Search results for: weather derivatives

Authors: Sabahat Zahra

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The purpose of this research is to present the changing global environment and its potential impacts on sustainable food and energy production at global level, particularly in Pakistan. The food and energy related-economic sector has been subjected to negative consequences due to recent extreme changes in weather conditions, particularly in developing countries. Besides continuous modifications in weather, population is also increasing by time, therefore it is necessary to take special steps and start effective initiatives to cope with the challenges of food and energy security to fight hunger and for economic stability of country. Severe increase in temperature and heat waves has also negative impacts on food production as well as energy sustainability. Energy (in terms of electricity) consumption has grown up than the production potential of the country as a consequence of increasing warm weather. Ultimately prices gone up when there is more consumption than production. Therefore, all these aspects of climate change are interrelated with socio-economic issues. There is a need to develop long-term policies on regional and national levels for maintainable economic growth. This research presents a framework-plan and recommendations for implementation needed to mitigate the potential threats due to global climate change sustainable food and energy production under climate change in the country.

Keywords: climate changes, energy security, food security, global climate change

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Authors: Richa Mardianingrum, Srie R. N. Endah

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In this research, we have designed four isoniazid derivatives i.e., isonicotinohydrazide (1-isonicotinoyl semicarbazide, 1-thiosemi isonicotinoyl carbazide, N '-(1,3-dimethyl-1 h-pyrazole-5-carbonyl) isonicotino hydrazide, and N '-(1,2,3- 4-thiadiazole-carbonyl) isonicotinohydrazide. The docking and molecular dynamic have performed to them in order to study its interaction with Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA). Based on this research, all of the compounds were predicted to have a stable interaction with Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (INHA) receptor, so they could be used as an anti-tuberculosis drug candidate.

Keywords: anti-tuberculosis, docking, Inhibin alpha subunit, InhA, inhibition, synthesis, isonicotinohydrazide

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Authors: Viktor Novikov, Yuri Ruzhin

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The studies completed to-date on a relation of the Earth's seismicity and solar processes provide the fuzzy and contradictory results. For verification of an idea that solar flares can trigger earthquakes, we have analyzed a case of a powerful surge of solar flash activity early in September 2017 during approaching the minimum of 24th solar cycle was accompanied by significant disturbances of space weather. On September 6, 2017, a group of sunspots AR2673 generated a large solar flare of X9.3 class, the strongest flare over the past twelve years. Its explosion produced a coronal mass ejection partially directed towards the Earth. We carried out a statistical analysis of the catalogs of earthquakes USGS and EMSC for determination of the effect of solar flares on global seismic activity. New evidence of earthquake triggering due to the Sun-Earth interaction has been demonstrated by simple comparison of behavior of Earth's seismicity before and after the strong solar flare. The global number of earthquakes with magnitude of 2.5 to 5.5 within 11 days after the solar flare has increased by 30 to 100%. A possibility of electric/electromagnetic triggering of earthquake due to space weather disturbances is supported by results of field and laboratory studies, where the earthquakes (both natural and laboratory) were initiated by injection of electrical current into the Earth crust. For the specific case of artificial electric earthquake triggering the current density at a depth of earthquake, sources are comparable with estimations of a density of telluric currents induced by variation of space weather conditions due to solar flares. Acknowledgment: The work was supported by RFBR grant No. 18-05-00255.

Keywords: solar flare, earthquake activity, earthquake triggering, solar-terrestrial relations

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Authors: Ammar S. M. Moohialdin, Bambang T. Suhariadi, Mohsin Siddiqui

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This paper addresses the application of physiological status monitoring (PSM) for assessing the impact of harsh weather conditions on sports activities in universities in Saudi Arabia. Real sports measurement was conducted during sports activities such that the physiological status (HR and BR) of five students were continuously monitored by using Zephyr BioHarness^TM 3.0 sensors in order to identify the physiological bonds and zones. These bonds and zones were employed as indicators of the associated physiological risks of the performed sports activities. Furthermore, a short yes/no questionnaire was applied to collect information on participants’ health conditions and opinions of the applied PSM sensors. The results show the absence of a warning system as a protective aid for the hazardous levels of extremely hot and humid weather conditions that may cause dangerous and fatal circumstances. The applied formulas for estimating maximum HR provides accurate estimations for Maximum Heart Rate (HR_max). The physiological results reveal that the performed activities by the participants are considered the highest category (90–100%) in terms of activity intensity. This category is associated with higher HR, BR and physiological risks including losing the ability to control human body behaviors. Therefore, there is a need for immediate intervention actions to reduce the intensity of the performed activities to safer zones. The outcomes of this study assist the safety improvement of sports activities inside universities and athletes performing their sports activities. To the best of our knowledge, this is the first paper to represent a special case of the application of PSM technology for assessing sports activities in universities considering the impacts of harsh weather conditions on students’ health and safety.

