Search results for: non prismatic compound channel
1420 Synthesis and Molecular Docking of Isonicotinohydrazide Derivatives as Anti-Tuberculosis Candidates
Authors: Ruswanto Ruswanto, Richa Mardianingrum, Tita Nofianti, Nur Rahayuningsih
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Tuberculosis (TB) is a chronic disease as a result of Mycobacterium tuberculosis. It can affect all age groups, and hence, is a global health problem that causes the death of millions of people every year. One of the drugs used in tuberculosis treatment is isonicotinohydrazide. In this study, N'-benzoylisonicotinohydrazide derivative compounds (a-l) were prepared using acylation reactions between isonicotinohydrazide and benzoyl chloride derivatives, through the reflux method. Molecular docking studies suggested that all of the compounds had better interaction with Mycobacterium tuberculosis enoyl-acyl carrier protein reductase (InhA) than isonicotinohydrazide. It can be concluded that N'-benzoylisonicotinohydrazide derivatives (a-l) could be used as anti-tuberculosis candidates. From the docking results revealed that all of the compounds interact well with InhA, with compound g (N'-(3-nitrobenzoyl)isonicotinohydrazide) exhibiting the best interaction.Keywords: anti-tuberculosis , docking, InhA, N'-benzoylisonicotinohydrazide, synthesis
Procedia PDF Downloads 3101419 Stepanovia osogoviensis sp. n. (Hymenoptera: Eulophidae) in Galls of Diplolepis rosae from Bulgaria
Authors: Ivaylo A. Todorov, Peter S. Boyadzhiev
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A new distinctive species of Stepanovia Kostjukov (Hymenoptera: Eulophidae: Tetrastichinae) was reared in laboratory from mature galls of Diplolepis rosae (Linnaeus) (Cynipidae). The galls were collected from Rosa sp. bushes growing in Osogovo Mt. in Western Bulgaria. The new species is close to Stepanovia rosae Boyadzhiev & Todorov but differs in POL and OOL characteristics, width of antennae, forewings and ovipositor sheaths characteristics, different U-shaped pale stripe above clypeus and the length of the ventral plaque on male antenna. The taxonomically important morphological features are illustrated and compared with the rest species of the genus using Scanning electron microscopy and light reflection by compound microscopy. Images of male genitalia are also prepared.Keywords: Eulophidae, Diplolepis rosae, galls, Stepanovia osogoviensis, Bulgaria
Procedia PDF Downloads 2471418 CFD Modeling of Pollutant Dispersion in a Free Surface Flow
Authors: Sonia Ben Hamza, Sabra Habli, Nejla Mahjoub Said, Hervé Bournot, Georges Le Palec
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In this work, we determine the turbulent dynamic structure of pollutant dispersion in two-phase free surface flow. The numerical simulation was performed using ANSYS Fluent. The flow study is three-dimensional, unsteady and isothermal. The study area has been endowed with a rectangular obstacle to analyze its influence on the hydrodynamic variables and progression of the pollutant. The numerical results show that the hydrodynamic model provides prediction of the dispersion of a pollutant in an open channel flow and reproduces the recirculation and trapping the pollutant downstream near the obstacle.Keywords: CFD, free surface, polluant dispersion, turbulent flows
Procedia PDF Downloads 5471417 Determination of Optimum Fin Wave Angle and Its Effect on the Performance of an Intercooler
Authors: Mahdi Hamzehei, Seyyed Amin Hakim, Nahid Taherian
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Fins play an important role in increasing the efficiency of compact shell and tube heat exchangers by increasing heat transfer. The objective of this paper is to determine the optimum fin wave angle, as one of the geometric parameters affecting the efficiency of the heat exchangers. To this end, finite volume method is used to model and simulate the flow in heat exchanger. In this study, computational fluid dynamics simulations of wave channel are done. The results show that the wave angle affects the temperature output of the heat exchanger.Keywords: fin wave angle, tube, intercooler, optimum, performance
Procedia PDF Downloads 3831416 Design of a Pulse Generator Based on a Programmable System-on-Chip (PSoC) for Ultrasonic Applications
Authors: Pedro Acevedo, Carlos Díaz, Mónica Vázquez, Joel Durán
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This paper describes the design of a pulse generator based on the Programmable System-on-Chip (PSoC) module. In this module, using programmable logic is possible to implement different pulses which are required for ultrasonic applications, either in a single channel or multiple channels. This module can operate with programmable frequencies from 3-74 MHz; its programming may be versatile covering a wide range of ultrasonic applications. It is ideal for low-power ultrasonic applications where PZT or PVDF transducers are used.Keywords: PSoC, pulse generator, PVDF, ultrasonic transducer
Procedia PDF Downloads 2931415 A Study of Student Satisfaction of the University TV Station
Authors: Prapoj Na Bangchang
