Search results for: turn around
679 Microclimate Impacts on Solar Panel Power Generation in Midlands Area, UK
Authors: Stamatis Zoras, Boris Ceranic, Ashley Redfern
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Green House Gas emissions from domestic properties currently account for a substantial part of the total UK’s carbon emissions and is a priority area for UK to reach zero carbon emissions. However, GHG emissions of urban complexes depend on building, road, structural developments etc surfaces that form urban microclimate. This in turn may further influence renewable energy system power generation that depend on solar or wind potential. Moreover, urban climatic conditions are also influenced by the installation of those power generation systems that may impact their own power generation efficiency. Increased air temperature is attributed to densely installed roof based solar panels that consequently impact their own production efficiency. Installation of roof based solar panels requires adequate guidance to enable housing businesses, councils and organisations to implement sufficient measures for improved power generation in relation to local urban microclimate. How microclimate is affected and how, in return, it affects solar power productivity. Derby Council & Derby Homes have been collecting solar panel power generation data for a large number of properties. The different building areas and system operation performance will be studied against microclimate conditions through time. It is envisaged that the outcomes of the study will support a working up strategy for Derby city to ensure that owned homes would be able to access information and data of solar photo voltaic PV and solar thermal panels potential on social housing, helping residents on low incomes create their own green energy to power their homes and heat their homeshot water.Keywords: microclimate, solar power, urban climatology, urban morphology
Procedia PDF Downloads 69678 Rural Development as a Strategy to Deter Migration in India - Re-Examining the Ideology of Cluster Development
Authors: Nandini Mohan, Thiruvengadam R. B.
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Mahatma Gandhi advocated that the true indicator of modern India lay in the development of its villages. This has been proven with the recent outbreak of the Coronavirus pandemic and the surfacing predicament of our urban centers. Developed on the Industrialization model, the current state of the metropolis is of rampant overcrowding, high rates of unemployment, inadequate infrastructure, and resources to cater to the growing population. A majority of each city’s strength composes of the migrant population, demonstrated through the migrant crisis, a direct repercussion of COVID-19. This paper explores the ideology of how rural development can act as a tactic to counter the high rates of rural-urban migration. It establishes the need for a rural push, as India is predominantly an agrarian economy, with a vast disparity between the urban and rural centers due to its urban bias. It seeks to define development in holistic terms. It studies the models of ‘cluster’ as conceptualized by V.K.R.V. Rao, and detailed by Architect Charles Correa in his book, The New Landscape. The paper reexamines the theory of cluster development through existing models proposed by the government of India. Namely, PURA (Provision of Urban Amenities in Rural Areas), DRI (Deendayal Research Institute), and Rurban under Shyama Prasad Mukharjee Rurban Mission. It analyses the models, their strengths, weaknesses, and reasons for their failure and success to derive parameters for the ideation of an archetype model. A model of rural development that talks of the simultaneous development of existing adjacent villages, by the introduction of set unique functions, that may turn into self-sustaining clusters or agglomerations in the future, which could serve as the next step for Indian village development based on the cluster ideology.Keywords: counter migration, models of rural development, cluster development theory, India
Procedia PDF Downloads 89677 The Contribution of the Lomé Charter to Combating Trafficking in Arms at Sea: Nigerian and South African Legal Perspectives
Authors: Obinna Emmanuel Nkomadu
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Many illegal activities take place on the sea, including trafficking in arms, which constitutes one of the major threats to maritime security. Indeed, the dissemination of arms has hampered the peaceful settlement of many States in Africa, fuelled disputes into armed conflicts, and contributed to the prolongation of armed conflicts in many African States. The absence of international standards on the importation, exportation, and transfer of conventional arms is a contributory factor to conflict, displacement of people, crime, and terrorism on the continent of Africa, which in turn undermines peace, safety, security, stability, and sustainable development. South Africa and Nigeria have taken steps to address the illicit arms, but, despite those steps, arms trafficking at sea continues. To suppress the illicit arms and to combat a number of other threats to maritime security around the continent of Africa, the majority of AU members in 2016 adopted the African Charter on Maritime Security and Safety and Development in Africa (“the Lomé Charter”). However, the Lomé Charter is yet to come into force. This paper set out the pre-existing international legal instruments on arms to ascertain the domestic laws of South Africa and Nigeria relating to arms with the relevant provisions of the Charter in order to establish whether any legal steps are required to ensure that South Africa and Nigeria comply with its obligations under the Lomé Charter should it decide to ratify it. The legal steps include cooperating in establishing policies, as well as a regional and continental institution, and ensuring the implementation of such policies. The paper concludes ratifying the Lomé Charter is a step in the right direction in suppressing arms trafficking at sea, in addition to filling those gaps or limitations in their relevant legislation.Keywords: cooperation against arms trafficking at sea, Lomé Charter, maritime security, Nigerian and South Africa legislation on arms