Keywords: physiological status monitoring (PSM), heart rate (HR), breathing rate (BR), Arabian Gulf

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Authors: Nina Miklavčič, Urška Kugovnik, Natalia Galkina, Primož Ribarič, Rudi Vončina

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Today, the need for weather predictions is deeply rooted in the everyday life of people as well as it is in industry. The forecasts influence final decision-making processes in multiple areas, from agriculture and prevention of natural disasters to air traffic regulations and solutions on a national level for health, security, and economic problems. Namely, in Slovenia, alongside other existing forms of application, weather forecasts are adopted for the prognosis of electrical current transmission through powerlines. Meteorological parameters are one of the key factors which need to be considered in estimations of the reliable supply of electrical energy to consumers. And like for any other measured value, the knowledge about measurement uncertainty is also critical for the secure and reliable supply of energy. The estimation of measurement uncertainty grants us a more accurate interpretation of data, a better quality of the end results, and even a possibility of improvement of weather forecast models. In the article, we focused on the estimation of measurement uncertainty of the diagnostic microscale meteorological model CALMET. For the purposes of our research, we used a network of meteorological stations spread in the area of our interest, which enables a side-by-side comparison of measured meteorological values with the values calculated with the help of CALMET and the measurement uncertainty estimation as a final result.

Keywords: uncertancy, meteorological model, meteorological measurment, CALMET

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Authors: Mohammed Abdulhameed, Sagir M. Abdullahi

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In this paper, based on the applications of nanoparticle, the blood flow along with nanoparticles through stenosed artery is studied. The blood is acted by periodic body acceleration, an oscillating pressure gradient and an external magnetic field. The mathematical formulation is based on Caputo-Fabrizio fractional derivative without singular kernel. The model of ordinary blood, corresponding to time-derivatives of integer order, is obtained as a limiting case. Analytical solutions of the blood velocity and temperature distribution are obtained by means of the Hankel and Laplace transforms. Effects of the order of Caputo-Fabrizio time-fractional derivatives and three different nanoparticles i.e. Fe3O4, TiO4 and Cu are studied. The results highlights that, models with fractional derivatives bring significant differences compared to the ordinary model. It is observed that the addition of Fe3O4 nanoparticle reduced the resistance impedance of the blood flow and temperature distribution through bell shape stenosed arteries as compared to TiO4 and Cu nanoparticles. On entering in the stenosed area, blood temperature increases slightly, but, increases considerably and reaches its maximum value in the stenosis throat. The shears stress has variation from a constant in the area without stenosis and higher in the layers located far to the longitudinal axis of the artery. This fact can be an important for some clinical applications in therapeutic procedures.

Keywords: nanoparticles, blood flow, stenosed artery, mathematical models

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Authors: Sobiya George, Anna Dora Gudmundsdottir

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The 2-hydroxychalcones form an important group of organic compounds not only because of their pharmacological properties but also because they are intermediates in the biosynthesis of flavanones. We studied the photoreactivity of 2-hydroxychalcone derivatives in aprotic solvent acetonitrile and found that their photochemistry is concentration-dependent. Irradiation of 2-hydroxychalcone derivatives with 365 nm light emitting diode (LED) in dilute concentration selectively forms flavanones, whereas, at higher concentrations, an additional photoproduct is observed. However, the application of the continuous photo-flow method resulted in the selective formation of flavanones even at higher concentrations. To understand the reaction mechanism and explain the concentration-dependent photoreactivity of 2-hydroxychalcones, we preformed trapping studies with tris(trimethylsilyl)silane, nanosecond laser flash photolysis, and time dependent-density functional theory (TD-DFT) calculations.

Keywords: flavanones, hydroxychalcones, laser flash photolysis, TD-DFT calculations

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Authors: M. Jathaveda, Joben Leons, G. Vidya

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Reentry from orbit is a critical phase in the entry trajectory. For a non-propulsive ballistic entry, static and dynamic stability play an important role in the trajectory, especially for the safe deployment of parachutes, typically at subsonic Mach numbers. Static stability of flight vehicles are being estimated through CFD techniques routinely. Advances in CFD software as well as computational facilities have enabled the estimation of the dynamic stability derivatives also through CFD techniques. Longitudinal static and dynamic stability of a typical reentry body for subsonic Mach number of 0.6 is predicted using commercial software CFD++ and presented here. Steady state simulations are carried out for α = 2° on an unstructured grid using SST k-ω model. Transient simulation using forced oscillation method is used to compute pitch damping derivatives.