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This research aimed to study the satisfaction of university students on the Suan Sunandha Rajabhat University television station. The sample were 250 undergraduate students from Year 1 to Year 4. The tool used to collect data was a questionnaire. Statistics used in data analysis were percentage, mean and standard deviation. The results showed that student satisfaction on the University's television station location received high score, followed by the number of devices, and the content presented received the lowest score. Most students want the content of the programs to be improved especially entertainment content, followed by sports content.Keywords: student satisfaction, university TV channel, media, broadcasting
Procedia PDF Downloads 3861414 Transmission Performance Analysis for Live Broadcasting over IPTV Service in Telemedicine Applications
Authors: Jenny K. Ubaque, Edward P. Guillen, Juan S. Solórzano, Leonardo J. Ramírez
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The health care must be a right for people around the world, but in order to guarantee the access to all, it is necessary to overcome geographical barriers. Telemedicine take advantage of Information Communication Technologies to deploy health care services around the world. To achieve those goals, it is necessary to use existing last mile solution to create access for home users, which is why is necessary to establish the channel characteristics for those kinds of services. This paper presents an analysis of network performance of last mile solution for the use of IPTV broadcasting with the application of streaming for telemedicine apps.Keywords: telemedicine, IPTV, GPON, ADSL2+, coaxial, jumbogram
Procedia PDF Downloads 3681413 Influence of Error Correction Codes on the Quality of Optical Broadband Connections
Authors: Mouna Hemdi, Jamel bel Hadj Tahar
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The increasing development of multimedia applications requiring the simultaneous transport of several different services contributes to the evolution of the need for very high-speed network. In this paper, we propose an effective solution to achieve the very high speed while retaining elements of the optical transmission channel. So our study focuses on error correcting codes that aim for quality improvement on duty. We present a comparison of the quality of service for single channels and integrating the code BCH, RS and LDPC in order to find the best code in the different conditions of the transmission.Keywords: code error correction, high speed broadband, optical transmission, information systems security
Procedia PDF Downloads 3931412 Explaining Irregularity in Music by Entropy and Information Content
Authors: Lorena Mihelac, Janez Povh
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In 2017, we conducted a research study using data consisting of 160 musical excerpts from different musical styles, to analyze the impact of entropy of the harmony on the acceptability of music. In measuring the entropy of harmony, we were interested in unigrams (individual chords in the harmonic progression) and bigrams (the connection of two adjacent chords). In this study, it has been found that 53 musical excerpts out from 160 were evaluated by participants as very complex, although the entropy of the harmonic progression (unigrams and bigrams) was calculated as low. We have explained this by particularities of chord progression, which impact the listener's feeling of complexity and acceptability. We have evaluated the same data twice with new participants in 2018 and with the same participants for the third time in 2019. These three evaluations have shown that the same 53 musical excerpts, found to be difficult and complex in the study conducted in 2017, are exhibiting a high feeling of complexity again. It was proposed that the content of these musical excerpts, defined as “irregular,” is not meeting the listener's expectancy and the basic perceptual principles, creating a higher feeling of difficulty and complexity. As the “irregularities” in these 53 musical excerpts seem to be perceived by the participants without being aware of it, affecting the pleasantness and the feeling of complexity, they have been defined as “subliminal irregularities” and the 53 musical excerpts as “irregular.” In our recent study (2019) of the same data (used in previous research works), we have proposed a new measure of the complexity of harmony, “regularity,” based on the irregularities in the harmonic progression and other plausible particularities in the musical structure found in previous studies. We have in this study also proposed a list of 10 different particularities for which we were assuming that they are impacting the participant’s perception of complexity in harmony. These ten particularities have been tested in this paper, by extending the analysis in our 53 irregular musical excerpts from harmony to melody. In the examining of melody, we have used the computational model “Information Dynamics of Music” (IDyOM) and two information-theoretic measures: entropy - the uncertainty of the prediction before the