not present hemolytic activity on sheep red blood cells. In addition to the in silico prediction of ADME profile parameter which is promising and encouraging for further development.Keywords: juglone, naphthazarin, antibacterial, clinical MRSA, synergistic studies, MIC determination
Procedia PDF Downloads 1231231 Comparison of Two Different Methods for Peptide Synthesis
Authors: Klaudia Chmielewska, Krystyna Dzierzbicka, Iwona Inkielewicz-Stepniak
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Carnosine, an endogenous peptide consisting of β-alanine and L-histidine has a variety of functions to mention: antioxidant, antiglycation, and reducing the toxicity of metal ions. It has therefore been proposed to act as a therapeutic agent for many pathological states, although its therapeutic index is limited by quick enzymatic cleavage. To overcome this limitation, there’s an urge to create new derivatives which might become less potent to hydrolysis, while preserving the therapeutic effect. The poster summarizes the efficiency of two peptide synthesis methods, which were: (1) the mixed anhydride with isobutyl chloroformate and N-methylmorpholine (NMM) and (2) carbodiimide - mediated coupling method via appropriate reagent condensing, here – CDI. The methods were used to obtain dipeptides which were the derivatives of carnosine. Obtained dipeptides were made in the form of methyl esters and their structures will be confirmed 1H NMR, 13C NMR, MS and elemental analysis techniques. Later on, they will be analyzed for their antioxidant properties, in comparison to carnosine.Keywords: carnosine, method, peptide, synthesis
Procedia PDF Downloads 1581230 Synthesis and Use of Thiourea Derivative (1-Phenyl-3- Benzoyl-2-Thiourea) for Extraction of Cadmium Ion
Authors: Abdulfattah M. Alkherraz, Zaineb I. Lusta, Ahmed E. Zubi
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The environmental pollution by heavy metals became more problematic nowadays. To solve the problem of Cadmium accumulation in human organs which lead to dangerous effects on human health, and to determine its concentration, the organic legand 1-phenyl-3-benzoyl-2-thiourea was used to extract the cadmium ions from its solution. This legand as one of thiourea derivatives was successfully synthesized. The legand was characterized by NMR and CHN elemental analysis, and used to extract the cadmium from its solutions by formation of a stable complex at neutral pH. The complex was characterized by elemental analysis and melting point. The concentrations of cadmium ions before and after the extraction were determined by Atomic Absorption Spectrophotometer (AAS). The data show the percentage of the extract was more than 98.7% of the concentration of cadmium used in the study.Keywords: thiourea derivatives, cadmium extraction, water, environment
Procedia PDF Downloads 3481229 Evaluation of Mutagenic and Antimutagenic Activities of Some Biological Active Benzoxazoles in the Ames Test
Authors: Özlem Arpacı, Zeliha Soysal, Nuran Diril
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Benzoxazoles are heterocyclic compounds that have a fused benzene and an oxazole ring. These heterocyclic compounds are reported to have antibacterial, antitubercular, antifungal, antiviral, antioxidant and anticancer activities. In this study, some benzoxazole derivatives that have broad antimicrobial and potent antitumoral activities, are investigated their mutagenic activities with using the Ames Test. The Ames test was conducted using Salmonella typhimurium TA98, TA100 and TA102 tester strains in the standard plate incorporation assay in the absence of liver S9 fraction. The results are evaluated using SPSS and none of the benzoxazole derivatives showed mutagenic activity using the Ames test in the absence of S9 liver fraction.Keywords: benzoxazoles, ames test, mutagenic activity, antimutagenic activity, antitumoral activity
Procedia PDF Downloads 3421228 Improving the Aqueous Solubility of Taxol through Altering XLOGP3
Authors: Arianna Zhu, Thomas Bakupog
