Search results for: team interactions
1344 Nursing Experience in Improving Physical and Mental Well-Being of a Patient with Premature Menopause Osteoporosis and Sarcopenia in Nursing-Led Multi-Discipline Care
Authors: Huang Chiung Chiu
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This article is about the nursing experience of assisting an outpatient with premature menopause, osteoporosis and sarcopenia through a multi-discipline care model. The nursing period is from September 22nd, 2020, to December 7th, 2020, collecting data through interviews with the patient, observation, and physical assessment. It was found that the main health problems were insufficient nutrition, less physical need, insomnia, and potentially dangerous falls. As an outpatient nurse, the author observed that in recent years, the age group of women with premature menopause, osteoporosis and sarcopenia had shifted downward. Integrated multi-disciplinary interventions were provided upon the initial diagnosis of osteoporosis and sarcopenia. Under the outpatient care setting, the collaborative team works between the doctors, nutritionists, osteoporosis educators, rehabilitates, physical therapists and other specialized teams were applied to provide individualized, integrated multi-disciplinary care. Through empathy and the establishment of attentive care, companionship and trust, we discussed care plans and treatment guidelines with the case, providing accurate, complete disease information and feedback education to strengthen the patient’s knowledge and motivation for exercise. Nursing guidance regarding the dietary nutrition and adjustment of daily routine was provided to increase the self-care ability, improve the health problems of muscle weakness and insomnia, and prevent falls. For patients with postmenopausal osteoporosis and sarcopenia, it is recommended that the nurses coordinate the multi-discipline integrated care model, adjust patients’ lifestyle and diet, and establish a regular exercise plan so that the cases can be evaluated holistically to improve the quality of care and physical and mental comfort.Keywords: multi-discipline care model, premature menopause, osteoporosis, sarcopenia, insomnia
Procedia PDF Downloads 1181343 Authentic Visual Resources for the Foreign Language Classroom
Authors: O. Yeret
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Visual resources are all around us, especially in today's media-driven world, which gravitates, more and more, towards the visual. As a result, authentic resources, such as television advertisements, become testaments – authentic cultural materials – that reflect the landscape of certain groups and communities during a specific point in time. Engaging language students with popular advertisements can provide a great opportunity for developing cultural awareness, a component that is sometimes overlooked in the foreign language classroom. This paper will showcase practical examples of using Israeli Television Ads in various Modern Hebrew language courses. Several approaches for combining the study of language and culture, through the use of advertisements, will be included; for example, targeted assignments based on students' proficiency levels, such as: asking to recognize vocabulary words and answer basic information questions, as opposed to commenting on the significance of an ad and analyzing its particular cultural elements. The use of visual resources in the language classroom does not only enable students to learn more about the culture of the target language, but also to combine their language skills. Most often, interacting with an ad requires close listening and some reading (through captions or other data). As students analyze the ad, they employ their writing and speaking skills by answering questions in text or audio form. Hence, these interactions are able to elicit complex language use across the four domains: listening, speaking, writing, and reading. This paper will include examples of practical assignments that were developed for several Modern Hebrew language courses, together with the specific advertisements and questions related to them. Conclusions from the process and recent feedback notes received from students regarding the use of visual resources will be mentioned as well.Keywords: authentic materials, cultural awareness, second language acquisition, visual resources
Procedia PDF Downloads 1081342 The Impact of Window Opening Occupant Behavior Models on Building Energy Performance
Authors: Habtamu Tkubet Ebuy
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Purpose Conventional dynamic energy simulation tools go beyond the static dimension of simplified methods by providing better and more accurate prediction of building performance. However, their ability to forecast actual performance is undermined by a low representation of human interactions. The purpose of this study is to examine the potential benefits of incorporating information on occupant diversity into occupant behavior models used to simulate building performance. The co-simulation of the stochastic behavior of the occupants substantially increases the accuracy of the simulation. Design/methodology/approach In this article, probabilistic models of the "opening and closing" behavior of the window of inhabitants have been developed in a separate multi-agent platform, SimOcc, and implemented in the building simulation, TRNSYS, in such a way that the behavior of the window with the interconnectivity can be reflected in the simulation analysis of the building. Findings The results of the study prove that the application of complex behaviors is important to research in predicting actual building performance. The results aid in the identification of the gap between reality and existing simulation methods. We hope this study and its results will serve as a guide for researchers interested in investigating occupant behavior in the future. Research limitations/implications Further case studies involving multi-user behavior for complex commercial buildings need to more understand the impact of the occupant behavior on building performance. Originality/value This study is considered as a good opportunity to achieve the national strategy by showing a suitable tool to help stakeholders in the design phase of new or retrofitted buildings to improve the performance of office buildings.Keywords: occupant behavior, co-simulation, energy consumption, thermal comfort
Procedia PDF Downloads 1041341 The Impact of Social Interaction, Wellbeing and Mental Health on Student Achievement During COVID-19 Lockdown in Saudi Arabia
Authors: Shatha Ahmad Alharthi
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Prior research suggests that reduced social interaction can negatively affect well-being and impair mental health (e.g., depression and anxiety), resulting in lower academic performance. The COVID-19 pandemic has significantly limited social interaction among Saudi Arabian school children since the government closed schools and implemented lockdown restrictions to reduce the spread of the disease. These restrictions have resulted in prolonged remote learning for middle school students with unknown consequences for perceived academic performance, mental health, and well-being. This research project explores how middle school Saudi students’ current remote learning practices affect their mental health (e.g., depression and anxiety) and well-being during the lockdown. Furthermore, the study will examine the association between social interaction, mental health, and well-being pertaining to students’ perceptions of their academic achievement. Research findings could lead to a better understanding of the role of lockdown on depression, anxiety, well-being and perceived academic performance. Research findings may also inform policy-makers or practitioners (e.g., teachers and school leaders) about the importance of facilitating increased social interactions in remote learning situations and help to identify important factors to consider when seeking to re-integrate students into a face-to-face classroom setting. Potential implications for future educational research include exploring remote learning interventions targeted at bolstering students’ mental health and academic achievement during periods of remote learning.Keywords: depression, anxiety, academic performance, social interaction