next event is heard, and information content - the unexpectedness of an event in a sequence. In order to describe the features of melody in these musical examples, we have used four different viewpoints: pitch, interval, duration, scale degree. The results have shown that the texture of melody (e.g., multiple voices, homorhythmic structure) and structure of melody (e.g., huge interval leaps, syncopated rhythm, implied harmony in compound melodies) in these musical excerpts are impacting the participant’s perception of complexity. High information content values were found in compound melodies in which implied harmonies seem to have suggested additional harmonies, affecting the participant’s perception of the chord progression in harmony by creating a sense of an ambiguous musical structure.Keywords: entropy and information content, harmony, subliminal (ir)regularity, IDyOM
Procedia PDF Downloads 1331411 Proposal of Data Collection from Probes
Authors: M. Kebisek, L. Spendla, M. Kopcek, T. Skulavik
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In our paper we describe the security capabilities of data collection. Data are collected with probes located in the near and distant surroundings of the company. Considering the numerous obstacles e.g. forests, hills, urban areas, the data collection is realized in several ways. The collection of data uses connection via wireless communication, LAN network, GSM network and in certain areas data are collected by using vehicles. In order to ensure the connection to the server most of the probes have ability to communicate in several ways. Collected data are archived and subsequently used in supervisory applications. To ensure the collection of the required data, it is necessary to propose algorithms that will allow the probes to select suitable communication channel.Keywords: communication, computer network, data collection, probe
Procedia PDF Downloads 3621410 Drying Shrinkage of Concrete: Scale Effect and Influence of Reinforcement
Authors: Qier Wu, Issam Takla, Thomas Rougelot, Nicolas Burlion
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In the framework of French underground disposal of intermediate level radioactive wastes, concrete is widely used as a construction material for containers and tunnels. Drying shrinkage is one of the most disadvantageous phenomena of concrete structures. Cracks generated by differential shrinkage could impair the mechanical behavior, increase the permeability of concrete and act as a preferential path for aggressive species, hence leading to an overall decrease in durability and serviceability. It is of great interest to understand the drying shrinkage phenomenon in order to predict and even to control the strains of concrete. The question is whether the results obtained from laboratory samples are in accordance with the measurements on a real structure. Another question concerns the influence of reinforcement on drying shrinkage of concrete. As part of a global project with Andra (French National Radioactive Waste Management Agency), the present study aims to experimentally investigate the scale effect as well as the influence of reinforcement on the development of drying shrinkage of two high performance concretes (based on CEM I and CEM V cements, according to European standards). Various sizes of samples are chosen, from ordinary laboratory specimens up to real-scale specimens: prismatic specimens with different volume-to-surface (V/S) ratios, thin slices (thickness of 2 mm), cylinders with different sizes (37 and 160 mm in diameter), hollow cylinders, cylindrical columns (height of 1000 mm) and square columns (320×320×1000 mm). The square columns have been manufactured with different reinforcement rates and can be considered as mini-structures, to approximate the behavior of a real voussoir from the waste disposal facility. All the samples are kept, in a first stage, at 20°C and 50% of relative humidity (initial conditions in the tunnel) in a specific climatic chamber developed by the Laboratory of Mechanics of Lille. The mass evolution and the drying shrinkage are monitored regularly. The obtained results show that the specimen size has a great impact on water loss and drying shrinkage of concrete. The specimens with a smaller V/S ratio and a smaller size have a bigger drying shrinkage. The correlation between mass variation and drying shrinkage follows the same tendency for all specimens in spite of the size difference. However, the influence of reinforcement rate on drying shrinkage is not clear based on the present results. The second stage of conservation (50°C and 30% of relative humidity) could give additional results on these influences.Keywords: concrete, drying shrinkage, mass evolution, reinforcement, scale effect
Procedia PDF Downloads 1851409 Copper Complexe Derivative of Chalcone: Synthesis, Characterization, Electrochemical Properties and XRD/Hirschfeld Surface
Authors: Salima Tabti, Amel Djedouani., Djouhra Aggoun, Ismail Warad
