Search results for: work stress
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 16379

Search results for: work stress

3539 Breastfeeding Knowledge, Attitudes and Practice: A Cross-Sectional Study among a Sample of Tunisian Mothers

Authors: Arfaoui Emna, Nouira Mariem

Abstract:

Background and aims: Breastfeeding is the reference feeding for a child, especially during the first months of life. It is not widespread in many countries due to many factors. There has been a decline in exclusive breastfeeding (EB) practice, particularly in the middle- and low-income countries, i.e., Tunisia. The aim of our study was to describe the knowledge, attitudes, and practice of a sample of Tunisian mothers toward breastfeeding. Methods: It was a descriptive cross-sectional study conducted during the year 2022 over a period of two months in three health structures in the north of Tunisia among mothers of infants aged 2 to 18 months. Levels of mothers’ knowledge (low/moderate/high) were determined using a score ranging from 0 to 11 points. EB was defined as the proportion of infants who were exclusively breastfed during the first six months of life. Results: A total of 180 women with a mean age of 33±4.9 years were included. The average knowledge score was equal to 6.4 ±1.5 points, with extremes ranging from 3 to 11 points. Most of the respondents had a moderate knowledge level (44.4%). More than half of surveyed mothers (66.1%) thought that breastfeeding deforms breasts, and 16.7% thought that breastfeeding is specific to women who do not work. Breastfeeding experience during the first week of life was considered difficult in 70% of cases. The prevalence of EB up to 6 months of age was equal to 16.4% [10.8-23.2]. The main reported obstacles during breastfeeding practice were having an insufficient quantity of breast milk (18.3%) and child difficulties with sucking (12.8%), and having pain in the breast while breastfeeding (12.80%). Conclusion: Our results highlighted the insufficient level of knowledge and a low prevalence of EB in our study population. Improving mothers’ knowledge and promoting EB practice is needed. Implementing health education strategies involving healthcare workers, who represent a main actor in education and breastfeeding promotion, is very important to reach a satisfactory frequency for EB.

Keywords: breastfeeding, practices, knowledge, Tunisia

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3538 Effect of Fire Retardant Painting Product on Smoke Optical Density of Burning Natural Wood Samples

Authors: Abdullah N. Olimat, Ahmad S. Awad, Faisal M. AL-Ghathian

Abstract:

Natural wood is used in many applications in Jordan such as furniture, partitions constructions, and cupboards. Experimental work for smoke produced by the combustion of certain wood samples was studied. Smoke generated from burning of natural wood, is considered as a major cause of death in furniture fires. The critical parameter for life safety in fires is the available time for escape, so the visual obscuration due to smoke release during fire is taken into consideration. The effect of smoke, produced by burning of wood, depends on the amount of smoke released in case of fire. The amount of smoke production, apparently, affects the time available for the occupants to escape. To achieve the protection of life of building occupants during fire growth, fire retardant painting products are tested. The tested samples of natural wood include Beech, Ash, Beech Pine, and white Beech Pine. A smoke density chamber manufactured by fire testing technology has been used to perform measurement of smoke properties. The procedure of test was carried out according to the ISO-5659. A nonflammable vertical radiant heat flux of 25 kW/m2 is exposed to the wood samples in a horizontal orientation. The main objective of the current study is to carry out the experimental tests for samples of natural woods to evaluate the capability to escape in case of fire and the fire safety requirements. Specific optical density, transmittance, thermal conductivity, and mass loss are main measured parameters. Also, comparisons between samples with paint and with no paint are carried out between the selected samples of woods.

Keywords: extinction coefficient, optical density, transmittance, visibility

Procedia PDF Downloads 210
3537 Understanding the Impact of Ephemerality and Mobility on Social Media News: A Content Analysis of News on Snapchat

Authors: Chelsea Peterson-Salahuddin

Abstract:

Over the past decade, news outlets have increasingly used social media as a means to create and distribute news content to audiences. Ephemerality, the transitory nature of media, and mobility, media viewing on mobile technologies, are two increasingly salient attributes of social media content; yet little is known about how these features influence news selection practices of news outlets when distributing news via social media. To account for this gap, this study examines the influences of ephemerality and mobility on social media news content on the social media application Snapchat, in order to understand how these qualities of digital media influence and shape news content. Findings from this study suggest that understandings of ephemerality and mobility play a key role in influencing social media news. This paper suggests that as these factors become increasingly salient in our dominant news viewing environments, being able to understand how they manifest themselves in online news reporting practices is critical for both scholars and practitioners of news as they aim to understand what 'newsworthiness' means in the current, digital age. Findings from this study also enhance our current understandings of how the technological affordances of online and digital media platforms play a key role in shaping the kinds being produced and what information is being prioritized and highlighted in our contemporary news media environment. This is especially important in our current era where new mediums and technologies for news dissemination are continuously arising, and reorienting our understandings of what is considered ‘news'. As a key site of mass communication, discourse, and stories highlighted in the news do critical work in defining culture and ideology. Thus, better understanding the contours of news in our contemporary moment is critical in understanding cultural norms and meaning-making.

Keywords: content analysis, ephemerality, mobile communication, social media news

Procedia PDF Downloads 111
3536 Mathematical Analysis of Variation in Inlet Shock Wave Angle on Specific Impulse of Scramjet Engine

Authors: Shrikant Ghadage

Abstract:

Study of shock waves generated in the Scramjet engine is typically restricted to pressure, temperature, density, entropy and Mach number variation across the shock wave. The present work discusses the impact of inlet shock wave angles on the specific impulse of the Scramjet engine. A mathematical analysis has done for the isentropic hypersonic flow of air flowing through a Scramjet with hydrogen fuel at an altitude of 30 km. Analysis has been done in order to get optimum shock wave angle to achieve maximum impulse. Since external drag has excluded from the analysis, the losses due to friction are not considered for the present analysis. When Mach number of the airflow at the entry of the nozzle reaches unity, then that flow is choked. This condition puts limitations on increasing the inlet shock wave angle. As inlet shock wave angle increases, speed of the flow entering into the nozzle decreases, which results in an increase in the specific impulse of the engine. When the speed of the flow at the entry of the nozzle reduces below sonic speed, then there is no further increase in the specific impulse of the engine. Here the Conclusion is the thrust and specific impulse of a scramjet engine, which increases gradually with an increase in inlet shock wave angle up to the condition when airflow speed reaches sonic velocity at the exit of the combustor. In addition to that, variation in drag force at the inlet of the scramjet and variation in hypersonic flow conditions at every stage of the scramjet also studied in order to understand variation on flow characteristics with respect to flow deflection angle. Essentially, it helps in designing inlet profile for the Scramjet engine to achieve optimum specific impulse.