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Taxol (generic name paclitaxel) is an antineoplastic drug used to treat breast, lung, and ovarian cancer. It performs exceptionally well against a wide variety of tumors, including B16 melanoma, L1210 and P388 leukemias, MX-1 mammary tumors, and CX-1 colon tumor xenografts. However, despite taxol’s efficacy in antitumor activity, its aqueous solubility is extremely poor, decreasing its bioavailability and making it difficult for the body to absorb. The objective of this study is to improve the solubility of taxol, thus increasing the bioavailability of the drug in preventing cancer. By modifying the structure of taxol, four novel taxol derivatives were created with improved solubilities. Two of the derivatives were given an additional hydrogen donor and acceptor and thus showed a pronounced positive change in solubility. The results of this work solve the issue of taxol’s inadequate solubility and show potential in increasing the absorption of the drug.Keywords: Taxol, Solubility, improving bioavailability, logP
Procedia PDF Downloads 651227 Studying Language of Immediacy and Language of Distance from a Corpus Linguistic Perspective: A Pilot Study of Evaluation Markers in French Television Weather Reports
Authors: Vince Liégeois
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Language of immediacy and distance: Within their discourse theory, Koch & Oesterreicher establish a distinction between a language of immediacy and a language of distance. The former refers to those discourses which are oriented more towards a spoken norm, whereas the latter entails discourses oriented towards a written norm, regardless of whether they are realised phonically or graphically. This means that an utterance can be realised phonically but oriented more towards the written language norm (e.g., a scientific presentation or eulogy) or realised graphically but oriented towards a spoken norm (e.g., a scribble or chat messages). Research desiderata: The methodological approach from Koch & Oesterreicher has often been criticised for not providing a corpus-linguistic methodology, which makes it difficult to work with quantitative data or address large text collections within this research paradigm. Consequently, the Koch & Oesterreicher approach has difficulties gaining ground in those research areas which rely more on corpus linguistic research models, like text linguistics and LSP-research. A combinatory approach: Accordingly, we want to establish a combinatory approach with corpus-based linguistic methodology. To this end, we propose to (i) include data about the context of an utterance (e.g., monologicity/dialogicity, familiarity with the speaker) – which were called “conditions of communication” in the original work of Koch & Oesterreicher – and (ii) correlate the linguistic phenomenon at the centre of the inquiry (e.g., evaluation markers) to a group of linguistic phenomena deemed typical for either distance- or immediacy-language. Based on these two parameters, linguistic phenomena and texts could then be mapped on an immediacy-distance continuum. Pilot study: To illustrate the benefits of this approach, we will conduct a pilot study on evaluation phenomena in French television weather reports, a form of domain-sensitive discourse which has often been cited as an example of a “text genre”. Within this text genre, we will look at so-called “evaluation markers,” e.g., fixed strings like bad weather, stifling hot, and “no luck today!”. These evaluation markers help to communicate the coming weather situation towards the lay audience but have not yet been studied within the Koch & Oesterreicher research paradigm. Accordingly, we want to figure out whether said evaluation markers are more typical for those weather reports which tend more towards immediacy or those which tend more towards distance. To this aim, we collected a corpus with different kinds of television weather reports,e.g., as part of the news broadcast, including dialogue. The evaluation markers themselves will be studied according to the explained methodology, by correlating them to (i) metadata about the context and (ii) linguistic phenomena characterising immediacy-language: repetition, deixis (personal, spatial, and temporal), a freer choice of tense and right- /left-dislocation. Results: Our results indicate that evaluation markers are more dominantly present in those weather reports inclining towards immediacy-language. Based on the methodology established above, we have gained more insight into the working of evaluation markers in the domain-sensitive text genre of (television) weather reports. For future research, it will be interesting to determine whether said evaluation markers are also typical for immediacy-language-oriented in other domain-sensitive discourses.Keywords: corpus-based linguistics, evaluation markers, language of immediacy and distance, weather reports