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The reaction of copper (II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) lead to a new complexe: Cu(L)₂(DMF)₂. The crystal structure of the Cu(L)₂(DMF)₂ complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexe was investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH₃CN solution, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couple. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces.Keywords: chalcones, cyclic voltametry, X-ray, Hirschfeld surface
Procedia PDF Downloads 651408 Analysis of Lift Force in Hydrodynamic Transport of a Finite Sized Particle in Inertial Microfluidics with a Rectangular Microchannel
Authors: Xinghui Wu, Chun Yang
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Inertial microfluidics is a competitive fluidic method with applications in separation of particles, cells and bacteria. In contrast to traditional microfluidic devices with low Reynolds number, inertial microfluidics works in the intermediate Re number range which brings about several intriguing inertial effects on particle separation/focusing to meet the throughput requirement in the real-world. Geometric modifications to make channels become irregular shapes can leverage fluid inertia to create complex secondary flow for adjusting the particle equilibrium positions and thus enhance the separation resolution and throughput. Although inertial microfluidics has been extensively studied by experiments, our current understanding of its mechanisms is poor, making it extremely difficult to build rational-design guidelines for the particle focusing locations, especially for irregularly shaped microfluidic channels. Inertial particle microfluidics in irregularly shaped channels were investigated in our group. There are several fundamental issues that require us to address. One of them is about the balance between the inertial lift forces and the secondary drag forces. Also, it is critical to quantitatively describe the dependence of the life forces on particle-particle interactions in irregularly shaped channels, such as a rectangular one. To provide physical insights into the inertial microfluidics in channels of irregular shapes, in this work the immersed boundary-lattice Boltzmann method (IB-LBM) was introduced and validated to explore the transport characteristics and the underlying mechanisms of an inertial focusing single particle in a rectangular microchannel. The transport dynamics of a finitesized particle were investigated over wide ranges of Reynolds number (20 < Re < 500) and particle size. The results show that the inner equilibrium positions are more difficult to occur in the rectangular channel, which can be explained by the secondary flow caused by the presence of a finite-sized particle. Furthermore, force decoupling analysis was utilized to study the effect of each type of lift force on the inertia migration, and a theoretical model for the lateral lift force of a finite-sized particle in the rectangular channel was established. Such theoretical model can be used to provide theoretical guidance for the design and operation of inertial microfluidics.Keywords: inertial microfluidics, particle focuse, life force, IB-LBM
Procedia PDF Downloads 721407 Multi-Channel Information Fusion in C-OTDR Monitoring Systems: Various Approaches to Classify of Targeted Events
Authors: Andrey V. Timofeev
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The paper presents new results concerning selection of optimal information fusion formula for ensembles of C-OTDR channels. The goal of information fusion is to create an integral classificator designed for effective classification of seismoacoustic target events. The LPBoost (LP-β and LP-B variants), the Multiple Kernel Learning, and Weighing of Inversely as Lipschitz Constants (WILC) approaches were compared. The WILC is a brand new approach to optimal fusion of Lipschitz Classifiers Ensembles. Results of practical usage are presented.Keywords: Lipschitz Classifier, classifiers ensembles, LPBoost, C-OTDR systems
Procedia PDF Downloads 4611406 Study of Some Aromatic Thiourea Derivatives as Lube Oil Antioxidant
Authors: Rasha S. Kamal, Nehal S. Ahmed, Amal M. Nassar, Nour E. A. Abd El-Sattar
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In the present work, some lube oil antioxidants based on ester of some aromatic thiourea derivative were prepared by two steps: the first step is the reaction of succinyl chloride with ammonium thiocyanate in addition to anthranilic acid as three component system to prepare thiourea derivative (A); the second step is esterification of compound (A) by different alcohol (decyl C₁₀, tetradecyl C₁₄, and octadecyl C₁₈) alcohol. The structures of the prepared compounds were confirmed by infra-red spectroscopy, nuclear magnetic resonance, elemental analysis and determination of the molecular weights. All the prepared compounds were soluble in lube oil. The efficiency of the prepared compounds as antioxidants lube oil additives was investigated and it was found that these prepared compounds give good result as lube oil antioxidant.Keywords: antioxidant lube oil, three component system, aromatic thiourea derivatives, esterification
Procedia PDF Downloads 2441405 Determination of Concentrated State Using Multiple EEG Channels