Keywords: stability, typical reentry body, subsonic, static and dynamic

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Authors: Hui-Hsin Huang, Sheng-Tung Huang, Chi-Ming Lee, Chiao-Han Yen, Chun-Mao Lin

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At initiation stage, there are no symptoms at initiation stage; however, at late stage, patients suffer symptoms as soon as ovarian cancer metastasis. Moreover, ovarian cancer cells are resistant to some anti-ovarian cancer drugs in clinical. Thus, it is very important to find an effective treatment for resistant ovarian cancer. Anthraquinone derivatives are able to induce DNA damage and lead to cell apoptosis, so several derivatives have been used for clinical application. Therefore, to explore more effective anti-ovarian cancer drugs, this study investigates the mechanism of three new anthraquinone compounds bearing different functional groups to camptothecin-resistance ovarian cell line A2780R2000. Cell viability was determined by MTT assay after treating A2780R2000 with the three new anthraquinone compounds. The results indicated that IC50 values are 33.44μM (Compound I), 25.77μM (Compound II) and 24.59μM (Compound III). Next, through cell cycle analysis, the results demonstrated that three new anthraquinone compounds not only induced A2780R2000 cell cycle arrest at early stage but also apoptosis at late stage. Besides, through apoptosis assay, the results indicated new anthraquinone compound induced apoptosis at late stage. Furthermore, the results of western blot show that the three new anthraquinone compounds lead to A2780R2000 apoptosis through intrinsic pathway. Theses results suggested that three new anthraquinone compounds may be potential new drugs for clinical cancer treatment in the future.

Keywords: anthraquinone, camptothecin, resistance, ovarian cancer

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Authors: Kwa-Sur Tam, Byung O. Kang

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By using different ranges of daily sky clearness index defined in this paper, any day can be classified as a clear sky day, a partly cloudy day or a cloudy day. This paper demonstrates how short-term forecasting of solar irradiation can be improved by taking into consideration the type of day so defined. The source of day type dependency has been identified. Forecasting methods that take into consideration of day type have been developed and their efficacy have been established. While all methods that implement some form of adjustment to the cloud cover forecast provided by the U.S. National Weather Service provide accuracy improvement, methods that incorporate day type dependency provides even further improvement in forecast accuracy.

Keywords: day types, forecast methods, National Weather Service, sky cover, solar energy

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Authors: Nato Kutaladze, George Mikuchadze, Giorgi Sokhadze

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Precipitation forecasts are one of the most demanding applications in numerical weather prediction (NWP). Georgia, as the whole Caucasian region, is characterized by very complex topography. The country territory is prone to flash floods and mudflows, quantitative precipitation estimation (QPE) and quantitative precipitation forecast (QPF) at any leading time are very important for Georgia. In this study, advanced research weather forecasting model’s skill in QPF is investigated over Georgia’s territory. We have analyzed several convection parameterization and microphysical scheme combinations for different rainy episodes and heavy rainy phenomena. We estimate errors and biases in accumulated 6 h precipitation using different spatial resolution during model performance verification for 12-hour and 24-hour lead time against corresponding rain gouge observations and satellite data. Various statistical parameters have been calculated for the 8-month comparison period, and some skills of model simulation have been evaluated. Our focus is on the formation and organization of convective precipitation systems in a low-mountain region. Several problems in connection with QPF have been identified for mountain regions, which include the overestimation and underestimation of precipitation on the windward and lee side of the mountains, respectively, and a phase error in the diurnal cycle of precipitation leading to the onset of convective precipitation in model forecasts several hours too early.

Keywords: extremal dependence index, false alarm, numerical weather prediction, quantitative precipitation forecasting

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Authors: Bhenjamin Jordan L. Ona