Procedia PDF Downloads 2141226 Crystallization Based Resolution of Enantiomeric and Diastereomeric Derivatives of myo-Inositol
Authors: Nivedita T. Patil, M. T. Patil, M. S. Shashidhar, R. G. Gonnade
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Cyclitols are cycloalkane polyols which have raise attention since they have numerous biological and pharmaceutical properties. Among these, inositols are important cyclitols, which constitute a group of naturally occurring polyhydric alcohols. Myo, scyllo, allo, neo, D-chiro- are naturally occurring structural isomer of inositol while other four isomers (L-chiro, allo, epi-, and cis-inositol) are derived from myo-inositol by chemical synthesis. Myo-inositol, most abundant isomer, plays an important role in signal transduction process and for the treatment of type 2 diabetes, bacterial infections, stimulation of menstruation, ovulation in polycystic ovary syndrome, improvement of osteogenesis, and in treatment of neurological disorders. Considering the vast application of the derivatives, it becomes important to supply these compounds for further studies in quantitative amounts, but the synthesis of suitably protected chiral inositol derivatives is the key intermediates in most of the synthesis which is difficult. Chiral inositol derivatives could also be of interest to synthetic organic chemists as they could serve as potential starting materials for the synthesis of several natural products and their analogs. Thus, obtaining chiral myo-inositol derivatives in a more eco-friendly way is need for current inositol chemistry. Thus, the resolution of nonracemates by preferential crystallization of enantiomers has not been reported as a method for inositol derivatives. We are optimistic that this work might lead to the development of the two tosylate enantiomers as synthetic chiral pool molecules for organic synthesis. Resolution of racemic 4-O-benzyl 6-O-tosyl myo-inositol 1, 3, 5 orthoformate was successfully achieved on multigram scale by preferential crystallization, which is more scalable, eco-friendly method of separation than other reported methods. The separation of the conglomeric mixture of tosylate was achieved by suspending the mixture in ethyl acetate till the level of saturation is obtained. To this saturated clear solution was added seed crystal of the desired enantiomers. The filtration of the precipitated seed was carried out at its filtration window to get enantiomerically enriched tosylate, and the process was repeated alternatively. These enantiomerically enriched samples were recrystallized to get tosylate as pure enantiomers. The configuration of the resolved enantiomers was determined by converting it to previously reported dibenzyl ether myo-inositol, which is an important precursor for mono- and tetraphosphates. We have also developed a convenient and practical method for the preparation of enantiomeric 4-O and 6-O-allyl myo-inositol orthoesters by resolution of diastereomeric allyl dicamphante orthoesters on multigram scale. These allyl ethers can be converted to other chiral protected myo-inositol derivatives using routine synthetic transformations. The chiral allyl ethers can be obtained in gram quantities, and the methods are amenable to further scale-up due to the simple procedures involved. We believe that the work described enhances the pace of research to understand the intricacies of the myo-inositol cycle as the methods described provide efficient access to enantiomeric phosphoinositols, cyclitols, and their derivatives from the abundantly available myo-inositol as a starting material.Keywords: cyclitols, diastereomers, enantiomers, myo-inositol, preferential crystallization, signal transduction
Procedia PDF Downloads 1361225 Structure Modification of Leonurine to Improve Its Potency as Aphrodisiac
Authors: Ruslin, R. E. Kartasasmita, M. S. Wibowo, S. Ibrahim