Authors: Tae Jin Choi, Jong Ok Kim, Sang Min Jin, Gilwon Yoon
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Analysis of EEG brainwave provides information on mental or emotional states. One of the particular states that can have various applications in human machine interface (HMI) is concentration. 8-channel EEG signals were measured and analyzed. The concentration index was compared during resting and concentrating periods. Among eight channels, locations the frontal lobe (Fp1 and Fp2) showed a clear increase of the concentration index during concentration regardless of subjects. The rest six channels produced conflicting observations depending on subjects. At this time, it is not clear whether individual difference or how to concentrate made these results for the rest six channels. Nevertheless, it is expected that Fp1 and Fp2 are promising locations for extracting control signal for HMI applications.Keywords: concentration, EEG, human machine interface, biophysical
Procedia PDF Downloads 4831404 New Refrigerant La₀.₇Ca₀.₁₅Sr₀.₁₅Mn₁₋ₓGaₓO₃ for Application in Magnetic Refrigeration
Authors: Essebti Dhahri
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We present a new refrigerant La₀.₇Ca₀.₁₅Sr₀.₁₅Mn₁₋ₓGaₓO₃ (x = 0.0-0.1) manganites. These compounds were prepared by the sol-gel method. The refinement of the X-ray diffraction reveals that all samples crystallize in a rhombohedral structure (space group R3 ̅c). Detailed measurements of the magnetization as a function of temperature and magnetic applied field M (µ₀H, T) were carried out. From the M(µ₀H, T) curves, we have calculated the magnetic entropy change (ΔSM) according to the Maxwell relation. The temperature dependence of the magnetization M(T) reveals a decrease of M when increasing the x content. The magnetic entropy change (ΔSM) reaches a maximum value near room temperature. It was also found that this compound exhibits a large magnetocaloric effect MCE which increases when decreasing Ga concentration. So, the studied compounds could be considered potential materials for magnetic refrigeration application.Keywords: magnetic measurements, Rietveld refinement, magnetic refrigeration, magnetocaloric effect
Procedia PDF Downloads 891403 Isolation, Characterization and Biological Activities of Compounds Isolated from Callicarpa maingayi
Authors: Muhammad A. Ado, Intan S. Ismail, Hasanah M. Ghazali, Faridah Abas
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In this study, we have investigated the phytochemical constituents of soluble fractions of dichloromethane (DCM) of methanolic leaves extract of the Callicarpa maingayi. The phytochemicals investigation has resulted in the isolation of three triterpenoids (euscaphic acid (1), arjunic acid (2), and ursolic acid (3)) together with two flavones apigenin (4) and acacetin (5)), two phytosterols (stigmasterol 3-O-β-glycopyranoside (6) and sitosterol 3-O-β-glycopyranoside (7)), and one fatty acid (n-hexacosanoic acid (8)). Six (6) compounds isolated from this species were isolated for the first time (1, 2, 3, 4, 5, and 8). Their structures were elucidated and identified by spectral methods of one and two-dimensional NMR techniques, gas chromatography-mass spectrometry, and comparison with the previously reported literature. The biological activity of three compounds (1-3) was carried out on acetylcholinesterase inhibition activity. Compound (3) was found to displayed good inhibition against AChE with an IC₅₀ value of 21.5 ± 0.022 μM.Keywords: acetylcholinesterase, Callicarpa maingayi, euscaphic acid, ursolic acid
Procedia PDF Downloads 1471402 Synthesis of Mg/B Containing Compound in a Modified Microwave Oven
Authors: Gülşah Çelik Gül, Figen Kurtuluş
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Magnesium containing boron compounds with hexagonal structure have been drawn much attention due to their superconductive nature. The main target of this work is new modified microwave oven by on our own has an ability about passing through a gas in the oven medium for attainment of oxygen-free compounds such as c-BN. Mg containing boride was synthesized by modified-microwave method under nitrogen atmosphere using amorphous boron and magnesium source in appropriate molar ratio. Microwave oven with oxygen free environment has been modified to aimed to obtain magnesium boride without oxygen. Characterizations were done by powder X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Mg containing boride, generally named magnesium boride, with amorphous character without oxygen is obtained via designed microwave oven system.Keywords: magnesium containing boron compounds, modified microwave synthesis, powder X-ray diffraction, FTIR
Procedia PDF Downloads 3741401 The Gasification of Fructose in Supercritical Water
Authors: Shyh-Ming Chern, H. Y. Cheng