Procedia PDF Downloads 1171340 Implementing of Indoor Air Quality Index in Hong Kong
Authors: Kwok W. Mui, Ling T. Wong, Tsz W. Tsang
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Many Hong Kong people nowadays spend most of their lifetime working indoor. Since poor Indoor Air Quality (IAQ) potentially leads to discomfort, ill health, low productivity and even absenteeism in workplaces, a call for establishing statutory IAQ control to safeguard the well-being of residents is urgently required. Although policies, strategies, and guidelines for workplace IAQ diagnosis have been developed elsewhere and followed with remedial works, some of those workplaces or buildings have relatively late stage of the IAQ problems when the investigation or remedial work started. Screening for IAQ problems should be initiated as it will provide information as a minimum provision of IAQ baseline requisite to the resolution of the problems. It is not practical to sample all air pollutants that exit. Nevertheless, as a statutory control, reliable, rapid screening is essential in accordance with a compromise strategy, which balances costs against detection of key pollutants. This study investigates the feasibility of using an IAQ index as a parameter of IAQ control in Hong Kong. The index is a screening parameter to identify the unsatisfactory workplace IAQ and will highlight where a fully effective IAQ monitoring and assessment is needed for an intensive diagnosis. There already exist a number of representative common indoor pollutants based on some extensive IAQ assessments. The selection of pollutants is surrogate to IAQ control consists of dilution, mitigation, and emission control. The IAQ Index and assessment will look at high fractional quantities of these common measurement parameters. With the support of the existing comprehensive regional IAQ database and the IAQ Index by the research team as the pre-assessment probability, and the unsatisfactory IAQ prevalence as the post-assessment probability from this study, thresholds of maintaining the current measures and performing a further IAQ test or IAQ remedial measures will be proposed. With justified resources, the proposed IAQ Index and assessment protocol might be a useful tool for setting up a practical public IAQ surveillance programme and policy in Hong Kong.Keywords: assessment, index, indoor air quality, surveillance programme
Procedia PDF Downloads 2671339 Experimental Correlation for Erythrocyte Aggregation Rate in Population Balance Modeling
Authors: Erfan Niazi, Marianne Fenech
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Red Blood Cells (RBCs) or erythrocytes tend to form chain-like aggregates under low shear rate called rouleaux. This is a reversible process and rouleaux disaggregate in high shear rates. Therefore, RBCs aggregation occurs in the microcirculation where low shear rates are present but does not occur under normal physiological conditions in large arteries. Numerical modeling of RBCs interactions is fundamental in analytical models of a blood flow in microcirculation. Population Balance Modeling (PBM) is particularly useful for studying problems where particles agglomerate and break in a two phase flow systems to find flow characteristics. In this method, the elementary particles lose their individual identity due to continuous destructions and recreations by break-up and agglomeration. The aim of this study is to find RBCs aggregation in a dynamic situation. Simplified PBM was used previously to find the aggregation rate on a static observation of the RBCs aggregation in a drop of blood under the microscope. To find aggregation rate in a dynamic situation we propose an experimental set up testing RBCs sedimentation. In this test, RBCs interact and aggregate to form rouleaux. In this configuration, disaggregation can be neglected due to low shear stress. A high-speed camera is used to acquire video-microscopic pictures of the process. The sizes of the aggregates and velocity of sedimentation are extracted using an image processing techniques. Based on the data collection from 5 healthy human blood samples, the aggregation rate was estimated as 2.7x103(±0.3 x103) 1/s.Keywords: red blood cell, rouleaux, microfluidics, image processing, population balance modeling
Procedia PDF Downloads 3551338 Multidimensional Approach to Analyse the Environmental Impacts of Mobility
Authors: Andras Gyorfi, Andras Torma, Adrienn Buruzs
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Mobility has been evolved to a determining field of science. The continuously developing segment involves a variety of affected issues such as public and economic sectors. Beside the changes in mobility the state of environment had also changed in the last period. Alternative mobility as a separate category and the idea of its widespread appliance is such a new field that needs to be studied deeper. Alternative mobility implies finding new types of propulsion, using innovative kinds of power and energy resources, revolutionizing the approach to vehicular control. Including new resources and excluding others has such a complex effect which cannot be unequivocally confirmed by today’s scientific achievements. Changes in specific parameters will most likely reduce the environmental impacts, however, the production of new substances or even their subtraction of the system will cause probably energy deficit as well. The aim of this research is to elaborate the environmental impact matrix of alternative mobility and cognize the factors that are yet unknown, analyse them, look for alternative solutions and conclude all the above in a coherent system. In order to this, we analyse it with a method called ‘the system of systems (SoS) method’ to model the effects and the dynamics of the system. A part of the research process is to examine its impacts on the environment, and to decide whether the newly developed versions of alternative mobility are affecting the environmental state. As a final result, a complex approach will be used which can supplement the current scientific studies. By using the SoS approach, we create a framework of reference containing elements in which we examine the interactions as well. In such a way, a flexible and modular model can be established which supports the prioritizing of effects and the deeper analysis of the complex system.Keywords: environment, alternative mobility, complex model, element analysis, multidimensional map
Procedia PDF Downloads 3241337 Black-Legged Tick (Ixodes Scapularis) Impacts on Hematology and Ectoparasite Communities of Peromyscus Mice
Authors: Erica Fellin, Albrecht Schulte-Hostedde