Keywords: hypersonic flow, scramjet, shock waves, specific impulse, mathematical analysis

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3535 Topology Optimization of Heat and Mass Transfer for Two Fluids under Steady State Laminar Regime: Application on Heat Exchangers

Authors: Rony Tawk, Boutros Ghannam, Maroun Nemer

Abstract:

Topology optimization technique presents a potential tool for the design and optimization of structures involved in mass and heat transfer. The method starts with an initial intermediate domain and should be able to progressively distribute the solid and the two fluids exchanging heat. The multi-objective function of the problem takes into account minimization of total pressure loss and maximization of heat transfer between solid and fluid subdomains. Existing methods account for the presence of only one fluid, while the actual work extends optimization distribution of solid and two different fluids. This requires to separate the channels of both fluids and to ensure a minimum solid thickness between them. This is done by adding a third objective function to the multi-objective optimization problem. This article uses density approach where each cell holds two local design parameters ranging from 0 to 1, where the combination of their extremums defines the presence of solid, cold fluid or hot fluid in this cell. Finite volume method is used for direct solver coupled with a discrete adjoint approach for sensitivity analysis and method of moving asymptotes for numerical optimization. Several examples are presented to show the ability of the method to find a trade-off between minimization of power dissipation and maximization of heat transfer while ensuring the separation and continuity of the channel of each fluid without crossing or mixing the fluids. The main conclusion is the possibility to find an optimal bi-fluid domain using topology optimization, defining a fluid to fluid heat exchanger device.

Keywords: topology optimization, density approach, bi-fluid domain, laminar steady state regime, fluid-to-fluid heat exchanger

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3534 A Structure-Switching Electrochemical Aptasensor for Rapid, Reagentless and Single-Step, Nanomolar Detection of C-Reactive Protein

Authors: William L. Whitehouse, Louisa H. Y. Lo, Andrew B. Kinghorn, Simon C. C. Shiu, Julian. A. Tanner

Abstract:

C-reactive protein (CRP) is an acute-phase reactant and sensitive indicator for sepsis and other life-threatening pathologies, including systemic inflammatory response syndrome (SIRS). Currently, clinical turn-around times for established CRP detection methods take between 30 minutes to hours or even days from centralized laboratories. Here, we report the development of an electrochemical biosensor using redox probe-tagged DNA aptamers functionalized onto cheap, commercially available screen-printed electrodes. Binding-induced conformational switching of the CRP-targeting aptamer induces a specific and selective signal-ON event, which enables single-step and reagentless detection of CRP in as little as 1 minute. The aptasensor dynamic range spans 5-1000nM (R=0.97) or 5-500nM (R=0.99) in 50% diluted human serum, with a LOD of 3nM, corresponding to 2-orders of magnitude sensitivity under the clinically relevant cut-off for CRP. The sensor is stable for up to one week and can be reused numerous times, as judged from repeated real-time dosing and dose-response assays. By decoupling binding events from the signal induction mechanism, structure-switching electrochemical aptamer-based sensors (SS-EABs) provide considerable advantages over their adsorption-based counterparts. Our work expands on the retinue of such sensors reported in the literature and is the first instance of an SS-EAB for reagentless CRP detection. We hope this study can inspire further investigations into the suitability of SS-EABs for diagnostics, which will aid translational R&D toward fully realized devices aimed at point-of-care applications or for use more broadly by the public.

Keywords: structure-switching, C-reactive protein, electrochemical, biosensor, aptasensor.

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3533 Emotion Detection in Twitter Messages Using Combination of Long Short-Term Memory and Convolutional Deep Neural Networks

Authors: Bahareh Golchin, Nooshin Riahi

Abstract:

One of the most significant issues as attended a lot in recent years is that of recognizing the sentiments and emotions in social media texts. The analysis of sentiments and emotions is intended to recognize the conceptual information such as the opinions, feelings, attitudes and emotions of people towards the products, services, organizations, people, topics, events and features in the written text. These indicate the greatness of the problem space. In the real world, businesses and organizations are always looking for tools to gather ideas, emotions, and directions of people about their products, services, or events related to their own. This article uses the Twitter social network, one of the most popular social networks with about 420 million active users, to extract data. Using this social network, users can share their information and opinions about personal issues, policies, products, events, etc. It can be used with appropriate classification of emotional states due to the availability of its data. In this study, supervised learning and deep neural network algorithms are used to classify the emotional states of Twitter users. The use of deep learning methods to increase the learning capacity of the model is an advantage due to the large amount of available data. Tweets collected on various topics are classified into four classes using a combination of two Bidirectional Long Short Term Memory network and a Convolutional network. The results obtained from this study with an average accuracy of 93%, show good results extracted from the proposed framework and improved accuracy compared to previous work.

Keywords: emotion classification, sentiment analysis, social networks, deep neural networks

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3532 Physical Modeling of Woodwind Ancient Greek Musical Instruments: The Case of Plagiaulos

Authors: Dimitra Marini, Konstantinos Bakogiannis, Spyros Polychronopoulos, Georgios Kouroupetroglou

Abstract:

Archaemusicology cannot entirely depend on the study of the excavated ancient musical instruments as most of the time their condition is not ideal (i.e., missing/eroded parts) and moreover, because of the concern damaging the originals during the experiments. Researchers, in order to overcome the above obstacles, build replicas. This technique is still the most popular one, although it is rather expensive and time-consuming. Throughout the last decades, the development of physical modeling techniques has provided tools that enable the study of musical instruments through their digitally simulated models. This is not only a more cost and time-efficient technique but also provides additional flexibility as the user can easily modify parameters such as their geometrical features and materials. This paper thoroughly describes the steps to create a physical model of a woodwind ancient Greek instrument, Plagiaulos. This instrument could be considered as the ancestor of the modern flute due to the common geometry and air-jet excitation mechanism. Plagiaulos is comprised of a single resonator with an open end and a number of tone holes. The combination of closed and open tone holes produces the pitch variations. In this work, the effects of all the instrument’s components are described by means of physics and then simulated based on digital waveguides. The synthesized sound of the proposed model complies with the theory, highlighting its validity. Further, the synthesized sound of the model simulating the Plagiaulos of Koile (2nd century BCE) was compared with its replica build in our laboratory by following the scientific methodologies of archeomusicology. The aforementioned results verify that robust dynamic digital tools can be introduced in the field of computational, experimental archaemusicology.