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Weather modification is an act of altering weather systems that catches interest on scientific studies. Cloud seeding is a common form of weather alteration. On the same principle, tropical cyclone mitigation experiment follows the methods of cloud seeding with intensity to account for. This study will present the effects of aerosol to tropical cyclone cloud microphysics and intensity. The framework of Weather Research and Forecasting (WRF) model incorporated with Thompson aerosol-aware scheme is the prime host to support the aerosol-cloud microphysics calculations of cloud condensation nuclei (CCN) ingested into the tropical cyclones before making landfall over the Philippine coast. The coupled microphysical and radiative effects of aerosols will be analyzed using numerical data conditions of Tropical Storm Ketsana (2009), Tropical Storm Washi (2011), and Typhoon Haiyan (2013) associated with varying CCN number concentrations per simulation per typhoon: clean maritime, polluted, and very polluted having 300 cm-3, 1000 cm-3, and 2000 cm-3 aerosol number initial concentrations, respectively. Aerosol species like sulphates, sea salts, black carbon, and organic carbon will be used as cloud nuclei and mineral dust as ice nuclei (IN). To make the study as realistic as possible, investigation during the biomass burning due to forest fire in Indonesia starting October 2015 as Typhoons Mujigae/Kabayan and Koppu/Lando had been seeded with aerosol emissions mainly comprises with black carbon and organic carbon, will be considered. Emission data that will be used is from NASA's Moderate Resolution Imaging Spectroradiometer (MODIS). The physical mechanism/s of intensification or deintensification of tropical cyclones will be determined after the seeding experiment analyses.

Keywords: aerosol, CCN, IN, tropical cylone

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Authors: Piotr Prewysz-Kwinto

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The market of financial instruments with high risk is developing very dynamically in recent years and attracts more and more interest of investors. It consists essentially of two groups of instruments, i.e. derivatives and exchange traded product (ETP), and each year new types are introduced and offered to investors. The aim of this paper is to present the principles concerning financial instruments with high investment risk available on the Warsaw Stock Exchange (WSE), because they have quite complex constructions, and to evaluate the development of this market. In order to achieve this aim, statistical data from 2014-2016 was analyzed. The results confirm that the financial instruments with high investment risk available on the WSE constitute a diversified and the most numerous group of financial instruments and attract the most interest of investors. Responsible investing requires, however, a good knowledge of how they work and how they can generate profit to not expose oneself to unexpected losses.

Keywords: derivatives, exchange traded products (ETP), financial instruments, financial market, risk, stock exchange

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Authors: Isaac Kayode Ogunlade

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Data acquisition (DAQ) is the process by which physical phenomena from the real world are transformed into an electrical signal(s) that are measured and converted into a digital format for processing, analysis, and storage by a computer. The DAQ is designed using PIC18F4550 microcontroller, communicating with Personal Computer (PC) through USB (Universal Serial Bus). The research deployed initial knowledge of data acquisition system and embedded system to develop a weather data acquisition device using LM35 sensor to measure weather parameters and the use of Artificial Intelligence(Artificial Neural Network - ANN)and statistical approach(Autoregressive Integrated Moving Average – ARIMA) to predict precipitation (rainfall). The device is placed by a standard device in the Department of Meteorology, Federal University of Technology, Akure (FUTA) to know the performance evaluation of the device. Both devices (standard and designed) were subjected to 180 days with the same atmospheric condition for data mining (temperature, relative humidity, and pressure). The acquired data is trained in MATLAB R2012b environment using ANN, and ARIMAto predict precipitation (rainfall). Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Correction Square (R2), and Mean Percentage Error (MPE) was deplored as standardize evaluation to know the performance of the models in the prediction of precipitation. The results from the working of the developed device show that the device has an efficiency of 96% and is also compatible with Personal Computer (PC) and laptops. The simulation result for acquired data shows that ANN models precipitation (rainfall) prediction for two months (May and June 2017) revealed a disparity error of 1.59%; while ARIMA is 2.63%, respectively. The device will be useful in research, practical laboratories, and industrial environments.

Keywords: data acquisition system, design device, weather development, predict precipitation and (FUTA) standard device

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Authors: Muhammad Danish Khan, Imran Naeem, Mudassar Imran

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In this article, we study time-space Fractional Advection-Dispersion (FADE) equation and time-space Fractional Whitham-Broer-Kaup (FWBK) equation that have a significant role in hydrology. We introduce suitable transformations to convert fractional order derivatives to integer order derivatives and as a result these equations transform into Partial Differential Equations (PDEs). Then the Lie symmetries and corresponding optimal systems of the resulting PDEs are derived. The symmetry reductions and exact independent solutions based on optimal system are investigated which constitute the exact solutions of original fractional differential equations.