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As the climate warms, the black-legged tick’s (Ixodes scapularis) range expands further north in Ontario, Canada, reaching new host populations that have not previously interacted with this blood-feeding parasite. Peromyscus mice in these northern areas are unfamiliar and inexperienced to the effects of these ticks compared to their southern counterparts that have adapted to living with these organisms. The purpose of this study was to see if there is a difference in physiology between these two groups – deer mice living in areas where tick populations have established and deer mice living in black-legged tick-free environments – looking specifically to see if there is significant variation in hemoglobin levels, which can negatively impact how these mice function in their environment. Along with this, a comparison of the parasite community structure on these mice hosts was analyzed to see if ticks change the composition of these micro-environments. Blood samples were collected from individual mice from populations where black-legged ticks were either present or absent to assess haemoglobin levels. At the same time, ectoparasites were collected from these same mice to determine parasite loads and species diversity. Haemoglobin levels were found to be lower when tick loads were high, and parasite diversity appeared to be higher when ticks were absent. Since black-legged ticks are carriers of many pathogens that can be passed on to humans, including Lyme’s disease, it is important to understand their movement and distribution across Ontario as well as their interactions with their hosts (and co-occurring parasites) in their environments.Keywords: community ecology, hematology, hosts, parasites
Procedia PDF Downloads 1411336 The Use of Hearing Protection Devices and Hearing Loss in Steel Industry Workers in Samut Prakan Province, Thailand
Authors: Petcharat Kerdonfag, Surasak Taneepanichskul, Winai Wadwongtham
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Background: Although there have not been effective treatments for Noise Induced Hearing Loss (NIHL), it can be definitely preventable with promoting the use of Hearing Protection devices (HPDs) among workers who have been exposed to excessive noise for a long period. Objectives: The objectives of this study were to explore the use of HPDs among steel industrial workers in the high noise level zone in Samut Prakan province, Thailand and to examine the relationships of the HPDs use and hearing loss. Materials and Methods: In this cross-sectional study, eligible ninety-three participants were recruited in the designated zone of higher noise (> 85dBA) of two factories, using simple random sampling. The use of HPDs was gathered by the self-record form, examined and confirmed by the researcher team. Hearing loss was assessed by the audiometric screening at the regional Samut Prakan hospital. If an average threshold level exceeds 25 dBA at high frequency (4 and 6 Hz) in each ear, participants would be lost of hearing. Data were collected from October to December, 2016. All participants were examined by the same examiners for the validity. An Audiometric testing was performed with the participants who have been exposed to high noise levels at least 14 hours from workplace. Results: Sixty participants (64.5%) had secondary level of education. The average mean score of percent time of using HPDs was 60.5% (SD = 25.34). Sixty-seven participants (72.0%) had abnormal hearing which they have still needed to increase lower percent time of using HPDs (Mean = 37.01, SD = 23.81) than those having normal hearing (Mean = 45.77, SD = 28.44). However, there was no difference in the mean average of percent time of using HPDs between these two groups.Conclusion: The findings of this study have confirmed that the steel industrial workers still need to be motivated to use HPDs regularly. Future research should pay more attentions for creating a meaningful innovation to steel industrial workers.Keywords: hearing protection devices, noise induced hearing loss, audiometric testing, steel industry
Procedia PDF Downloads 2561335 TNF Receptor-Associated Factor 6 (TRAF6) Mediating the Angiotensin-Induced Non-Canonical TGFβ Pathway Activation and Differentiation of c-kit+ Cardiac Stem Cells
Authors: Qing Cao, Fei Wang, Yu-Qiang Wang, Li-Ya Huang, Tian-Tian Sang, Shu-Yan Chen
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Aims: TNF Receptor-Associated Factor 6 (TRAF6) acts as a multifunctional regulator of the Transforming Growth Factor (TGF)-β signaling pathway, and mediates Smad-independent JNK and p38 activation via TGF-β. This study was performed to test the hypothesis that TGF-β/TRAF6 is essential for angiotensin-II (Ang II)-induced differentiation of rat c-kit+ Cardiac Stem Cells (CSCs). Methods and Results: c-kit+ CSCs were isolated from neonatal Sprague Dawley (SD) rats, and their c-kit status was confirmed with immunofluorescence staining. A TGF-β type I receptor inhibitor (SB431542) or the small interfering RNA (siRNA)-mediated knockdown of TRAF6 were used to investigate the role of TRAF6 in TGF-β signaling. Rescue of TRAF6 siRNA transfected cells with a 3'UTR deleted siRNA insensitive construct was conducted to rule out the off target effects of the siRNA. TRAF6 dominant negative (TRAF6DN) vector was constructed and used to infect c-kit+ CSCs, and western blotting was used to assess the expression of TRAF6, JNK, p38, cardiac-specific proteins, and Wnt signaling proteins. Physical interactions between TRAF6 and TGFβ receptors were studied by coimmunoprecipitation. Cardiac differentiation was suppressed in the absence of TRAF6. Forced expression of TRAF6 enhanced the expression of TGF-β-activated kinase1 (TAK1), and inhibited Wnt signaling. Furthermore, TRAF6 increased the expression of cardiac-specific proteins (cTnT and Cx-43) but inhibited the expression of Wnt3a. Conclusions: Our data suggest that TRAF6 plays an important role in Ang II induced differentiation of c-kit+ CSCs via the non-canonical signaling pathway.Keywords: cardiac stem cells, differentiation, TGF-β, TRAF6, ubiquitination, Wnt
Procedia PDF Downloads 4011334 Climate Risk Perception and Trust – Presence of a Social Trap for Willingness to Act in Favour of Climate Mitigation and Support for Renewables: A Cross-sectional Study of Four European Countries
Authors: Lana Singleton
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Achieving a sufficient global solution to climate change seems elusive through disappointing climate agreements and lack of cooperation. However, is this reluctance of coordination deep rooted on a more individual, societal level within countries due to a fundamental lack of social and institutional trust? The risks of climate change are illustrious and widely accepted, yet responses on an individual level are also largely inadequate. This research looks to further investigate types of trust, risk perception of climate change, and their interaction to build a greater understanding of whether a social trap (Rothstein, 2005) – where an absence of trust can overwhelm an individuals’ risk perception and result in minimal action despite knowing the dangers of no action – exists and where it is more prevalent. Presence of the social trap will be analysed for willingness to act in favour of climate change mitigation as well as attitude (acceptance) of different types of renewable energy forms. Using probit models with cross-sectional survey data on four developed European countries (UK, France, Germany, and Norway), we find evidence of the social trap in the aggregated data model, which highlights the importance of social trust regarding willingness to act in favour of climate mitigation as there is a high probability of action regardless of risk perception of climate change when social trust is high. In contrast, the same is not true for renewables, as interactions were mainly insignificant, although there were interesting findings involving institutional trust, gender, and country specific results for particular renewables.Keywords: climate risk, renewables, risk perception, social trap, trust, willingness to act
Procedia PDF Downloads 951333 Technology Futures in Global Militaries: A Forecasting Method Using Abstraction Hierarchies
Authors: Mark Andrew