Keywords: archaeomusicology, digital waveguides, musical acoustics, physical modeling

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3531 Application of the Best Technique for Estimating the Rest-Activity Rhythm Period in Shift Workers

Authors: Rakesh Kumar Soni

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Under free living conditions, human biological clocks show a periodicity of 24 hour for numerous physiological, behavioral and biochemical variables. However, this period is not the original period; rather it merely exhibits synchronization with the solar clock. It is, therefore, most important to investigate characteristics of human circadian clock, essentially in shift workers, who normally confront with contrasting social clocks. Aim of the present study was to investigate rest-activity rhythm and to vouch for the best technique for the computation of periods in this rhythm in subjects randomly selected from different groups of shift workers. The rest-activity rhythm was studied in forty-eight shift workers from three different organizations, namely Newspaper Printing Press (NPP), Chhattisgarh State Electricity Board (CSEB) and Raipur Alloys (RA). Shift workers of NPP (N = 20) were working on a permanent night shift schedule (NS; 20:00-04:00). However, in CSEB (N = 14) and RA (N = 14), shift workers were working in a 3-shift system comprising of rotations from night (NS; 22:00-06:00) to afternoon (AS; 14:00-22:00) and to morning shift (MS; 06:00-14:00). Each subject wore an Actiwatch (AW64, Mini Mitter Co. Inc., USA) for 7 and/or 21 consecutive days, only after furnishing a certificate of consent. One-minute epoch length was chosen for the collection of wrist activity data. Period was determined by using Actiware sleep software (Periodogram), Lomb-Scargle Periodogram (LSP) and Spectral analysis software (Spectre). Other statistical techniques, such as ANOVA and Duncan’s multiple-range test were also used whenever required. A statistically significant circadian rhythm in rest-activity, gauged by cosinor, was documented in all shift workers, irrespective of shift work. Results indicate that the efficiency of the technique to determine the period (τ) depended upon the clipping limits of the τs. It appears that the technique of spectre is more reliable.

Keywords: biological clock, rest activity rhythm, spectre, periodogram

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3530 Preparation and Optimization of Curcumin-HPβCD Complex Bioadhesive Vaginal Films for Vaginal Candidiasis by Factorial Design

Authors: Umme Hani, H. G. Shivakumar, M. D. Younus Pasha

Abstract:

The purpose of this work was to design and optimize a novel vaginal drug delivery system for more effective treatment against vaginal candidiasis. To achieve a better therapeutic efficacy and patient compliance in the treatment for vaginal candidiasis, herbal antifungal agent Curcumin which is 2.5 fold more potent than fluconazole at inhibiting the adhesion of candida albicans has been formulated in a bio-adhesive vaginal film. Curcumin was formulated in bio-adhesive film formulations that could be retained in the vagina for prolonged intervals. The polymeric films were prepared by solvent evaporation and optimized for various physicodynamic and aesthetic properties. Curcumin HPβCD (Hydroxypropyl β Cyclodextrin) was first developed to increase the solubility of curcumin. The formation of the Curcumin HPβCD complex was characterized by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and FT-IR and evaluated for its solubility. Curcumin HPβCD complex was formulated in a bio-adhesive film using hydroxypropyl methyl cellulose (HPMC) and Carbopol 934P and characterized. DSC and FT-IR data of Curcumin HPβCD indicate there was complex formation between the drug and HPβCD. The little moisture content (8.02±0.34% w/w) was present in the film, which helps them to remain stable and kept them from being completely dry and brittle. The mechanical properties, tensile strength, and percentage elongation at break reveal that the formulations were found to be soft and tough. The films showed good peelability, relatively good swelling index, and moderate tensile strength and retained vaginal mucosa up to 8 h. The developed Curcumin vaginal film could be a promising safe herbal medication and can ensure longer residence at the vagina and provide an efficient therapy for vaginal candidiasis.

Keywords: curcumin, curcumin-HPβCD complex, bio-adhesive vaginal film, vaginal candidiasis, 23 factorial design

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3529 Preparation Static Dissipative Nanocomposites of Alkaline Earth Metal Doped Aluminium Oxide and Methyl Vinyl Silicone Polymer

Authors: Aparna M. Joshi

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Methyl vinyl silicone polymer (VMQ) - alkaline earth metal doped aluminium oxide composites are prepared by conventional two rolls open mill mixing method. Doped aluminium oxides (DAO) using silvery white coloured alkaline earth metals such as Mg and Ca as dopants in the concentration of 0.4 % are synthesized by microwave combustion method and referred as MA ( Mg doped aluminium oxide) and CA ( Ca doped aluminium oxide). The as-synthesized materials are characterized for the electrical resistance, X–ray diffraction, FE-SEM, TEM and FTIR. The electrical resistances of the DAOs are observed to be ~ 8-20 MΩ. This means that the resistance of aluminium oxide (Corundum) α-Al2O3 which is ~ 1010Ω is reduced by the order of ~ 103 to 104 Ω after doping. XRD studies reveal the doping of Mg and Ca in aluminium oxide. The microstructural study using FE-SEM shows the flaky clusterous structures with the thickness of the flakes between 10 and 20 nm. TEM images depict the rod-shaped morphological geometry of the particles with the diameter of ~50-70 nm. The nanocomposites are synthesized by incorporating the DAOs in the concentration of 75 phr (parts per hundred parts of rubber) into VMQ polymer. The electrical resistance of VMQ polymer, which is ~ 1015Ω, drops by the order of 108Ω. There is a retention of the electrical resistance of ~ 30-50 MΩ for the nanocomposites which is a static dissipative range of electricity. In this work white coloured electrically conductive VMQ polymer-DAO nanocomposites (MAVMQ for Mg doping and CAVMQ for Ca doping) have been synthesized. The physical and mechanical properties of the composites such as specific gravity, hardness, tensile strength and rebound resilience are measured. Hardness and tensile strength are found to increase, with the negligible alteration in the other properties.