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An aphrodisiac is a substance contained in food or drug that can arouse sexual instinct and increase pleasure while working, these substances derived from plants, animals, and minerals. When consuming substances that have aphrodisiac activity and duration can improve the sexual instinct. The natural aphrodisiac effect can be obtained through plants, animals, and minerals. Leonurine compound has aphrodisiac activity, these compounds can be isolated from plants of Leonurus Sp, Sundanese people is known as deundereman, this plant is empirical has aphrodisiac activity and based on the isolation of active compounds from plants known to contain compounds leonurine, so that the compound is expected to have activity aphrodisiac. Leonurine compound can be isolated from plants or synthesized chemically with material dasa siringat acid. Leonurine compound can be obtained commercial and derivatives of these compounds can be synthesized in an effort to increase its activity. This study aims to obtain derivatives leonurine better aphrodisiac activity compared with the parent compound, modified the structure of the compounds in the form leonurin guanidino butyl ester group with butyl amin and bromoetanol. ArgusLab program version 4.0.1 is used to determine the binding energy, hydrogen bonds and amino acids involved in the interaction of the compound PDE5 receptor. The in vivo test leonurine compounds and derivatives as an aphrodisiac ingredients and hormone testosterone levels using 27 male rats Wistar strain and 9 female mice of the same species, ages ranged from 12 weeks rats weighing + 200 g / tail. The test animal is divided into 9 groups according to the type of compounds and the dose given. Each treatment group was orally administered 2 ml per day for 5 days. On the sixth day was observed male rat sexual behavior and taking blood from the heart to measure testosterone levels using ELISA technique. Statistical analysis was performed in this study is the ANOVA test Least Square Differences (LSD) using the program Statistical Product and Service Solutions (SPSS). Aphrodisiac efficacy of the leonurine compound and its derivatives have proven in silico and in vivo test, the in silico testing leonurine derivatives have smaller binding energy derivatives leonurine so that activity better than leonurine compounds. Testing in vivo using rats of wistar strain that better leonurine derivative of this compound shows leonurine that in silico studies in parallel with in vivo tests. Modification of the structure in the form of guanidine butyl ester group with butyl amin and bromoethanol increase compared leonurine compound for aphrodisiac activity, testosterone derivatives of compounds leonurine experienced a significant improvement especial is 1RD compounds especially at doses of 100 and 150 mg/bb. The results showed that the compound leonurine and its compounds contain aphrodisiac activity and increase the amount of testosterone in the blood. The compound test used in this study acts as a steroid precursor resulting in increased testosterone.Keywords: aphrodisiac dysfunction erectile leonurine 1-RD 2-RD, dysfunction, erectile leonurine, 1-RD 2-RD
Procedia PDF Downloads 2771224 Synthesis and Characterization of Some 1, 2, 3-Triazole Derivatives Containing the Chalcone Moiety and Evaluation for their Antimicrobial and Antioxidant Activity
Authors: Desta Gebretekle Shiferaw, Balakrishna Kalluraya
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Triazoles are basic five-membered ring heterocycles with an unsaturated, six-delocalized electron ring system. Since the dawn of click chemistry, triazoles have represented a functional heterocyclic core that has been the foundation of medicinal chemistry. The compounds with 1,2,3-triazole rings can be used in several fields, including medicine, organic synthesis, polymer chemistry, fluorescent imaging, horticulture, and industries, to name a few. Besides that, they found it to have health applications in the prevention and reduction of the risk of diseases, such as anti-cancer, antimicrobial, antiviral, and anti-inflammatory properties. Here, we present the synthesis of twelve 1,2,3-triazolyl chalcone derivatives (4a–l), which were produced in high yields by coupling substituted aldehydes and triazolyl acetophenone (3a–d) in ethanol. The title products were characterized by physicochemical, infrared, nuclear magnetic resonance, and mass spectral methods. The in vitro tests were used to evaluate the antioxidant and antimicrobial activity of each of the prepared molecules. The preliminary assessment and 2,2-diphenyl-1-picrylhydrazyl activity of the title compounds showed significantly higher antibacterial activity and moderate-to-good antifungal and antioxidant activities compared to their standards. This work presents the synthesis of triazolyl chalcone derivatives and their biological activity. Based on the findings, these compounds could be used as lead compounds in antimicrobial and antioxidant research in the future.Keywords: antibacterial activity, antifungal activity, antioxidant activity, chalcone, 1, 2, 3-triazole
Procedia PDF Downloads 117