Keywords: modified Riemann-Liouville fractional derivative, lie-symmetries, optimal system, invariant solutions

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Authors: Manea Viorel, Puscoci Sorin, Stoichescu Dan Alexandru

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Free Space Optics (FSO) is an optical telecommunication system that uses laser beam to transmit data at high bit rates via terrestrial atmosphere. This article describes a method to obtain higher bit rates, under unfavorable weather conditions using multiple optical beams, which carry information with low optical power. Optical link quality assessment is given by the attenuation on different weather conditions. The goal of this paper is to compare two transmission techniques: mono and multi beam, both affected by atmospheric attenuation, using OOK and L-PPM modulation. Link availability is evaluated using eye-diagram that provides information about the overall bit error rate of the system.

Keywords: free space optics, wireless optic, laser communication, spatial diversity

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Authors: Vinaya Kambappa, Chinnadurai Mani, Komaraiah Palle

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Non-small cell-lung cancer (NSCLC) cells have increased expression of EGFR, which makes them a potential target for cancer therapy. Based on molecular docking and previous reports, we designed and synthesized quinazoline derivatives as potent EGFR inhibitors. Among the derivatives, three compounds showed good antiproliferative activity against A-549 and H-1299 cells. Furthermore, these compounds inhibited EGFR signaling exhibiting diminishing p-EGFR and its downstream proteins like p-Akt, p-Erk1/2, and p-mTOR; however, it did not alter the levels of EGFR, Akt, Erk1/2 and mTOR proteins. Flow cytometric analysis indicated the accumulation of cells at G1 phase suggesting induction of apoptosis, which was further confirmed by annexin V/propidium iodide staining. Our study suggested that quinazoline scaffold can be developed as novel EGFR kinase inhibitors for cancer therapy.

Keywords: apoptosis, non-small cell-lung cancer cells, EGFR, quinazoline

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Authors: Yiorgos Hadjichristou

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The paper will focus on the strategic development deriving from the evolution of the traditional courtyard spatial organization towards a new, contemporary sustainable way of living. New sustainable approaches that engulf the social issues, the notion of place, the understanding of weather architecture blended together with the bioclimatic behaviour will be seen through a series of experimental case studies in the island of Cyprus, inspired and originated from its traditional wisdom, ranging from small scale of living to urban interventions. Weather and nature will be seen as co-architectural authors with architects as intelligently claimed by Jonathan Hill in his Weather Architecture discourse. Furthermore, following Pallasmaa’s understanding, the building will be seen not as an end itself and the elements of an architectural experience as having a verb form rather than being nouns. This will further enhance the notion of merging the subject-human and the object-building as discussed by Julio Bermudez. This eventually will enable to generate the discussion of the understanding of the building constructed according to the specifics of place and inhabitants, shaped by its physical and human topography as referred by Adam Sharr in relation to Heidegger’s thinking. The specificities of the divided island and the dealing with sites that are in vicinity with the diving Green Line will further trigger explorations dealing with the regeneration issues and the social sustainability offering unprecedented opportunities for innovative sustainable ways of living. The above premises will lead us to develop innovative strategies for a profound, both technical and social sustainability, which fruitfully yields to innovative living built environments, responding to the ever changing environmental and social needs. As a starting point, a case study in Kaimakli in Nicosia a refurbishment with an extension of a traditional house, already engulfs all the traditional/ vernacular wisdom of the bioclimatic architecture. It aims at capturing not only its direct and quite obvious bioclimatic features, but rather to evolve them by adjusting the whole house in a contemporary living environment. In order to succeed this, evolutions of traditional architectural elements and spatial conditions are integrated in a way that does not only respond to some certain weather conditions, but they integrate and blend the weather within the built environment. A series of innovations aiming at maximum flexibility is proposed. The house can finally be transformed into a winter enclosure, while for the most part of the year it turns into a ‘camping’ living environment. Parallel to experimental interventions in existing traditional units, we will proceed examining the implementation of the same developed methodology in designing living units and complexes. Malleable courtyard organizations that attempt to blend the traditional wisdom with the contemporary needs for living, the weather and nature with the built environment will be seen tested in both horizontal and vertical developments. A new social identity of people, directly involved and interacting with the weather and climatic conditions will be seen as the result of balancing the social with the technological sustainability, the immaterial and the material aspects of the built environment.

Keywords: building as a verb, contemporary living, traditional bioclimatic wisdom, weather architecture

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Authors: A. Mahshid Kakouei, B. Kumaran Suberamanin, C. Sabzali Musa Kahn, D. Mina Kakouei

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This study aims to identify suitable conservative product for the conservation and restoration of historical Zelkova Carpinifolia wood located in humid weather. The superficial properties and hardness of 14 compounds treated with several consolidants were compared. The consolidants have been applied alone, with synthetic resin or with protein glues and natural resins by the brushing method. Colorimetric measurements, observation methods and hardness tests were conducted before and after aging to verify the possible changes of the treated wood and the consolidating resistance. The compound 1:2 of Butvar B98 and sandarac in 5% ethanol was found to be more effective, providing a suitable compound compared to the other consolidants tested.