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Biomass is renewable and sustainable. As an energy source, it will not release extra carbon dioxide into the atmosphere. Hence, tremendous efforts have been made to develop technologies capable of transforming biomass into suitable forms of bio-fuel. One of the viable technologies is gasifying biomass in supercritical water (SCW), a green medium for reactions. While previous studies overwhelmingly selected glucose as a model compound for biomass, the present study adopted fructose for the sake of comparison. The gasification of fructose in SCW was investigated experimentally to evaluate the applicability of supercritical water processes to biomass gasification. Experiments were conducted with an autoclave reactor. Gaseous product mainly consists of H2, CO, CO2, CH4 and C2H6. The effect of two major operating parameters, the reaction temperature (673-873 K) and the dosage of oxidizing agent (0-0.5 stoichiometric oxygen), on the product gas composition, yield and heating value was also examined, with the reaction pressure fixed at 25 MPa.Keywords: biomass, fructose, gasification, supercritical water
Procedia PDF Downloads 3531400 Television Is Useful in Promoting Safe Sexual Practices to Student Populations: A Mixed-Methods Questionnaire Exploring the Impact of Channel Four’s ‘It’s a Sin (2021)’
Authors: Betsy H. Edwards
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Background: Public Health England recognises unprotected sex and consequent transmission of sexually transmitted infections (STIs) as significant problems within student populations. Government surveys show that 50% of sexually-active young adults engage in unprotected sex with new partners, with 10% never using condoms. The recent Channel Four mini-series ‘It’s a Sin’ dramatises the 1980s AIDS epidemic and has been praised for its educational value and for promoting safe sexual practices to its viewers. This mixed-methods questionnaire study aims to investigate whether the series can change attitudes towards safe sex in student populations, can promote the use of condoms in student populations, and whether television, in general, is a useful tool for promoting health education. Methods: A questionnaire, created on Microsoft Forms, was distributed to students at the University of Birmingham via Facebook groups between September 2021 and May 2022. To consent, participants had to be aged 18 or over, a student at the university, have seen the entire series of ‘It’s a Sin’, and read the study information. Data was confidentially stored within the University’s secured OneDrive in accordance with the study’s approved ethics application. Quantitative questions measured participants’ attitudes and behaviours using Likert scales. Qualitative data was analysed using thematic analysis. Quantitative Results: 78 students completed the questionnaire. 43 participants (55%) felt that the series ‘It’s a Sin’ promoted safe sex. 74 participants (96%) and 31 participants (39%) said they were ‘very likely’ or ‘likely’ to use condoms with a casual partner during penetrative sex and oral sex respectively. 27 participants (35%) felt that watching ‘It’s a Sin’ made them more likely to use condoms; of these 27 participants, all were ‘very likely’ or ‘likely’ to use condoms during penetrative sex, and 9 were ‘very likely’ or ‘likely’ to during oral sex. 49 participants (63%) and 53 participants (68%) felt that television is a good way to provide health education and to promote healthy behaviours respectively. Qualitative Results: 56 participants (72%) gave reasons why the series had been associated with an increased uptake in HIV testing. Three themes emerged: increased education and attention, decreased stigmatisation, and relatability of characters on screen. Conclusions: This study suggests that the series ‘It’s a Sin’ can influence attitudes towards and the uptake of safe sexual practices. It would be useful for further research - using larger, randomised samples - to explore impacts upon populations lesser-educated about sexual health, who potentially have more to gain from watching series such as ‘It’s a Sin’.Keywords: GUM, It's a sin, media, sexual health, students, television, tv
Procedia PDF Downloads 981399 Ab initio Simulation of Y2O3 -Doped Cerium Using Heyd–Scuseria–Ernzerhof HSE Hybrid Functional and DFT+U Approaches
Authors: M. Taibeche, L. Guerbous, M. Kechouane, R. Nedjar, T. Zergoug
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It is known that Y2O3 Material is the most important among the sesquioxides within the general class of refractory ceramics. Indeed, this compound has many applications such as sintering optical windows, components for rare-earth doped lasers as well as inorganic scintillators in the detection scintillation. In particular Eu2+ and Ce3+ are favored dopants in many the scintillators due to its allowed optical 5d-4f transition. In this work, we present new results concerning structural and electronic properties of Ce-doped Y2O3, investigated by density functional theory (DFT), using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional and DFT+U two approaches. When, we compared the results from the two methods we obtain a good agreement available experimental data. Furthermore, the effect of cerium on the material has also been studied and discussed in the same framework.Keywords: DFT, vienne ab initio simulation packages, scintillators, Heyd–Scuseria–Ernzerhof (HSE) hybrid functional