Procedia PDF Downloads 91676 Sustainable Use of Agricultural Waste to Enhance Food Security and Conserve the Environment
Authors: M. M. Tawfik, Ezzat M. Abd El Lateef, B. B. Mekki, Amany A. Bahr, Magda H. Mohamed, Gehan S. Bakhoom
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The rapid increase in the world’s population coupled by decrease the arable land per capita has resulted into an increased demand for food which has in turn led to the production of large amounts of agricultural wastes, both at the farmer, municipality and city levels. Agricultural wastes can be a valuable resource for improving food security. Unfortunately, agricultural wastes are likely to cause pollution to the environment or even harm to human health. This calls for increased public awareness on the benefits and potential hazards of agricultural wastes, especially in developing countries. Agricultural wastes (residual stalks, straw, leaves, roots, husks, shells etcetera) and animal waste (manures) are widely available, renewable and virtually free, hence they can be an important resource. They can be converted into heat, steam, charcoal, methanol, ethanol, bio diesel as well as raw materials (animal feed, composting, energy and biogas construction etcetera). agricultural wastes are likely to cause pollution to the environment or even harm to human health, if it is not used in a sustainable manner. Organic wastes could be considered an important source of biofertilizer for enhancing food security in the small holder farming communities that would not afford use of expensive inorganic fertilizers. Moreover, these organic wastes contain high levels of nitrogen, phosphorus, potassium, and organic matter important for improving nutrient status of soils in urban agriculture. Organic compost leading to improved crop yields and its nutritional values as compared with inorganic fertilization. This paper briefly reviews how agricultural wastes can be used to enhance food security and conserve the environment.Keywords: agricultural waste, organic compost, environment, valuable resources
Procedia PDF Downloads 520675 Industrial Kaolinite Resource Deposits Study in Grahamstown Area, Eastern Cape, South Africa
Authors: Adeola Ibukunoluwa Samuel, Afsoon Kazerouni
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Industrial mineral kaolin has many favourable properties such as colour, shape, softness, non-abrasiveness, natural whiteness, as well as chemical stability. It occurs extensively in North of Bedford road Grahamstown, South Africa. The relationship between both the physical and chemical properties as lead to its application in the production of certain industrial products which are used by the public; this includes the prospect of production of paper, ceramics, rubber, paint, and plastics. Despite its interesting economic potentials, kaolinite clay mineral remains undermined, and this is threatening its sustainability in the mineral industry. This research study focuses on a detailed evaluation of the kaolinite mineral and possible ways to increase its lifespan in the industry. The methods employed for this study includes petrographic microscopy analysis, X-ray powder diffraction analysis (XRD), and proper field reconnaissance survey. Results emanating from this research include updated geological information on Grahamstown. Also, mineral transformation phases such as quartz, kaolinite, calcite and muscovite were identified in the clay samples. Petrographic analysis of the samples showed that the study area has been subjected to intense tectonic deformation and cement replacement. Also, different dissolution patterns were identified on the Grahamstown kaolinitic clay deposits. Hence incorporating analytical studies and data interpretations, possible ways such as the establishment of processing refinery near mining plants, which will, in turn, provide employment for the locals and land reclamation is suggested. In addition, possible future sustainable industrial applications of the clay minerals seem to be possible if additives, cellulosic wastes are used to alter the clay mineral.Keywords: kaolinite, industrial use, sustainability, Grahamstown, clay minerals
Procedia PDF Downloads 188674 Feeling, Thinking, Acting: The Role of Subjective Social Class and Social Class Identity on Emotions, Attitudes and Prosocial Behavior Towards Muslim Immigrants in Belgium
Authors: Theresa Zagers, Rita Guerra