Keywords: Zelkova carpinifolia, consolidation, synthetic resin, penetration depth, hardness

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Authors: Samuel Matylewicz, K. W. Goossen

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The deployment of white or cool (high albedo) roofing is a common energy savings recommendation for a variety of buildings all over the world. Here, the effect of a white roof on the energy savings of an ice rink facility in the northeastern US is determined by measuring the effect of solar irradiance on the consumption of the rink's ice refrigeration system. The consumption of the refrigeration system was logged over a year, along with multiple weather vectors, and a statistical model was applied. The experimental model indicates that the expected savings of replacing the existing grey roof with a white roof on the consumption of the refrigeration system is only 4.7 %. This overall result of the statistical model is confirmed with isolated instances of otherwise similar weather days, but cloudy vs. sunny, where there was no measurable difference in refrigeration consumption up to the noise in the local data, which was a few percent. This compares with a simple theoretical calculation that indicates 30% savings. The difference is attributed to a lack of convective cooling of the roof in the theoretical model. The best experimental model shows a relative effect of the weather vectors dry bulb temperature, solar irradiance, wind speed, and relative humidity on refrigeration consumption of 1, 0.026, 0.163, and -0.056, respectively. This result can have an impact on decisions to apply white roofing to refrigerated buildings in general.

Keywords: cool roofs, solar cooling load, refrigerated buildings, energy-efficient building envelopes

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Authors: Sangil Han, In Su Kim

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Transition-metal-catalyzed C–H bond activation and its subsequent functionalization has been one of the most attractive topics in organic synthesis because of its remarkable potential for atom economy and environmental sustainability. In this addition, a variety of C(sp2)–H functionalization has been developed under metal catalysis in the past decade. Recently, much attention has been moved towards the C(sp3)–H functionalization events, which continue to be a challenging issue. In this area, directing group assisted sp3 C–H functionalization has been explored by use of amides, carboxylic acids, oximes, N-heterocycles, and etc. In particular, 8-methylquinolines have been found as good substrates for sp3 C–H functionalization due to its ability to form cyclometalated complexes. Succinimides have been recognized as privileged structural cores found in a number of bioactive natural products, pharmaceuticals, and functional materials. Furthermore, the reduced derivatives such as pyrrolidines and γ-lactams have been also found in a large number of pharmaceutical relevant molecules, thus making them one of the most important and promising compounds. We herein describe the first C(sp3)–H activation of 8-methylquinolines and subsequent functionalization with maleimides to afford various succinimide derivatives.

Keywords: C(sp3)–H activation, 8-methylquinolines, maleimides, succinimides

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Authors: Milica Karadžić, Lidija Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Anamarija Mandić, Aleksandar Oklješa, Andrea Nikolić, Marija Sakač, Katarina Penov Gaši

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Using chemometric approach, the relationships between the chromatographic lipophilicity and in silico molecular descriptors for twenty-nine selected steroid derivatives were studied. The chromatographic lipophilicity was predicted using artificial neural networks (ANNs) method. The most important in silico molecular descriptors were selected applying stepwise selection (SS) paired with partial least squares (PLS) method. Molecular descriptors with satisfactory variable importance in projection (VIP) values were selected for ANN modeling. The usefulness of generated models was confirmed by detailed statistical validation. High agreement between experimental and predicted values indicated that obtained models have good quality and high predictive ability. Global sensitivity analysis (GSA) confirmed the importance of each molecular descriptor used as an input variable. High-quality networks indicate a strong non-linear relationship between chromatographic lipophilicity and used in silico molecular descriptors. Applying selected molecular descriptors and generated ANNs the good prediction of chromatographic lipophilicity of the studied steroid derivatives can be obtained. This article is based upon work from COST Actions (CM1306 and CA15222), supported by COST (European Cooperation and Science and Technology).