Keywords: doped aluminium oxide, methyl vinyl silicone polymer, microwave synthesis, static dissipation

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3528 Maternal Review: Challenges Experienced by Midwives in Malawi

Authors: Mercy D. Chirwa, Juliet Nyasulu, Lebisti Modiba, Makombo Ganga-Limando

Abstract:

Maternal death review is an initiative that provides a deeper understanding of the causes and circumstances sorounding of maternal deaths in Malawi and globally. Midwives are frontline members of the healthcare team and have stories about what pregnant women go through as such they are better placed to contribute to these reviews. Despite midwives’ participation as members of the facility-based maternal death review team, maternal deaths continues to occur. A lot has been documented around processes involved in maternal review, however, not much has been written around challenges experienced by midwives in maternal death review. This study explored the challenges faced by midwives in the implementation of maternal death reviews in the context of the healthcare system in Malawi. Methodology: This was a qualitative exploratory study design. Focus group discussions and individual face-to-face interviews were used to collect data in the study. A total of 40 midwives, who met the inclusion criteria, participated in the study. Data was analysed manually using a thematic content procedure. Findings: The four major challenges identified were: knowledge and skill gaps; lack of leadership and accountability; lack of institutional political will and inconsistency in conducting FBMDR, impeding midwives’ effective contribution to the implementation of maternal death review. The practical solutions and recommendations that emerged were: need-based knowledge and skills updates, supportive leadership, effective and efficient interdisciplinary work ethics, and sustained availability of material and human resources. Conclusion: Midwives have the highest potential to contribute to the reduction of maternal deaths. Practice development strategies are required to improve their practice in all the areas they are challenged with.

Keywords: facility-based maternal death review, maternal deaths, midwife, midwife challenges

Procedia PDF Downloads 41
3527 Magnetic versus Non-Magnetic Adatoms in Graphene Nanoribbons: Tuning of Spintronic Applications and the Quantum Spin Hall Phase

Authors: Saurabh Basu, Sudin Ganguly

Abstract:

Conductance in graphene nanoribbons (GNR) in presence of magnetic (for example, Iron) and non-magnetic (for example, Gold) adatoms are explored theoretically within a Kane-Mele model for their possible spintronic applications and topologically non-trivial properties. In our work, we have considered the magnetic adatoms to induce a Rashba spin-orbit coupling (RSOC) and an exchange bias field, while the non-magnetic ones induce an RSOC and an intrinsic spin-orbit (SO) coupling. Even though RSOC is present in both, they, however, represent very different physical situations, where the magnetic adatoms do not preserve the time reversal symmetry, while the non-magnetic case does. This has important implications on the topological properties. For example, the non-magnetic adatoms, for moderately strong values of SO, the GNR denotes a quantum spin Hall insulator as evident from a 2e²/h plateau in the longitudinal conductance and presence of distinct conducting edge states with an insulating bulk. Since the edge states are protected by time reversal symmetry, the magnetic adatoms in GNR yield trivial insulators and do not possess any non-trivial topological property. However, they have greater utility than the non-magnetic adatoms from the point of view of spintronic applications. Owing to the broken spatial symmetry induced by the presence of adatoms of either type, all the x, y and z components of the spin-polarized conductance become non-zero (only the y-component survives in pristine Graphene owing to a mirror symmetry present there) and hence become suitable for spintronic applications. However, the values of the spin polarized conductances are at least two orders of magnitude larger in the case of magnetic adatoms than their non-magnetic counterpart, thereby ensuring more efficient spintronic applications. Further the applications are tunable by altering the adatom densities.

Keywords: magnetic and non-magnetic adatoms, quantum spin hall phase, spintronic applications, spin polarized conductance, time reversal symmetry

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3526 Receptor-Independent Effects of Endocannabinoid Anandamide on Contractility and Electrophysiological Properties of Rat Ventricular Myocytes

Authors: Lina T. Al Kury, Oleg I. Voitychuk, Ramiz M. Ali, Sehamuddin Galadari, Keun-Hang Susan Yang, Frank Christopher Howarth, Yaroslav M. Shuba, Murat Oz

Abstract:

A role for anandamide (N-arachidonoyl ethanolamide; AEA), a major endocannabinoid, in the cardiovascular system in various pathological conditions has been reported in earlier studies. In the present work, we have hypothesized that the antiarrhythmic effects reported for AEA are due to its negative inotropic effect and altered action potential (AP) characteristics. Therefore, we tested the effects of AEA on contractility and electrophysiological properties of rat ventricular myocytes. Video edge detection was used to measure myocyte shortening. Intracellular Ca2+ was measured in cells loaded with the fluorescent indicator fura-2 AM. Whole-cell patch-clamp technique was employed to investigate the effect of AEA on the characteristics of APs. AEA (1 μM) caused a significant decrease in the amplitudes of electrically-evoked myocyte shortening and Ca2+ transients and significantly decreased the duration of AP. The effect of AEA on myocyte shortening and AP characteristics was not altered in the presence of pertussis toxin (PTX, 2 µg/ml for 4 h), AM251 and SR141716 (cannabinoid type 1 receptor antagonists) or AM630 and SR 144528 (cannabinoid type 2 receptor antagonists). Furthermore, AEA inhibited voltage-activated inward Na+ (INa) and Ca2+ (IL,Ca) currents; major ionic currents shaping the APs in ventricular myocytes, in a voltage and PTX-independent manner. Collectively, the results suggest that AEA depresses ventricular myocyte contractility, by decreasing the action potential duration (APD), and inhibits the function of voltage-dependent Na+ and L-type Ca2+ channels in a manner independent of cannabinoid receptors. This mechanism may be importantly involved in the antiarrhythmic effects of anandamide.