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Most research investigating how receiving communities perceive, and experience migration has overlooked the potential role of subjective social class and social class identity in positive intergroup relations and social cohesion of migrants and host societies. The present study aimed to provide insights to understand this relationship and focused on three important features: prosocial behaviour, attitudes and emotions towards Muslim immigrants in Flanders, Belgium. Building on relative deprivation-gratification theory we examined the indirect relationships of subjective social class on prosocial behaviour/intentions, attitudes and emotions via relative deprivation (RD), as well as the moderator role of the importance of social class identity. 431 Belgian participants participated in an online survey study. Overall, our results supported the predicted indirect effect of subjective social class: the lower the subjective social class, the higher the perceptions of relative deprivation, which in turn is related to less prosocial behaviour intentions, and more negative attitudes and emotions towards immigrants. This indirect effect was, however, not moderated by the importance of social class identity. Interestingly, the direct effects of subjective social class showed a different pattern: when bypassing deprivation our results showed higher subjective social class was detrimental for intergroup relations (more negative attitudes and emotions), and that lower subjective social class was positively related to prosocial intentions for those identifying highly with their class identity. Overall, we gained valuable insights in the relationship of subjective social class and the three features of intergroup relations.Keywords: social class, relative deprivation-gratification, prosocial behavior, attitudes, emotions, Muslim immigrants
Procedia PDF Downloads 59673 Sentiment Analysis of Fake Health News Using Naive Bayes Classification Models
Authors: Danielle Shackley, Yetunde Folajimi
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As more people turn to the internet seeking health-related information, there is more risk of finding false, inaccurate, or dangerous information. Sentiment analysis is a natural language processing technique that assigns polarity scores to text, ranging from positive, neutral, and negative. In this research, we evaluate the weight of a sentiment analysis feature added to fake health news classification models. The dataset consists of existing reliably labeled health article headlines that were supplemented with health information collected about COVID-19 from social media sources. We started with data preprocessing and tested out various vectorization methods such as Count and TFIDF vectorization. We implemented 3 Naive Bayes classifier models, including Bernoulli, Multinomial, and Complement. To test the weight of the sentiment analysis feature on the dataset, we created benchmark Naive Bayes classification models without sentiment analysis, and those same models were reproduced, and the feature was added. We evaluated using the precision and accuracy scores. The Bernoulli initial model performed with 90% precision and 75.2% accuracy, while the model supplemented with sentiment labels performed with 90.4% precision and stayed constant at 75.2% accuracy. Our results show that the addition of sentiment analysis did not improve model precision by a wide margin; while there was no evidence of improvement in accuracy, we had a 1.9% improvement margin of the precision score with the Complement model. Future expansion of this work could include replicating the experiment process and substituting the Naive Bayes for a deep learning neural network model.Keywords: sentiment analysis, Naive Bayes model, natural language processing, topic analysis, fake health news classification model
Procedia PDF Downloads 97672 Socio-Cultural Representations through Lived Religions in Dalrymple’s Nine Lives
Authors: Suman
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In the continuous interaction between the past and the present that historiography is, each time when history gets re/written, a new representation emerges. This new representation is a reflection of the earlier archives and their interpretations, fragmented remembrances of the past, as well as the reactions to the present. Memory, or lack thereof, and stereotyping generally play a major role in this representation. William Dalrymple’s Nine Lives: In Search of the Sacred in Modern India (2009) is one such written account that sets out to narrate the representations of religion and culture of India and contemporary reactions to it. Dalrymple’s nine saints belong to different castes, sects, religions, and regions. By dealing with their religions and expressions of those religions, and through the lived mysticism of these nine individuals, the book engages with some important issues like class, caste and gender in the contexts provided by historical as well as present India. The paper studies the development of religion and accompanied feeling of religiosity in modern as well as historical contexts through a study of these elements in the book. Since, the language used in creation of texts and the literary texts thus produced create a new reality that questions the stereotypes of the past, and in turn often end up creating new stereotypes or stereotypical representations at times, the paper seeks to actively engage with the text in order to identify and study such stereotypes, along with their changing representations. Through a detailed examination of the book, the paper seeks to unravel whether some socio-cultural stereotypes existed earlier, and whether there is development of new stereotypes from Dalrymple’s point of view as an outsider writing on issues that are deeply rooted in the cultural milieu of the country. For this analysis, the paper takes help from the psycho-literary theories of stereotyping and representation.Keywords: stereotyping, representation, William Dalrymple, religion
Procedia PDF Downloads 310671 Nutritional Status of Rural Women in Bengaluru Rural District of Karnataka, India
Authors: A. M. Maruthesh, B. M. Anandakumar, O. Kumara, Akshatha Gombi, S. R. Rajini