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Geopolitical tensions are at a thirty-year high, and the pace of technological innovation is driving asymmetry in force capabilities between nation states and between non-state actors. Technology futures are a vital component of defence capability growth, and investments in technology futures need to be informed by accurate and reliable forecasts of the options for ‘systems of systems’ innovation, development, and deployment. This paper describes a method for forecasting technology futures developed through an analysis of four key systems’ development stages, namely: technology domain categorisation, scanning results examining novel systems’ signals and signs, potential system-of systems’ implications in warfare theatres, and political ramifications in terms of funding and development priorities. The method has been applied to several technology domains, including physical systems (e.g., nano weapons, loitering munitions, inflight charging, and hypersonic missiles), biological systems (e.g., molecular virus weaponry, genetic engineering, brain-computer interfaces, and trans-human augmentation), and information systems (e.g., sensor technologies supporting situation awareness, cyber-driven social attacks, and goal-specification challenges to proliferation and alliance testing). Although the current application of the method has been team-centred using paper-based rapid prototyping and iteration, the application of autonomous language models (such as GPT-3) is anticipated as a next-stage operating platform. The importance of forecasting accuracy and reliability is considered a vital element in guiding technology development to afford stronger contingencies as ideological changes are forecast to expand threats to ecology and earth systems, possibly eclipsing the traditional vulnerabilities of nation states. The early results from the method will be subjected to ground truthing using longitudinal investigation.Keywords: forecasting, technology futures, uncertainty, complexity
Procedia PDF Downloads 1141332 The Influence of Class and Gender on the Capitalist Patriarchal Society in Fitzgerald’s “The Great Gatsby”: A Marxist Feminist Perspective
Authors: Atousa Mirzapour Kouhdasht
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The Great Gatsby is a 1925 novel set in the Jazz Age on Long Island by American writer F. Scott Fitzgerald. The novel depicts interactions between the first-person narrator, Nick Carraway, and his mysterious millionaire neighbor, Jay Gatsby, and his obsession to reunite with his former lover, Daisy Buchanan. During World War II, the Council on Books in Wartime sent free copies to American soldiers, so the novel experienced an unanticipated wave in popularity. This newfound popularity brought up critical literary re-examination. The work soon became a part of most American high school curricula and, as a result, a part of American popular culture. Multiple adaptations, on stage and screen, followed in the succeeding decades. The novel's treatment of social class, old money versus those who do not have familial wealth, gender, race, and its cynical attitude towards the American Dream is now a matter of discussion. The old money does not allow the new money to present itself due to its fear of changes. Although Gatsby is now a wealthy man who throws many parties, he is not considered equal to Thomas Buchanan, Daisy's husband, a millionaire who lives in East Egg. Even Gatsby feels shame when it comes to the history of his family, who was not actually from the bourgeoisie. Furthermore, the patriarchal system restrains women's behavior in society and puts them in the second position after men to follow what men ask them to do. The female characters are not able to make decisions for themselves. So the researcher uses The Great Gatsby, patriarchal theory, and Marxist feminist perspective to investigate the influence of gender and social status on women's position in a patriarchal society.Keywords: Marxist, feminist, class status, gender, the American dream, The Great Gatsby, Fitzgerald
Procedia PDF Downloads 1211331 A Qualitative Study of Parents' Recommendations for Improving the Notification Process and Communication between Health Professionals and Families for New Diagnosis of Cystic Fibrosis
Authors: Mohammad S. Razai, Jan Williams, Rachel Nestel, Dermot Dalton
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Purpose: This descriptive qualitative study aimed to obtain parents recommendations for improving the notification process and communication of positive newborn screening result for cystic fibrosis (CF). Methods: Thematic analysis of semi-structured open-ended interviews with 11 parents of 7 children with confirmed diagnosis of CF between 2 months — 2 years of age. Results: Parents preferred face to face disclosure of positive NBS results by a pediatrician with CF professional qualification. They trusted a pediatrician more than any other professional in providing accurate, credible and comprehensive information about the diagnosis and its implications. Parents recommended that health professionals be knowledgeable and provide clear, succinct and understandable information. Providers should also explore parents concerns and acknowledge feelings and emotions. Most parents reported that they preferred to be notified immediately as soon as the results were available. Several parents preferred to be told once the diagnosis was certain. Most parents regarded open access to CF team as the most significant part of care coordination. In addition to health professionals, most parents used internet as an important source of information, interaction and exchange of experiences. Most parents also used social networking sites such as Facebook groups and smart phone apps. Conclusion: This study provides significant new evidence from parental perspective in emphasizing the pivotal role of good communication skills deployed by a knowledgeable CF specialist in person. Parents use of social media and internet has replaced some traditional methods of information exchange and may reduce the need for professional input for newly diagnosed CF patients.Keywords: care coordination, cystic fibrosis, newborn screening, notification process, parental preferences, professional-paren communication
Procedia PDF Downloads 3981330 Sustainable Technologies for Decommissioning of Nuclear Facilities
Authors: Ahmed Stifi, Sascha Gentes
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The German nuclear industry, while implementing the German policy, believes that the journey towards the green-field, namely phasing out of nuclear energy, should be achieved through green techniques. The most important techniques required for the wide range of decommissioning activities are decontamination techniques, cutting techniques, radioactivity measuring techniques, remote control techniques, techniques for worker and environmental protection and techniques for treating, preconditioning and conditioning nuclear waste. Many decontamination techniques are used for removing contamination from metal, concrete or other surfaces like the scales inside pipes. As the pipeline system is one of the important components of nuclear power plants, the process of decontamination in tubing is of more significance. The development of energy sectors like oil sector, gas sector and nuclear sector, since the middle of 20th century, increased the pipeline industry and the research in the decontamination of tubing in each sector is found to serve each other. The extraction of natural products and material through the pipeline can result in scale formation. These scales can be radioactively contaminated through an accumulation process especially in the petrochemical industry when oil and gas are extracted from the underground reservoir. The radioactivity measured in these scales can be significantly high and pose a great threat to people and the environment. At present, the decontamination process involves using high pressure water jets with or without abrasive material and this technology produces a high amount of secondary waste. In order to overcome it, the research team within Karlsruhe Institute of Technology developed a new sustainable method to carry out the decontamination of tubing without producing any secondary waste. This method is based on vibration technique which removes scales and also does not require any auxiliary materials. The outcome of the research project proves that the vibration technique used for decontamination of tubing is environmental friendly in other words a sustainable technique.Keywords: sustainable technologies, decontamination, pipeline, nuclear industry