Keywords: action potential, anandamide, cannabinoid receptor, endocannabinoid, ventricular myocytes

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3525 A Geometrical Multiscale Approach to Blood Flow Simulation: Coupling 2-D Navier-Stokes and 0-D Lumped Parameter Models

Authors: Azadeh Jafari, Robert G. Owens

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In this study, a geometrical multiscale approach which means coupling together the 2-D Navier-Stokes equations, constitutive equations and 0-D lumped parameter models is investigated. A multiscale approach, suggest a natural way of coupling detailed local models (in the flow domain) with coarser models able to describe the dynamics over a large part or even the whole cardiovascular system at acceptable computational cost. In this study we introduce a new velocity correction scheme to decouple the velocity computation from the pressure one. To evaluate the capability of our new scheme, a comparison between the results obtained with Neumann outflow boundary conditions on the velocity and Dirichlet outflow boundary conditions on the pressure and those obtained using coupling with the lumped parameter model has been performed. Comprehensive studies have been done based on the sensitivity of numerical scheme to the initial conditions, elasticity and number of spectral modes. Improvement of the computational algorithm with stable convergence has been demonstrated for at least moderate Weissenberg number. We comment on mathematical properties of the reduced model, its limitations in yielding realistic and accurate numerical simulations, and its contribution to a better understanding of microvascular blood flow. We discuss the sophistication and reliability of multiscale models for computing correct boundary conditions at the outflow boundaries of a section of the cardiovascular system of interest. In this respect the geometrical multiscale approach can be regarded as a new method for solving a class of biofluids problems, whose application goes significantly beyond the one addressed in this work.

Keywords: geometrical multiscale models, haemorheology model, coupled 2-D navier-stokes 0-D lumped parameter modeling, computational fluid dynamics

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3524 Design, Synthesis and Pharmacological Investigation of Novel 2-Phenazinamine Derivatives as a Mutant BCR-ABL (T315I) Inhibitor

Authors: Gajanan M. Sonwane

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Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.

Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine

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3523 Synthesis and Anticancer Evaluation of Substituted 2-(3,4-Dimethoxyphenyl) Benzazoles

Authors: Cigdem Karaaslan, Yalcin Duydu, Aylin Ustundag, Can Ozgur Yalcın, Hakan Goker

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Benzazole nucleus is found in the structure of many compounds as anticancer agents. Bendamustine (Alkylating agent), Nocodazole (Mitotic inhibitor), Veliparib (PARP inhibitor), Glasdegib (SMO inhibitor) are clinically used as anticancer therapeutics which bearing benzimidazole moiety. Based on the principle of bioisosterism in the present work, 23 compounds belonging to 2-(3,4-dimethoxy-phenyl) benzazoles and imidazopyridine series were synthesized and evaluated for their anticancer activities. N-(5-Chloro-2-hydroxyphenyl)-3,4-dimethoxybenzamide, was obtained by the amidation of 2-hydroxy-5-chloroaniline with 3,4-dimethoxybenzoic acid by using 1,1'-carbonyldiimidazole. Cyclization of benzamide derivative to benzoxazole, was achieved by p-toluenesulfonic acid. Other 1H-benz (or pyrido) azoles were prepared by the reaction between 2-aminothiophenol, o-phenylenediamine, o-pyridinediamine with sodium metabisulfite adduct of 3,4-dimethoxybenzaldehyde. The NMR assignments of the dimethoxy groups were established by the Nuclear Overhauser Effect Spectroscopy. A compound named, 5(4),7(6)-Dichloro-2-(3,4-dimethoxy) phenyl-1H-benzimidazole, bearing two chlorine atoms at the 5(4) and 7(6) positions of the benzene moiety of benzimidazole was found the most potent analogue, against A549 cells with the GI50 value of 1.5 µg/mL. In addition, 2-(3,4-Dimethoxyphenyl)-5,6-dimethyl-1H-benzimi-dazole showed remarkable cell growth inhibition against MCF-7 and HeLa cells with the GI₅₀ values of 7 and 5.5 µg/mL, respectively. It could be concluded that introduction of di-chloro atoms at the phenyl ring of 2-(3,4-dimethoxyphenyl)-1H-benzimidazoles increase significant cytotoxicity to selected human tumor cell lines in comparison to other all benzazoles synthesized in this study. Unsubstituted 2-(3,4-dimethoxyphenyl) imidazopyridines also gave the good inhibitory profile against A549 and HeLa cells.

Keywords: 3, 4-Dimethoxyphenyl, 1H-benzimidazole, benzazole, imidazopyridine

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3522 Review and Analysis of Sustainable-Based Risk Management in Humanitarian Supply Chains

Authors: Marinko Maslaric, Maja Jokic

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When searching for fast and long term responses, sustainable logistics and supply chain applications have developed irrefutable theories and hypotheses towards market requirements. Nevertheless, there are certain misunderstandings on how the implementation of sustainability principles (social, economical, and environmental) and concepts should work in practice, more specifically, within a humanitarian supply chain management context. This paper will focus on the review and analysis of risk management concepts in humanitarian supply chain in order to identify their compliance with sustainable principles. In this direction, the study will look for strategies that suggest: minimization of environmental impacts throughout the reduction of resources consumption, depreciation of logistics costs, including supply chain ones, minimization of transportation and service costs, elaboration of quality performance of supply chain and logistics, and reduction of supply chain delivery time. On the side of meeting all defense, trades and humanitarian logistics needs, the research will be aligned to UN Sustainable Development Goals, standards, and performances. It will start with relevant strategies for identification of risk indicators and it will end with suggestion of valuable strategic approaches for their minimization or total prevention. Finally, a content analysis will propose a suitable methodological structure for the creation of most sustainable strategy in risk management of humanitarian supply chain. Content analysis will accompany thorough, consistent and methodical approach of literature review for potential disaster risk management plan. Thereupon, the propositions of this research will look for contemporary literature gaps, with respect to operate the literature analysis and to suggest the appropriate sustained risk low master plan. The indicated is here to secure the high quality of logistics practices in hazardous events.