Procedia PDF Downloads 5201398 Computing Some Topological Descriptors of Single-Walled Carbon Nanotubes
Authors: Amir Bahrami
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In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index or a descriptor index also known as a connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. Topological indices are used for example in the development of quantitative structure-activity relationships (QSARs) in which the biological activity or other properties of molecules are correlated with their chemical structure. In this paper some descriptor index (descriptor index) of single-walled carbon nanotubes, is determined.Keywords: chemical graph theory, molecular topology, molecular descriptor, single-walled carbon nanotubes
Procedia PDF Downloads 3401397 Bubble Growth in a Two Phase Upward Flow in a Miniature Tube
Authors: R. S. Hassani, S. Chikh, L. Tadrist, S. Radev
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A bubbly flow in a vertical miniature tube is analyzed theoretically. The liquid and gas phase are co-current flowing upward. The gas phase is injected via a nozzle whose inner diameter is 0.11mm and it is placed on the axis of the tube. A force balance is applied on the bubble at its detachment. The set of governing equations are solved by use of Mathematica software. The bubble diameter and the bubble generation frequency are determined for various inlet phase velocities represented by the inlet mass quality. The results show different behavior of bubble growth and detachment depending on the tube size.Keywords: two phase flow, bubble growth, mini-channel, generation frequency
Procedia PDF Downloads 4341396 Identification of Synthetic Hybrids of 4-Thiazolidinone-Bromopyrrole Alkaloid as HIV-1 RT Inhibitors
Authors: Rajesh A. Rane, Shital S. Naphade, Rajshekhar Karpoormath
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Thiozolidin-4-one, a mimic of thiazolobenzimidazole (TBZ) has drawn many attentions due to its potent and selective inhibition against the HIV-1 and low toxicity by binding to the allosteric site of the reverse transcriptase (RT) as a non-nucleoside RT inhibitor (NNRTI). Similarly, marine bromopyrrole alkaloids are well known for their diverse array of anti-infective properties. Hence, we have reported synthesis and in vitro HIV-1 RT inhibitory activity of a series of 4-thiazolidinone-bromopyrrole alkaloid hybrids tethered with amide linker. The results of in vitro HIV-1 RT kit assay showed that some of the compounds, such as 4c, 4d, and 4i could effectively inhibit RT activity. Among them, compounds 4c having 4-chlorophenyl substituted 4-thiazolidione ring was the best one with the IC50 value of 0.26 µM. The sturdy emerges with key structure-activity relationship that pyrrole-NH-free core benefited inhibition against HIV-1 RT inhibition. This study identified conjugate 4c with potent activity and selectivity as promising compound for further drug development to HIV.Keywords: antiviral drugs, bromopyrrole alkaloids, HIV-1 RT inhibition, 4-thiazolidinone
Procedia PDF Downloads 4591395 Investigation of the Effects of Simple Heating Processes on the Crystallization of Bi₂WO₆
Authors: Cisil Gulumser, Francesc Medina, Sevil Veli
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In this study, the synthesis of photocatalytic Bi₂WO₆ was practiced with simple heating processes and the effects of these treatments on the production of the desired compound were investigated. For this purpose, experiments with Bi(NO₃)₃.5H₂O and H₂WO₄ precursors were carried out to synthesize Bi₂WO₆ by four different combinations. These four combinations were grouped in two main sets as ‘treated in microwave reactor’ and ‘directly filtrated’; additionally these main sets were grouped into two subsets as ‘calcined’ and ‘not calcined’. Calcination processes were conducted at temperatures of 400ᵒC, 600ᵒC, and 800ᵒC. X-ray diffraction (XRD) and environmental scanning electron microscopy (ESEM) analyses were performed in order to investigate the crystal structure of powdered product synthesized with each combination. The highest crystallization of produced compounds was observed for calcination at 600ᵒC from each main group.Keywords: bismuth tungstate, crystallization, microwave, photocatalysts
Procedia PDF Downloads 1751394 Sulfur Removal of Hydrocarbon Fuels Using Oxidative Desulfurization Enhanced by Fenton Process
Authors: Mahsa Ja’fari, Mohammad R. Khosravi-Nikou, Mohsen Motavassel
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A comprehensive development towards the production of ultra-clean fuels as a feed stoke is getting to raise due to the increasing use of diesel fuels and global air pollution. Production of environmental-friendly fuels can be achievable by some limited single methods and most integrated ones. Oxidative desulfurization (ODS) presents vast ranges of technologies possessing suitable characteristics with regard to the Fenton process. Using toluene as a model fuel feed with dibenzothiophene (DBT) as a sulfur compound under various operating conditions is the attempt of this study. The results showed that this oxidative process followed a pseudo-first order kinetics. Removal efficiency of 77.43% is attained under reaction time of 40 minutes with (Fe+2/H2O2) molar ratio of 0.05 in acidic pH environment. In this research, temperature of 50 °C represented the most influential role in proceeding the reaction.Keywords: design of experiment (DOE), dibenzothiophene (DBT), optimization, oxidative desulfurization (ODS)