Procedia PDF Downloads 3031329 A 7 Dimensional-Quantitative Structure-Activity Relationship Approach Combining Quantum Mechanics Based Grid and Solvation Models to Predict Hotspots and Kinetic Properties of Mutated Enzymes: An Enzyme Engineering Perspective
Authors: R. Pravin Kumar, L. Roopa
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Enzymes are molecular machines used in various industries such as pharmaceuticals, cosmetics, food and animal feed, paper and leather processing, biofuel, and etc. Nevertheless, this has been possible only by the breath-taking efforts of the chemists and biologists to evolve/engineer these mysterious biomolecules to work the needful. Main agenda of this enzyme engineering project is to derive screening and selection tools to obtain focused libraries of enzyme variants with desired qualities. The methodologies for this research include the well-established directed evolution, rational redesign and relatively less established yet much faster and accurate insilico methods. This concept was initiated as a Receptor Rependent-4Dimensional Quantitative Structure Activity Relationship (RD-4D-QSAR) to predict kinetic properties of enzymes and extended here to study transaminase by a 7D QSAR approach. Induced-fit scenarios were explored using Quantum Mechanics/Molecular Mechanics (QM/MM) simulations which were then placed in a grid that stores interactions energies derived from QM parameters (QMgrid). In this study, the mutated enzymes were immersed completely inside the QMgrid and this was combined with solvation models to predict descriptors. After statistical screening of descriptors, QSAR models showed > 90% specificity and > 85% sensitivity towards the experimental activity. Mapping descriptors on the enzyme structure revealed hotspots important to enhance the enantioselectivity of the enzyme.Keywords: QMgrid, QM/MM simulations, RD-4D-QSAR, transaminase
Procedia PDF Downloads 1371328 The Coverage of Women's Sport of Greek Sports Websites
Authors: Eleni Tsalkatidou
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Despite the fact that women's sport has flourished in recent years, its media coverage remains low, as it is observed that every day men’s sports stories dominate the most popular sports websites and the same doesn’t apply to women. Many studies in the past have demonstrated that the participation of women in sport is greatly underrepresented in the media and even when it does get covered, the focus is often on femininity and attractiveness, not athleticism. This means that female athletes are often portrayed in a sexist manner and, in general, they are more deserving of media coverage as celebrities rather than because of their sporting achievements. Scholars have argued that sport is a place where sexism is cultivated, as gender roles are constructed and disputed based on social context. Although images and information about women athletes are now more than ever, thanks to Social Media where they also act as 'producers', sport is still considered as «masculine». There are many reasons why this happens, the most important of which are: a. It is considered that females don’t have the physical and athletic qualifications such as men and b. Women's sport is less commercial than men’s, so the interest is lower. Moreover, scholars have pointed out that men journalists/reporters don’t cover the women’s sport: it is more common for a woman to write about a women's sport or a female athlete. This has its roots in the conception that sport is synonymous with masculinity - which is defined as the opposite of femininity – and so if men deal with women’s sport, this will probably menace their association with masculinity. Given the above, this paper seeks to examine the amount of women’s sport coverage of five Greek popular sports websites (metrosport.gr, gazzeta.gr, sport24.gr, sdna.gr, sport-fm.gr). The posted articles from these Greek websites from January to June 2020 were selected for my content analysis, which will be used to categorize the themes in order that the following research questions could be answered: 1) Are there any articles that cover women's sports or that refer to female athletes?, 2) And if so, are they articles/reports or is it a reproduction of the press release?, 3) What kind of sports do they refer to (individual-team sport)?, 4) Are the articles signed? And if so, are they written by men or women?, 5) What textual practices are used to cover women's sport/female athletes?, 6) Based on the findings, could we argue that we have entered a new age of media coverage of women’s sport in Greece with a shift towards greater gender equality or not?Keywords: Coverage, Greek websites, Sport, Women
Procedia PDF Downloads 1431327 Prevalence of Dietary Supplements among University Athlete Regime in Sri Lanka: A Cross-Sectional Study
Authors: S. A. N. Rashani, S. Pigera, P. N. J. Fernando, S. Jayawickema, M. A. Niriella, A. P. De Silva
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Dietary supplement (DS) consumption is drastically trending among the young athlete generation in developing countries. Many athletes try to fulfill their nutrition requirements using dietary supplements without knowing their effects on health and performance. This study aimed to assess the DS usage patterns of university athletes in Sri Lanka. A self-administered questionnaire was employed to collect data from state university students representing a university team, and a sample of 200 respondents was selected based on a stratified random sampling technique. Incomplete questionnaires were omitted from the analysis. The data were analyzed using IBM SPSS statistics for Windows version 25. The level of significance was set at p<0.05 in the data analysis. The prevalence of DS was 48.2% (n= 94), with no significant association between gender and DS intake. Protein (15.9%), vitamin (14.9%), sports drinks (12.8%), and creatine (8.2%) were the most consumed DS by students. Weightlifting (85.0%), football (62.5%), rugby (57.7%), and wrestling (40.9%) players showed higher DS usage among other sports. Coaches were reported as the most frequent person who was advised to use DS (43.0%). Students who won interuniversity games showed significantly low DS intake (p = 0.002) compared to others. Interestingly, DS use was significantly affected by the season of use (p = 0.000), pointing out that during competition and training seasons (62.4%) was the most frequent use. The pharmacy (27.0%) was the commonest place to buy DS. Students who used nutrient-dense meal plans during the training and competition period still showed a 61.0% tendency to consume DS. Most claimed reason to use DS was to increase energy and strength (29.0%). A majority reported that they used DS for less than one month (35.5%), while the second-highest duration was over three years (17.2%). Considering body mass index (BMI), healthy weight students showed 71.0% DS prevalence. DS prevalence was moderate among Sri Lankan university students, highlighting that the highest DS use was during competition and training seasons. Moreover, it emphasizes the need for nutrition and anti-doping counseling in the Sri Lankan university system.Keywords: athlete, dietary, supplements, university
Procedia PDF Downloads 2051326 Surface Modified Quantum Dots for Nanophotonics, Stereolithography and Hybrid Systems for Biomedical Studies
Authors: Redouane Krini, Lutz Nuhn, Hicham El Mard Cheol Woo Ha, Yoondeok Han, Kwang-Sup Lee, Dong-Yol Yang, Jinsoo Joo, Rudolf Zentel