Keywords: humanitarian logistics, sustainability, supply chain risk, risk management plan

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3521 Digitalisation of Onboarding: A Case Study to Investigate the Impact of Virtual Reality Technology on Employees Social Interactions and Information Seeking During Job-Onboarding

Authors: Ewenam Gbormittah

Abstract:

Because of the effects of the pandemic, companies are focusing on the future of work arrangements for their employees. This includes adapting to a remote or hybrid working model. It is important that employers provide those working remotely or in a hybrid mode a rewarding onboarding experience and opportunities for interaction. Although, Information & Communication Technologies (ICT) have transformed the ways organisations manage employees over the years, there is still a need for a platform where organisations can adjust their onboarding to suit the social and interactive aspects of their employees, to facilitate successful integration. This study aimed to explore this matter by investigating whether Virtual Reality (VR) technology contributes to new employees integration into the organisation during their job-onboarding (JOB) process. The research questions are as follows: (1) To what extent does VR have an impact on employees successful integration into the organisation, and (2) How does VR help elements of new employees Psychological Contract (PC) during the course of interactions. An exploratory case study approach, which consisted of a semi-structured interview was conducted on 20 employees, split from two different case organisations. The results of the data were analysed according to each case, and then a cross-case comparison was provided. The results have generated 8 themes, presenting in excess of 7 sub-themes for CS1 and presented 7 themes, in excess of 7 sub-themes for CS2. The cross-case analysis has revealed that VR does have the potential to support employees integration into the organisation. However, the effects were shown to be stronger for employees in CS2, compared to employees in CS1. The results highlight practical implications for onboarding psychology and strategic talent solutions within recruitment. Such strategy this research particularly outlines, involves providing insights on how to manage the PC of employees from the recruitment stage to creating successful employment relationships.

Keywords: job-onboarding, psychological contract, virtual reality, case study one, case study two

Procedia PDF Downloads 36
3520 Effect of Thermal Treatment on Phenolic Content, Antioxidant, and Alpha-Amylase Inhibition Activities of Moringa stenopetala Leaves

Authors: Daniel Assefa, Engeda Dessalegn, Chetan Chauhan

Abstract:

Moringa stenopetala is a socioeconomic valued tree that is widely available and cultivated in the Southern part of Ethiopia. The leaves have been traditionally used as a food source with high nutritional and medicinal values. The present work was carried out to evaluate the effect of thermal treatment on the total phenolic content, antioxidant and alpha-amylase inhibition activities of aqueous leaf extracts during maceration and different decoction time interval (5, 10 and 15 min). The total phenolic content was determined by the Folin-ciocalteu methods whereas antioxidant activities were determined by 2,2-diphenyl-1-picryl-hydrazyl(DPPH) radical scavenging, reducing power and ferrous ion chelating assays and alpha-amylase inhibition activity was determined using 3,5-dinitrosalicylic acid method. Total phenolic content ranged from 34.35 to 39.47 mgGAE/g. Decoction for 10 min extract showed ferrous ion chelating (92.52), DPPH radical scavenging (91.52%), alpha-amylase inhibition (69.06%) and ferric reducing power (0.765), respectively. DPPH, reducing power and alpha-amylase inhibition activities showed positive linear correlation (R2=0.853, R2= 0.857 and R2=0.930), respectively with total phenolic content but ferrous ion chelating activity was found to be weakly correlated (R2=0.481). Based on the present investigation, it could be concluded that major loss of total phenolic content, antioxidant and alpha-amylase inhibition activities of the crude leaf extracts of Moringa stenopetala leaves were observed at decoction time for 15 min. Therefore, to maintain the total phenolic content, antioxidant, and alpha-amylase inhibition activities of leaves, cooking practice should be at the optimum decoction time (5-10 min).

Keywords: alpha-amylase inhibition, antioxidant, Moringa stenopetala, total phenolic content

Procedia PDF Downloads 330
3519 Space Weather and Earthquakes: A Case Study of Solar Flare X9.3 Class on September 6, 2017

Authors: Viktor Novikov, Yuri Ruzhin

Abstract:

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

Procedia PDF Downloads 121
3518 Endocrine Disruptors Effects on the 20-Hydroxyecdysone Concentration and the Vitellogenin Gene Expression in Gammarus sp.

Authors: Eric Gismondi, Aurelie Bigot-Clivot

Abstract:

Endocrine disruptors (EDCs) are well known to disrupt the development and the reproduction of exposed organisms. Although this point has been studied in vertebrate models, the limited knowledge of the endocrine system of invertebrates makes the evaluation of EDCs effects difficult. However, invertebrates represent the major part of aquatic ecosystems, such as amphipods Gammaridea, which are crucial for their functioning (e.g., litter degradation, food resource). Moreover, gammarids are hosts of parasites such as vertically-transmitted microsporidia (microsporidia VT), which could be confounding factors in assessment of EDC effects. Indeed, some microsporidia VT could have endocrine effects by their own present in the host since it was observed for example, a feminization of juvenile males, which become phenotypic females. This work evaluated the impact of ethinylestradiol (EE₂, estrogenic), cyproterone acetate (CPA, anti-androgenic), 4-hydroxytamoxifen (4HT, anti-estrogenic) and 17α-methyltestosterone (17MT - androgenic), on the 20-hydroxyecdysone concentration (i.e. 20HE - molt process) and the vitellogenin gene expression (i.e. reproduction) in the freshwater amphipod Gammarus pulex, after a 96h laboratory exposure. In addition, the presence of microsporidia VT was verified in order to analyze the effect of this confounding factor. Results of this study shown that, although endocrine systems of invertebrates and vertebrates are different, EDCs proved in vertebrates could also affect biological functions hormonally controlled in invertebrates. Indeed, the molt process of crustaceans was disrupted in the first stage (i.e. 20-HE concentration) and therefore, could affect, at the long term, the population dynamic. In addition, it was observed that G. pulex was differently impacted according to the gender and parasitism, which underline the importance to take into account these confounding factors to better evaluate the EDCs impact on invertebrate populations.