Keywords: artificial neural networks, chemometrics, global sensitivity analysis, liquid chromatography, steroids

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Authors: Joanna Drzeżdżon

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Polyvinyl alcohol and its derivatives such as 2-chloro-2-propen-1-ol have found application in many industries. They are mainly used for the production of adhesives, thickeners and stabilizers of emulsion paints, and surgical threads. Moreover, polyvinyl alcohol derivatives are indispensable reagents in the synthesis of hemiacetals. Polyolefins derived from polyvinyl alcohol are obtained by using catalysts belonging to complex compounds of transition metal ions. The aim of the studies is to the synthesis of a new complex, i.e. dipicolinate oxovanadium(IV) complex with 4,4’-dimethoxy-2,2’-bipyridyl, and to determine its catalytic activities. Moreover, the another aim of the studies was to set conditions for 2-chloro-2-propen-1-ol oligomerization. The catalytic system has been based on the dipicolinate complex of oxovanadium(IV) with 4,4’-dimethoxy-2,2’-bipyridyl and MMAO-12. The results of the studies showed that how a new oxovanadium(IV) complex compound effects on the 2-chloro-2-propen-1-ol oligomerization. Moreover, the results revealed that new catalytic material is a highly active catalyst for the investigated oligomerization.

Keywords: 2-chloro-2-propen-1-ol, oligomerization, dipicolinate, vanadium, methylaluminoxane

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Authors: Aigin Bashti

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Preparation of multicomponent reactions (MCRs) via a simple one-pot strategy is considered a novel procedure which has attracted a lot of interest from organic and medicinal chemists. Due to the great importance of phthalazide triones, it was decided to introduce a novel and cost-effective green procedure for the preparation of these derivatives. In this methodology, an efficient 4,4ʹ-Bipyridinium Dichloride Ordered Mesoporous Silica functionalized catalyst (BP-SBA-15) was utilized. The catalyst was characterized by X-ray diffraction analysis (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermo-gravimetric analysis (TGA), and Fourier-transform infrared spectroscopy (FT-IR) analysis. In conclusion, it should be mentioned that this methodology has some advantages, including short reaction time, high yield of the products, recyclable catalyst, green procedure, and facile work-up procedure. The catalyst was successfully utilized for the one-pot preparation of various phthalazinetrione derivatives.

Keywords: dimedone, green procedure, multicomponent reactions, phthalhydrazide

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Authors: Mohamed E. Khalifa, Adil A. Gobouri

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Potential synthesis of a series of 3-amino-4-arylazothiophene derivatives from reaction of 2-cyano-2-phenylthiocarbamoyl acetamide and the appropriate α-halogenated reagents, followed by coupling with different aryl diazonium salts (Japp-Klingemann reaction), and another series of 5-arylazo-thiazol-2-ylcarbamoyl-thiophene derivatives from base-catalyzed intramolecular condensation of 5-arylazo-2-(N-chloroacetyl)amino-thiazole with selected B-keto compounds (Thorpe-Ziegler reaction) was performed. The biological activity of the two series was studied in vitro. Their versatility for pharmaceutical purposes was reported, where they displayed remarkable activities against selected pathogenic microorganisms; Bacillus subtilize, Staphylococcus aureus (Gram positive bacteria), Escherichia coli, Pseudomonas aeruginosa (Gram negative bacteria) and Aspergillus flavus, Candida albicans (fungi) with various degrees related to their chemical structures.

Keywords: thiophene, 2-aminothiazole, compounds, antioxidant, antitumor, antimicrobial

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Authors: Milica Ž. Karadžić, Lidija R. Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Z. Kovačević, Anamarija I. Mandić, Katarina Penov-Gaši, Andrea R. Nikolić, Aleksandar M. Oklješa

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This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology).

Keywords: generalized pair correlation method, molecular descriptors, regression analysis, steroids, sum of ranking differences

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Authors: Muhammad Rasyid Angkotasan

Abstract:

The soil is a dense granules and arrangement of the pores that are related to each other, so that the water can flow from one point which has higher energy to a point that has lower energy. The flow of water through the pores of the porous ground is urgently needed in water seepage estimates in ground water pumping problems, investigate for underground construction, as well as analyzing the stability of the construction of Weirs. Climate change resulted in long-term changes in the distribution of weather patterns are statistically throughout the period start time of decades to millions of years. In other words, changes in the average weather circumstances or a change in the distribution of weather events, on average, for example, the number of extreme weather events that increasingly a lot or a little. Climate change is limited to a particular regional or can occur in all regions of the Earth. Geographical location between two continents and two oceans and is located around the equator is klimatologis factor is the cause of flooding and drought in Indonesia. This caused Indonesia' geographical position is on a hemisphere with a tropical monsoon climate is very sensitive to climatic anomaly El Nino Southern Oscillation (ENSO). ENSO causes drought occurrence in sea surface temperature conditions in the Pacific Equator warms up to the middle part of the East (El Nino). Based on the analysis of the climate of the last 30 years show that there is a tendency, the formation of a new pattern of climate causes the onset of climate change. The impact of climate change on the occurrence of the agricultural sector is the bergesernya beginning of the dry season which led to the above-mentioned pattern planting due to drought. The impact of climate change (drought) which is very extreme in Indonesia affect the shrinkage dimensions grain land and reduced the value of a percentage of the soil Plasticity Index caused by climate change.