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To use Quantum Dots (QDs) in the two photon initiated polymerization technique (TPIP) for 3D patternings, QDs were modified on the surface with photosensitive end groups which are able to undergo a photopolymerization. We were able to fabricate fluorescent 3D lattice structures using photopatternable QDs by TPIP for photonic devices such as photonic crystals and metamaterials. The QDs in different diameter have different emission colors and through mixing of RGB QDs white light fluorescent from the polymeric structures has been created. Metamaterials are capable for unique interaction with the electrical and magnetic components of the electromagnetic radiation and for manipulating light it is crucial to have a negative refractive index. In combination with QDs via TPIP technique polymeric structures can be designed with properties which cannot be found in nature. This makes these artificial materials gaining a huge importance for real-life applications in photonic and optoelectronic. Understanding of interactions between nanoparticles and biological systems is of a huge interest in the biomedical research field. We developed a synthetic strategy of polymer functionalized nanoparticles for biomedical studies to obtain hybrid systems of QDs and copolymers with a strong binding network in an inner shell and which can be modified in the end through their poly(ethylene glycol) functionalized outer shell. These hybrid systems can be used as models for investigation of cell penetration and drug delivery by using measurements combination between CryoTEM and fluorescence studies.Keywords: biomedical study models, lithography, photo induced polymerization, quantum dots
Procedia PDF Downloads 5261325 Synthesis and Characterization of Cellulose-Based Halloysite-Carbon Adsorbent
Authors: Laura Frydel, Piotr M. Slomkiewicz, Beata Szczepanik
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Triclosan has been used as a disinfectant in many medical products, such as: hand disinfectant soaps, creams, mouthwashes, pastes and household cleaners. Due to its strong antimicrobial activity, triclosan is becoming more and more popular and the consumption of disinfectants with triclosan in it is increasing. As a result, this compound increasingly finds its way into waters and soils in an unchanged form, pollutes the environment and may have a negative effect on organisms. The aim of this study was to investigate the synthesis of cellulose-based halloysite-carbon adsorbent and perform its characterization. The template in the halloysite-carbon adsorbent was halloysite nanotubes and the carbon precursor was microcrystalline cellulose. Scanning electron microscope (SEM) images were obtained and the elementary composition (qualitative and quantitative) of the sample was determined by energy dispersion spectroscopy (EDS). The identification of the crystallographic composition of the halloysite nanotubes and the sample of the halloysite-carbon composite was carried out using the X-ray powder diffraction (XRPD) method. The FTIR spectra were acquired before and after the adsorption process in order to determine the functional groups on the adsorbent surface and confirm the interactions between adsorbent and adsorbate molecules. The parameters of the porous structure of the adsorbent, such as the specific surface area (Brunauer-Emmett-Teller method), the total pore volume and the volume of mesopores and micropores were determined. Total carbon and total organic carbon were also determined in the samples. A cellulose-based halloysite-carbon adsorbent was used to remove triclosan from water. The degree of removal of triclosan from water was approximately 90%. The results indicate that the halloysite-carbon composite can be successfully used as an effective adsorbent for removing triclosan from water.Keywords: Adsorption, cellulose, halloysite, triclosan
Procedia PDF Downloads 1281324 Management of Urban Wastewater in the City of Maradi (Niger): The Case of Domestic Wastewater
Authors: Saidou Hassidou, Laminou Ary Mahaman Moustapha
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Uncontrolled urbanization of African cities, plus the lack of municipal waste management services in these cities, generate landscapes become places of multiple and varied interactions between health and environment. In this sense, under strong urban growth in a context of sub-equipment sanitation, the city of Maradi doesn’t escape to this situation which results in the spread of pollution (release of unpleasant odors, proliferation of mosquitoes) and many diseases posing multiple health problems. Our study focuses only on liquid waste especially domestic wastewater. To study the different domestic wastewater management options in the town of Maradi, a survey was conducted among 340 households in 17 districts. We note in most cases a crucial of waste management infrastructure (drainage and wastewater treatment) at the city. Thus, only the individual sanitation facilities are used. In the town of Maradi, in addition to the storm drains, there are, in old districts, ditches that discharge wastewater and unfortunately end up in rivers without treatment. Domestic wastewater total production is estimated at 86,761.28 m3 per day. This water is mostly from laundry activities, bathing, dishes, and is discharged in large part through the streets, by more than 60% of households. Also, pit emptying is performed at 39.11% by the vehicle Peugeot tank. The quality of service rendered by an actor is very important to encourage households to join. Existing autonomous sanitation facilities are poorly designed and poorly maintained. Fecal sludge is dumped in a hole near saturated latrines; this work is mainly done by manual scavengers or dumped in fields or on nearby vacant land concessions.Keywords: management, urban wastewater, domestic wastewater, Maradi, Niger
Procedia PDF Downloads 2691323 Effects of a 6-Month Caloric Restriction Induced-Weight Loss Program in Obese Postmenopausal Women with and without the Metabolic Syndrome: A MONET Study
Authors: Ahmed Ghachem, Denis Prud’homme, Rémi-Rabasa-Lhoret, M. Brochu
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Objective: To compare the effects of a CR on body composition, lipid profile and glucose homeostasis in obese postmenopausal women with and without MetS. Methods: Secondary analyses were performed on seventy-three inactive obese postmenopausal women (age: 57.7 ± 4.8 yrs; body mass index: 32.4 ± 4.6 kg/m2) who participated in the 6-month caloric restriction arm of a study of the Montreal-Ottawa New Emerging Team. The harmonized MetS definition was used to categorized participants with MetS [n = 20, 27.39%] and without MetS [n = 53, 72.61%]. Variables of interest were: body composition (DXA), body fat distribution (CT scan), glucose homeostasis at the fasting state and during a euglycemic/hyperinsulinemic clamp, fasting lipids and resting blood pressure. Results: By design, the MetS group had a worse cardiometabolic profile; while both groups were comparable for age. Fifty-five patients out of seventy-three displayed no change in MetS status after the intervention. Twelve participants out of twenty (or 60.0%) in the MetS group had no more MetS after weight loss (P= NS); while six participants out of fifty three (or 11.3%) in the other group developed the MetS after the intervention (P= NS). Overall, indices of body composition and body fat distribution improved significantly and similarly in both groups (P between 0.03 and 0.0001). Furthermore, with the exception of triglyceride levels and triglycerides/HDL-C ratio, which decrease significantly more in the MetS group (P ≤ 0.05), no difference was observed between groups for the other variables of the cardiometabolic profile. Conclusion: Despite no overall significant effects on MetS, heterogeneous results were obtained in response to weight loss in the present study; with some improving the MetS while other displaying deteriorations. Further studies are needed in order to identify factors and phenotypes associated with positive and negative cardiometabolic responses to CR intervention.Keywords: menopause, obesity, physical inactivity, metabolic syndrome, caloric restriction, weight loss