Procedia PDF Downloads 2181393 Path-Spin to Spin-Spin Hybrid Quantum Entanglement: A Conversion Protocol
Authors: Indranil Bayal, Pradipta Panchadhyayee
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Path-spin hybrid entanglement generated and confined in a single spin-1/2 particle is converted to spin-spin hybrid interparticle entanglement, which finds its important applications in quantum information processing. This protocol uses beam splitter, spin flipper, spin measurement, classical channel, unitary transformations, etc., and requires no collective operation on the pair of particles whose spin variables share complete entanglement after the accomplishment of the protocol. The specialty of the protocol lies in the fact that the path-spin entanglement is transferred between spin degrees of freedom of two separate particles initially possessed by a single party.Keywords: entanglement, path-spin entanglement, spin-spin entanglement, CNOT operation
Procedia PDF Downloads 1991392 Investigating the Form of the Generalised Equations of Motion of the N-Bob Pendulum and Computing Their Solution Using MATLAB
Authors: Divij Gupta
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Pendular systems have a range of both mathematical and engineering applications, ranging from modelling the behaviour of a continuous mass-density rope to utilisation as Tuned Mass Dampers (TMD). Thus, it is of interest to study the differential equations governing the motion of such systems. Here we attempt to generalise these equations of motion for the plane compound pendulum with a finite number of N point masses. A Lagrangian approach is taken, and we attempt to find the generalised form for the Euler-Lagrange equations of motion for the i-th bob of the N -bob pendulum. The co-ordinates are parameterized as angular quantities to reduce the number of degrees of freedom from 2N to N to simplify the form of the equations. We analyse the form of these equations up to N = 4 to determine the general form of the equation. We also develop a MATLAB program to compute a solution to the system for a given input value of N and a given set of initial conditions.Keywords: classical mechanics, differential equation, lagrangian analysis, pendulum
Procedia PDF Downloads 2111391 Benefits of Monitoring Acid Sulfate Potential of Coffee Rock (Indurated Sand) across Entire Dredge Cycle in South East Queensland
Authors: S. Albert, R. Cossu, A. Grinham, C. Heatherington, C. Wilson
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Shipping trends suggest increasing vessel size and draught visiting Australian ports highlighting potential challenges to port infrastructure and requiring optimization of shipping channels to ensure safe passage for vessels. The Port of Brisbane in Queensland, Australia has an 80 km long access shipping channel which vessels must transit 15 km of relatively shallow coffee rock (generic class of indurated sands where sand grains are bound within an organic clay matrix) outcrops towards the northern passage in Moreton Bay. This represents a risk to shipping channel deepening and maintenance programs as the dredgeability of this material is more challenging due to its high cohesive strength compared with the surrounding marine sands and potential higher acid sulfate risk. In situ assessment of acid sulfate sediment for dredge spoil control is an important tool in mitigating ecological harm. The coffee rock in an anoxic undisturbed state does not pose any acid sulfate risk, however when disturbed via dredging it’s vital to ensure that any present iron sulfides are either insignificant or neutralized. To better understand the potential risk we examined the reduction potential of coffee rock across the entire dredge cycle in order to accurately portray the true outcome of disturbed acid sulfate sediment in dredging operations in Moreton Bay. In December 2014 a dredge trial was undertaken with a trailing suction hopper dredger. In situ samples were collected prior to dredging revealed acid sulfate potential above threshold guidelines which could lead to expensive dredge spoil management. However, potential acid sulfate risk was then monitored in the hopper and subsequent discharge, both showing a significant reduction in acid sulfate potential had occurred. Additionally, the acid neutralizing capacity significantly increased due to the inclusion of shell fragments (calcium carbonate) from the dredge target areas. This clearly demonstrates the importance of assessing potential acid sulfate risk across the entire dredging cycle and highlights the need to carefully evaluate sources of acidity.Keywords: acid sulfate, coffee rock, indurated sand, dredging, maintenance dredging
Procedia PDF Downloads 368