Keywords: climate change, soil shrinkage, plasticity index, shrinking dimensions

Procedia PDF Downloads 209

Authors: Mehdi Nematimoez

Abstract:

Head posture is paramount to retaining gaze and balance in many activities; its control is thus important in many activities. However, little information is available about the effects of head movement restriction on other spine segment kinematics and movement patterns during lifting and lowering tasks. The aim of this study was to examine the effects of head movement restriction on relative angles and their derivatives using the stepwise segmentation approach during lifting and lowering tasks. Ten healthy men lifted and lowered a box using two styles (stoop and squat), with two loads (i.e., 10 and 20% of body weight); they performed these tasks with two instructed head postures (1. Flexing the neck to keep contact between chin and chest over the task cycle; 2. No instruction, free head posture). The spine was divided into five segments, tracked by six cluster markers (C7, T3, T6, T9, T12, and L5). Relative angles between spine segments and their derivatives (first and second) were analyzed by a stepwise segmentation approach to consider the effect of each segment on the whole spine. Accordingly, head posture significantly affected the derivatives of the relative angles and manifested latency in spine segments movement, i.e., cephalad-to-caudad or caudad-to-cephalad patterns. The relative angles for C7-T3 and T3-T6 increased over the cycle of all lifting and lowering tasks; nevertheless, in lower segments increased significantly when the spine moved into upright standing. However, these effects were clearer during lifting than lowering. Conclusively, the neck flexion can unevenly increase the flexion angles of spine segments from cervical to lumbar over lifting and lowering tasks; furthermore, stepwise segmentation reveals potential for assessing the segmental contribution in spine ROM and movement patterns.

Keywords: head movement restriction, spine kinematics, lifting, lowering, stepwise segmentation

Procedia PDF Downloads 204

Authors: N. A. Parvin, E. B. Ferranti, L. A. Chapman, C. A. Pfrang

Abstract:

This study intends to investigate the effects of the Urban Heat Island on public health in Birmingham. Birmingham is located at the center of the West Midlands and its weather is Highly variable due to geographical factors. Residential developments, road networks and infrastructure often replace open spaces and vegetation. This transformation causes the temperature of urban areas to increase and creates an "island" of higher temperatures in the urban landscape. Extreme heat in the urban area is influencing public health in the UK as well as in the world. Birmingham is a densely built-up area with skyscrapers and congested buildings in the city center, which is a barrier to air circulation. We will investigate the city regarding heat and cold-related human mortality and other impacts. We are using primary and secondary datasets to examine the effect of population shift and land-use change on the UHI in Birmingham. We will also use freely available weather data from the Birmingham Urban Observatory and will incorporate satellite data to determine urban spatial expansion and its effect on the UHI. We have produced a temperature map based on summer datasets of 2020, which has covered 25 weather stations in Birmingham to show the differences between diurnal and nocturnal summer and annual temperature trends. Some impacts of the UHI may be beneficial, such as the lengthening of the plant growing season, but most of them are highly negative. We are looking for various effects of urban heat which is impacting human health and investigating mitigation options.

Keywords: urban heat, public health, climate change

Procedia PDF Downloads 69

Authors: Kamel Al-Khaled

Abstract:

A comparative study of the Sinc-Galerkin and Sinc-Collocation methods for solving the Kuramoto-Sivashinsky equation is given. Both approaches depend on using Sinc basis functions. Firstly, a numerical scheme using Sinc-Galerkin method is developed to approximate the solution of Kuramoto-Sivashinsky equation. Sinc approximations to both derivatives and indefinite integrals reduces the solution to an explicit system of algebraic equations. The error in the solution is shown to converge to the exact solution at an exponential. The convergence proof of the solution for the discrete system is given using fixed-point iteration. Secondly, a combination of a Crank-Nicolson formula in the time direction, with the Sinc-collocation in the space direction is presented, where the derivatives in the space variable are replaced by the necessary matrices to produce a system of algebraic equations. The methods are tested on two examples. The demonstrated results show that both of the presented methods more or less have the same accuracy.

Keywords: Sinc-Collocation, nonlinear PDEs, numerical methods, fixed-point

Procedia PDF Downloads 440