Procedia PDF Downloads 3401322 Insight into the Binding Theme of CA-074Me to Cathepsin B: Molecular Dynamics Simulations and Scaffold Hopping to Identify Potential Analogues as Anti-Neurodegenerative Diseases
Authors: Tivani Phosa Mashamba-Thompson, Mahmoud E. S. Soliman
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To date, the cause of neurodegeneration is not well understood and diseases that stem from neurodegeneration currently have no known cures. Cathepsin B (CB) enzyme is known to be involved in the production of peptide neurotransmitters and toxic peptides in neurodegenerative diseases (NDs). CA-074Me is a membrane-permeable irreversible selective cathepsin B (CB) inhibitor as confirmed by in vivo studies. Due to the lack of the crystal structure, the binding mode of CA-074Me with the human CB at molecular level has not been previously reported. The main aim of this study is to gain an insight into the binding mode of CB CA-074Me to human CB using various computational tools. Herein, molecular dynamics simulations, binding free energy calculations and per-residue energy decomposition analysis were employed to accomplish the aim of the study. Another objective was to identify novel CB inhibitors based on the structure of CA-074Me using fragment based drug design using scaffold hoping drug design approach. Results showed that two of the designed ligands (hit 1 and hit 2) were found to have better binding affinities than the prototype inhibitor, CA-074Me, by ~2-3 kcal/mol. Per-residue energy decomposition showed that amino acid residues Cys29, Gly196, His197 and Val174 contributed the most towards the binding. The Van der Waals binding forces were found to be the major component of the binding interactions. The findings of this study should assist medicinal chemist towards the design of potential irreversible CB inhibitors.Keywords: cathepsin B, scaffold hopping, docking, molecular dynamics, binding-free energy, neurodegerative diseases
Procedia PDF Downloads 3771321 Comparison of Effects over the Autonomic Nervous System When Using Force Training and Interval Training in Indoor Cycling with University Students
Authors: Daniel Botero, Oscar Rubiano, Pedro P. Barragan, Jaime Baron, Leonardo Rodriguez Perdomo, Jaime Rodriguez
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In the last decade interval training (IT) has gained importance when is compare with strength training (ST). However, there are few studies analyzing the impact of these training over the autonomic nervous system (ANS). This work has aimed to compare the activity of the autonomic nervous system, when is expose to an IT or ST indoor cycling mode. After approval by the ethics committee, a cross-over clinical trial with 22 healthy participants (age 21 ± 3 years) was implemented. The selection of participants for the groups with sequence force-interval (F-I) and interval-force (I-F) was made randomly with assignation of 11 participants for each group. The temporal series of heart rate was obtained before and after each training using the POLAR TEAM® heart monitor. The evaluation of the ANS was performed with spectral analysis of the heart rate variability (HRV) using the fast Fourier transform (Kubios software). A training of 8 weeks in each sequence (4 weeks with each training) with an intermediate period of two weeks of washout was implemented for each group. The power parameter of the HRV in the low frequency band (LF = 0.04-0.15Hz related to the sympathetic nervous system), high frequency (HF = 0.15-0.4Hz, related to the parasympathetic) and LF/HF (with reference to a modulation of parasympathetic over the sympathetic), were calculated. Afterward, the difference between the parameters before and after was realized. Then, to evaluate statistical differences between each training was implemented the method of Wellek (Wellek and Blettner, 2012, Medicine, 109 (15), 276-81). To determine the difference of effect over parasympathetic when FT and IT are used, the T test is implemented obtaining a T value of 0.73 with p-value ≤ 0.1. For the sympathetic was obtained a T of 0.33 with p ≤ 0.1 and for LF/HF the T was 1.44 with a p ≥ 0.1. Then, the carry over effect was evaluated and was not present. Significant changes over autonomic activity with strength or interval training were not observed. However, a modulation of the parasympathetic over the sympathetic can be observed. Probably, these findings should be explained because the sample is little and/or the time of training was insufficient to generate changes.Keywords: autonomic nervous, force training, indoor cycling, interval training
Procedia PDF Downloads 2251320 Study of the Non-isothermal Crystallization Kinetics of Polypropylene Homopolymer/Impact Copolymer Composites
Authors: Pixiang Wang, Shaoyang Liu, Yucheng Peng
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Polypropylene (PP) is an essential material of numerous applications in different industrial sectors, including packaging, construction, and automotive. Because the application of homopolypropylene (HPP) is limited by its relatively low impact strength and high embrittlement temperature, various types of impact copolymer PP (ICPP) that incorporate elastomers/rubbers into HPP to increase impact strength have been successfully commercialized. Crystallization kinetics of an isotactic HPP, an ICPP, and their composites were studied in this work understand the composites’ behaviors better. The Avrami-Jeziorny model was used to describe the crystallization process. For most samples, the Avrami exponent, n, was greater than 3, indicating the crystal grew in three dimensions with spherical geometry. However, the n value could drop below 3 when the ICPP content was 80 wt.% or higher and the cooling rate was 7.5°C/min or lower, implying that the crystals could grow in two dimensions and some lamella structures could be formed under those conditions. The nucleation activity increased with the increase of the ICPP content, demonstrating that the rubber phase in the ICPP acted as a nucleation agent and facilitated the nucleation process. The decrease in crystallization rate after the ICPP content exceeded 60 wt.% might be caused by the excessive amount of crystal nuclei induced by the high ICPP content, which caused strong crystal-crystal interactions and limited the crystal growth space. The nucleation activity and the n value showed high correlations to the mechanical and thermal properties of the materials. The quantitative study of the kinetics of crystallization in this work could be a helpful reference for manufacturing ICPP and HPP/ICPP mixtures.Keywords: polypropylene, crystallization kinetics, Avrami-Jeziorny model, crystallization activation energy, Nucleation activity
Procedia PDF Downloads 861319 Strategies to Enhance Compliance of Health and Safety Standards at the Selected Mining Industries in Limpopo Province, South Africa: Occupational Health Nurse’s Perspective
Authors: Livhuwani Muthelo