Keywords: endocrine disruption, gammarus sp., molt, parasitism

Procedia PDF Downloads 145
3517 Analysis of the Learning Effectiveness of the Steam-6e Course: A Case Study on the Development of Virtual Idol Product Design as an Example

Authors: Mei-Chun. Chang

Abstract:

STEAM (Science, Technology, Engineering, Art, and Mathematics) represents a cross-disciplinary and learner-centered teaching model that cultivates students to link theory with the presentation of real situations, thereby improving their various abilities. This study explores students' learning performance after using the 6E model in STEAM teaching for a professional course in the digital media design department of technical colleges, as well as the difficulties and countermeasures faced by STEAM curriculum design and its implementation. In this study, through industry experts’ work experience, activity exchanges, course teaching, and experience, learners can think about the design and development value of virtual idol products that meet the needs of users and to employ AR/VR technology to innovate their product applications. Applying action research, the investigation has 35 junior students from the department of digital media design of the school where the researcher teaches as the research subjects. The teaching research was conducted over two stages spanning ten weeks and 30 sessions. This research collected the data and conducted quantitative and qualitative data sorting analyses through ‘design draft sheet’, ‘student interview record’, ‘STEAM Product Semantic Scale’, and ‘Creative Product Semantic Scale (CPSS)’. Research conclusions are presented, and relevant suggestions are proposed as a reference for teachers or follow-up researchers. The contribution of this study is to teach college students to develop original virtual idols and product designs, improve learning effectiveness through STEAM teaching activities, and effectively cultivate innovative and practical cross-disciplinary design talents.

Keywords: STEAM, 6E model, virtual idol, learning effectiveness, practical courses

Procedia PDF Downloads 99
3516 Information Extraction for Short-Answer Question for the University of the Cordilleras

Authors: Thelma Palaoag, Melanie Basa, Jezreel Mark Panilo

Abstract:

Checking short-answer questions and essays, whether it may be paper or electronic in form, is a tiring and tedious task for teachers. Evaluating a student’s output require wide array of domains. Scoring the work is often a critical task. Several attempts in the past few years to create an automated writing assessment software but only have received negative results from teachers and students alike due to unreliability in scoring, does not provide feedback and others. The study aims to create an application that will be able to check short-answer questions which incorporate information extraction. Information extraction is a subfield of Natural Language Processing (NLP) where a chunk of text (technically known as unstructured text) is being broken down to gather necessary bits of data and/or keywords (structured text) to be further analyzed or rather be utilized by query tools. The proposed system shall be able to extract keywords or phrases from the individual’s answers to match it into a corpora of words (as defined by the instructor), which shall be the basis of evaluation of the individual’s answer. The proposed system shall also enable the teacher to provide feedback and re-evaluate the output of the student for some writing elements in which the computer cannot fully evaluate such as creativity and logic. Teachers can formulate, design, and check short answer questions efficiently by defining keywords or phrases as parameters by assigning weights for checking answers. With the proposed system, teacher’s time in checking and evaluating students output shall be lessened, thus, making the teacher more productive and easier.

Keywords: information extraction, short-answer question, natural language processing, application

Procedia PDF Downloads 408
3515 Tectonics of Out-of-Sequence Thrusting in Higher Himalaya- Example from Jhakri-Chaura-Sarahan Region, Himachal Pradesh

Authors: Rajkumar Ghosh

Abstract:

The Out-of-Sequence Thrust (OOST) is a common phenomenon in collisional tectonic settings like the Himalayas. These OOSTs are activated in different locations at different time frames. These OOST are linked with the multiple Himalayan Thrusts. Apart from minimal documentation in geological mapping for OOST, there exists a lack of field data to establish OOST in the field. This work has considered three thrusts from NW Himalaya in Himachal Pradesh with published data from other sources, allowing a re-examination for correlation of OOST. For the Sutlej section, the approach has been to do fieldwork and microstructural studies. The information related to the cross-cut signature of S/C- and relative time relation could help to predict the nature of OOST. The activation timing, along with the basis of identification of OOST in Higher Himalayan, was documented in various literature. Compilation of the Grain Boundary Migration (GBM) associated temperature range (400–750 °C) was documented from microstructural studies along the Jhakri-Chaura section. No such significant temperature variation across thrusts was observed. Strain variation paths using S Ʌ C angle measurement were carried out along the Jeori-Wangtu transect to distinguish overprinting structures for OOSTs. Near the Chaura Thrust (CT), angular variation of S Ʌ C was documented, and it varies within a range of 15° - 28 °. Along the NH22 (National Highway, 22), all tectonic units of the orogen are exposed in NW Himalaya, INDIA. But there are inherent difficulties in finding field evidence of OOST, largely due to the lack of adequate surface morphology, including topography and drainage pattern.

Keywords: out-of-sequence thrust (OOST), main central thrust (MCT), south tibetan detachment system (STDS), jhakri thrust (JT), sarahan thrust (ST), chaura thrust (CT), higher himalaya (HH), greater himalayan crystalline (GHC)

Procedia PDF Downloads 58
3514 Application of Water Soluble Polymers in Chemical Enhanced Oil Recovery

Authors: M. Shahzad Kamal, Abdullah S. Sultan, Usamah A. Al-Mubaiyedh, Ibnelwaleed A. Hussein

Abstract:

Oil recovery from reservoirs using conventional oil recovery techniques like water flooding is less than 20%. Enhanced oil recovery (EOR) techniques are applied to recover additional oil. Surfactant-polymer flooding is a promising EOR technique used to recover residual oil from reservoirs. Water soluble polymers are used to increase the viscosity of displacing fluids. Surfactants increase the capillary number by reducing the interfacial tension between oil and displacing fluid. Hydrolyzed polyacrylamide (HPAM) is widely used in polymer flooding applications due to its low cost and other desirable properties. HPAM works well in low-temperature and low salinity-environment. In the presence of salts HPAM viscosity decrease due to charge screening effect and it can precipitate at high temperatures in the presence of salts. Various strategies have been adopted to extend the application of water soluble polymers to high-temperature high-salinity (HTHS) reservoir. These include addition of monomers to acrylamide chain that can protect it against thermal hydrolysis. In this work, rheological properties of various water soluble polymers were investigated to find out suitable polymer and surfactant-polymer systems for HTHS reservoirs. Polymer concentration ranged from 0.1 to 1 % (w/v). Effect of temperature, salinity and polymer concentration was investigated using both steady shear and dynamic measurements. Acrylamido tertiary butyl sulfonate based copolymer showed better performance under HTHS conditions compared to HPAM. Moreover, thermoviscosifying polymer showed excellent rheological properties and increase in the viscosity was observed with increase temperature. This property is highly desirable for EOR application.

Keywords: rheology, polyacrylamide, salinity, enhanced oil recovery, polymer flooding

Procedia PDF Downloads 381
3513 Experimental Investigation of Physical Properties of Bambusa Oldhamii and Yushania Alpina on the Influence of Age and Harvesting Season

Authors: Tigist Girma Kedane

Abstract:

The purpose of the current research work is to measure the physical properties of bamboo species in Ethiopia on the impact of age, harvesting seasons and culm height. Three representatives of bamboo plants are harvested in three groups of ages, 2 harvesting months, and 3 regions of Ethiopia. Research has not been done on the physical properties of bamboo species in Ethiopia so far. Moisture content and shrinkage of bamboo culm increase when the culm ages younger and moves from top to bottom position. The harvesting month of November has a higher moisture content and shrinkage compared to February. One year old of Injibara, Kombolcha, and Mekaneselam bamboo culm has 40%, 30%, and 33% higher moisture content, 29%, 24%, and 28% higher radial shrinkage, 32%, 37%, and 32% higher tangential shrinkage compared to 3 years old respectively. The bottom position of Injibara, Kombolcha, and Mekaneselam in November have 45%, 28%, and 25% higher moisture content, 41%, 29%, and 34% radial shrinkage, 29%, 28%, and 42% tangential shrinkage than the top position, respectively. The basic density increases as the age of the bamboo becomes older and moves from the bottom to the top position. November has the lowest basic density compared to February. 3 years old of Injibara, Kombolcha, and Mekaneselam at the age of 3 years have 32%, 50%, and 24% higher basic density compared to 1 year, whereas the top position has 35%, 26%, and 22% higher than the bottom position in February, respectively. The current research proposed that 3 years and February are suited for structural purposes and furniture making, but 1 year and November are suited for fiber extraction in the composite industry. The existence of water in the culm improves an easy extraction of the fibers without damage from the culm.

Keywords: bamboo age, bamboo height, harvesting seasons, physical properties

Procedia PDF Downloads 26
3512 Puerto Rico and Pittsburg: A Social Psychology Perspective on How Perceived Infringement on Job and Cultural Identity Unite Racially Different Working-Class Groups

Authors: Reagan Rodriguez

Abstract:

With a growing divide between political echo chambers in the United States, exacerbated by race and income inequality, it might seem to be unfathomable to draw connections that tie working class in an industrial city and a U.S. territory. Yet, in regions where either the economy has been hit due to dwindling job infrastructure or natural disasters have left indelible marks on an island already once marked by colonial imperialism, a larger social shared identity is at play. Fracking has long been an intergenerational and stable work opportunity for many in the Pittsburg PA, yet the rising severity of global climate change may soon impact the policy and even presidential elections which could result in the reduction of jobs in the industry. Cock-fighting, considered a cultural mainstay within the island of Puerto Rico, has already had legislation banning activity and thus cutting out one of the most lucrative aspects of a severely injured economy. Insecurity, infringement, and isolation while being tied to a working-class bracket with no other opportunities in proximity have left both groups expressing similar frustration and while another larger shared identity politic is giving little other options to develop social mobility. This paper utilizes a thematic analysis and compares convergent and divergent themes on internet forums amongst unionized fracking workers in Pittsburg and cockfighters in Puerto Rico. This research examines how group identity in relation to job and cultural identity is most strong and at which points its most malleable; when intergenerational job identity becomes a part of one’s cultural identity, its override may be strongest when it is perceived as threatened. Final findings and limitations were comprehensively outlined.

Keywords: identity threat, social psychology, group identity, culture and social mobility

Procedia PDF Downloads 128
3511 Direct Electrical Communication of Redox Enzyme Based on 3-Dimensional Cross-Linked Redox Enzyme/Nanomaterials

Authors: A. K. M. Kafi, S. N. Nina, Mashitah M. Yusoff

Abstract:

In this work, we have described a new 3-dimensional (3D) network of cross-linked Horseradish Peroxidase/Carbon Nanotube (HRP/CNT) on a thiol-modified Au surface in order to build up the effective electrical wiring of the enzyme units with the electrode. This was achieved by the electropolymerization of aniline-functionalized carbon nanotubes (CNTs) and 4-aminothiophenol -modified-HRP on a 4-aminothiophenol monolayer-modified Au electrode. The synthesized 3D HRP/CNT networks were characterized with cyclic voltammetry and amperometry, resulting the establishment direct electron transfer between the redox active unit of HRP and the Au surface. Electrochemical measurements reveal that the immobilized HRP exhibits high biological activity and stability and a quasi-reversible redox peak of the redox center of HRP was observed at about −0.355 and −0.275 V vs. Ag/AgCl. The electron transfer rate constant, KS and electron transfer co-efficient were found to be 0.57 s-1 and 0.42, respectively. Based on the electrocatalytic process by direct electrochemistry of HRP, a biosensor for detecting H2O2 was developed. The developed biosensor exhibits excellent electrocatalytic activity for the reduction of H2O2. The proposed biosensor modified with HRP/CNT 3D network displays a broader linear range and a lower detection limit for H2O2 determination. The linear range is from 1.0×10−7 to 1.2×10−4M with a detection limit of 2.2.0×10−8M at 3σ. Moreover, this biosensor exhibits very high sensitivity, good reproducibility and long-time stability. In summary, ease of fabrication, a low cost, fast response and high sensitivity are the main advantages of the new biosensor proposed in this study. These obvious advantages would really help for the real analytical applicability of the proposed biosensor.

Keywords: redox enzyme, nanomaterials, biosensors, electrical communication

Procedia PDF Downloads 429
3510 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction

Authors: C. Rajalakshmi, Vibin Ipe Thomas

Abstract:

Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.

Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling

Procedia PDF Downloads 92