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The health and safety of the miners in the South African mining industry are guided by the regulations and standards which are anticipated to promote a healthy work environment and fatalities. It is of utmost importance for the miners to comply with these regulations/standards to protect themselves from potential occupational health and safety risks, accidents, and fatalities. The purpose of this study was to develop and validate strategies to enhance compliance with the Health and safety standards within the mining industries of Limpopo province in South Africa. A mixed-method exploratory sequential research design was adopted. The population consisted of 5350 miners. Purposive sampling was used to select the participants in the qualitative strand and stratified random sampling in the quantitative strand. Semi-structured interviews were conducted among the occupational health nurse practitioners and the health and safety team. Thematic analysis was used to generate an understanding of the interviews. In the quantitative strand, a survey was conducted using a self-administered questionnaire. Data were analysed using SPSS version 26.0. A descriptive statistical test was used in the analysis of data including frequencies, means, and standard deviation. Cronbach's alpha test was used to measure internal consistency. The integrated results revealed that there are diverse experiences related to health and safety standards compliance among the mineworkers. The main findings were challenges related to leadership compliance and also related to the cost of maintaining safety, Miner's behavior-related challenges; the impact of non-compliance on the overall health of the miners was also described, the conflict between production and safety. Health and safety compliance is not just mere compliance with regulations and standards but a culture that warrants the miners and organization to take responsibility for their behavior and actions towards health and safety. Thus taking responsibility for your well-being and other miners.Keywords: perceptions, compliance, health and safety, legislation, standards, miners
Procedia PDF Downloads 1041318 Constructing a Grounded Theory of Parents' Musical Engagement with Their Premature Baby Contributing to Their Emerging Parental Identity in a Neonatal Unit
Authors: Elizabeth McLean, Katrina Skewes-McFerran, Grace Thompson
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Scholarship highlights the need to further examine and better understand and foster the process of becoming a parent to a premature baby in the neonatal context to support the critical development of the parent-infant relationship. Music therapy research documents significant benefits of music therapy on neonatal physiological and neurodevelopmental function, reduced maternal anxiety and validating parents’ relationship with their premature baby, yet limited studies examine the role of music in supporting parental identity. This was a multi-site study, exploring parents’ musical engagement with their hospitalised baby and parental identity in a NU. In-depth interviews with nine parents of a premature baby across varying time points in their NU journey took place. Data collection and analysis was influenced by Constructive Grounded Theory methodology. Findings in the form of a substantive grounded theory illuminated the contribution of parents’ musical engagement on their sense of parental identity in the NU. Specifically, the significance of their baby’s level and type of response during musical interactions in influencing parents’ capacity to engage in musical dialogue with their baby emerged. Specific conditions that acted as both barriers and fosters in parents’ musical engagement across a high- risk pregnancy and NU admission also emerged. Recommendations for future research into the role of music and music therapy in supporting parental coping and transition to parenthood during a high-risk pregnancy and birth and beyond the NU will be discussed.Keywords: grounded theory, musical engagement, music therapy, parental identity
Procedia PDF Downloads 1811317 Culture of Primary Cortical Neurons on Hydrophobic Nanofibers Induces the Formation of Organoid-Like Structures
Authors: Nick Weir, Robert Stevens, Alan Hargreaves, Martin McGinnity, Chris Tinsley
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Hydrophobic materials have previously demonstrated the ability to elevate cell-cell interactions and promote the formation of neural networks whilst aligned nanofibers demonstrate the ability to induce extensive neurite outgrowth in an aligned manner. Hydrophobic materials typically elicit an immune response upon implantation and thus materials used for implantation are typically hydrophilic. Poly-L-lactic acid (PLLA) is a hydrophobic, non-immunogenic, FDA approved material that can be electrospun to form aligned nanofibers. Primary rat cortical neurons cultured for 10 days on aligned PLLA nanofibers formed 3D cell clusters, approximately 800 microns in diameter. Neurites that extended from these clusters were highly aligned due to the alignment of the nanofibers they were cultured upon and fasciculation was also evident. Plasma treatment of the PLLA nanofibers prior to seeding of cells significantly reduced the hydrophobicity and abolished the cluster formation and neurite fasciculation, whilst reducing the extent and directionality of neurite outgrowth; it is proposed that hydrophobicity induces the changes to cellular behaviors. Aligned PLLA nanofibers induced the formation of a structure that mimics the grey-white matter compartmentalization that is observed in vivo and thus represents a step forward in generating organoids or biomaterial-based implants. Upon implantation into the brain, the biomaterial architectures described here may provide a useful platform for both brain repair and brain remodeling initiatives.Keywords: hydrophobicity, nanofibers, neurite fasciculation, neurite outgrowth, PLLA
Procedia PDF Downloads 1601316 Molecular Simulation of NO, NH3 Adsorption in MFI and H-ZSM5
Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia, S. G. Hosseini, A. S. Razmgir
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Due to developing the industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is urgent environmentally. Selective Catalytic Reduction of NOx is one of the most common techniques for NOx removal in which Zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, molecular simulations is applied for studying the adsorption phenomena in nanocatalysts applied for SCR of NOx process. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC). Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the Energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 Zeolite compared to the isosteric heat of NH3 which was low in value.Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5
Procedia PDF Downloads 3781315 Preventing Neurodegenerative Diseases by Stabilization of Superoxide Dismutase by Natural Polyphenolic Compounds
Authors: Danish Idrees, Vijay Kumar, Samudrala Gourinath
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Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease caused by misfolding and aggregation of Cu, Zn superoxide dismutase (SOD1). The use of small molecules has been shown to stabilize the SOD1 dimer and preventing its dissociation and aggregation. In this study, we employed molecular docking, molecular dynamics simulation and surface plasmon resonance (SPR) to study the interactions between SOD1 and natural polyphenolic compounds. In order to explore the noncovalent interaction between SOD1 and natural polyphenolic compounds, molecular docking and molecular dynamic (MD) simulations were employed to gain insights into the binding modes and free energies of SOD1-polyphenolic compounds. MM/PBSA methods were used to calculate free energies from obtained MD trajectories. The compounds, Hesperidin, Ergosterol, and Rutin showed the excellent binding affinity in micromolar range with SOD1. Ergosterol and Hesperidin have the strongest binding affinity to SOD1 and was subjected to further characterization. Biophysical experiments using Circular Dichroism and Thioflavin T fluorescence spectroscopy results show that the binding of these two compounds can stabilize SOD1 dimer and inhibit the aggregation of SOD1. Molecular simulation results also suggest that these compounds reduce the dissociation of SOD1 dimers through direct interaction with the dimer interface. This study will be helpful to develop other drug-like molecules which may have the effect to reduce the aggregation of SOD1.Keywords: amyotrophic lateral sclerosis, molecular dynamics simulation, surface plasmon resonance, superoxide dismutase
Procedia PDF Downloads 139