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Women play a vital role in ensuring proper development and growth of children. They also contribute significantly towards income generation, food preparation and health. Nutritional status reflects the health of a person and is influenced by the quality of foods eaten and the ability of the body to utilize these foods to meet its needs it is affected by various socio-economic factors including income, family size, occupation and educational status of the people. The study was undertaken on nutritional status of rural women in Heggadehalli of Doddaballapurtaluk and Venkathalli of Devanahallitaluk in Bengaluru rural district with the sample size of 200 respondents. The prevalence of symptoms of malnutrition in a community is in turn a reflection of dietary consumption of its members. Mean anthropometric measurement of rural women were 153.8 cm of height, 46.8 kg of weight. In comparison with the mean BMI standards, it was observed that 20 percent of women were under nourished, 64 percent of women were normal and 16 percent women were obese. In comparison with the mean waist/hip ratio with standards, it was observed that 84 percent were in normal category and 16 percent were obese. Education, land holding, income and age had significant positive association with anthropometric measurements of rural women. The deficient level of haemoglobin existed in 53 percent of rural women, low in 20 percent and only 27 percent had acceptable level. The occurrence of morbidity symptoms was higher in rural women, its illness reported among women in the study were pain in hands and legs, backache, headache, pain in abdomen, fever, weakness, cold and cough and acidity. This may be due to considerable amount of workload on women who spend 8 to 9 hours at work and after returning continue their day’s work at home also.Keywords: anthrometry, body index, hemoglobin, nutrient deficiency, rural women, nutritional status
Procedia PDF Downloads 266670 Increased Reaction and Movement Times When Text Messaging during Simulated Driving
Authors: Adriana M. Duquette, Derek P. Bornath
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Reaction Time (RT) and Movement Time (MT) are important components of everyday life that have an effect on the way in which we move about our environment. These measures become even more crucial when an event can be caused (or avoided) in a fraction of a second, such as the RT and MT required while driving. The purpose of this study was to develop a more simple method of testing RT and MT during simulated driving with or without text messaging, in a university-aged population (n = 170). In the control condition, a randomly-delayed red light stimulus flashed on a computer interface after the participant began pressing the ‘gas’ pedal on a foot switch mat. Simple RT was defined as the time between the presentation of the light stimulus and the initiation of lifting the foot from the switch mat ‘gas’ pedal; while MT was defined as the time after the initiation of lifting the foot, to the initiation of depressing the switch mat ‘brake’ pedal. In the texting condition, upon pressing the ‘gas’ pedal, a ‘text message’ appeared on the computer interface in a dialog box that the participant typed on their cell phone while waiting for the light stimulus to turn red. In both conditions, the sequence was repeated 10 times, and an average RT (seconds) and average MT (seconds) were recorded. Condition significantly (p = .000) impacted overall RTs, as the texting condition (0.47 s) took longer than the no-texting (control) condition (0.34 s). Longer MTs were also recorded during the texting condition (0.28 s) than in the control condition (0.23 s), p = .001. Overall increases in Response Time (RT + MT) of 189 ms during the texting condition would equate to an additional 4.2 meters (to react to the stimulus and begin braking) if the participant had been driving an automobile at 80 km per hour. In conclusion, increasing task complexity due to the dual-task demand of text messaging during simulated driving caused significant increases in RT (41%), MT (23%) and Response Time (34%), thus further strengthening the mounting evidence against text messaging while driving.Keywords: simulated driving, text messaging, reaction time, movement time
Procedia PDF Downloads 523669 Understanding Inhibitory Mechanism of the Selective Inhibitors of Cdk5/p25 Complex by Molecular Modeling Studies
Authors: Amir Zeb, Shailima Rampogu, Minky Son, Ayoung Baek, Sang H. Yoon, Keun W. Lee
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Neurotoxic insults activate calpain, which in turn produces truncated p25 from p35. p25 forms hyperactivated Cdk5/p25 complex, and thereby induces severe neuropathological aberrations including hyperphosphorylated tau, neuroinflammation, apoptosis, and neuronal death. Inhibition of Cdk5/p25 complex alleviates aberrant phosphorylation of tau to mitigate AD pathology. PHA-793887 and Roscovitine have been investigated as selective inhibitors of Cdk5/p25 with IC50 values 5nM and 160nM, respectively, but their mechanistic studies remain unknown. Herein, computational simulations have explored the binding mode and interaction mechanism of PHA-793887 and Roscovitine with Cdk5/p25. Docking results suggested that PHA-793887 and Rsocovitine have occupied the ATP-binding site of Cdk5 and obtained highest docking (GOLD) score of 66.54 and 84.03, respectively. Furthermore, molecular dynamics (MD) simulation demonstrated that PHA-793887 and Roscovitine established stable RMSD of 1.09 Å and 1.48 Å with Cdk5/p25, respectively. Profiling of polar interactions suggested that each inhibitor formed hydrogen bonds (H-bond) with catalytic residues of Cdk5 and could remain stable throughout the molecular dynamics simulation. Additionally, binding free energy calculation by molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) suggested that PHA-793887 and Roscovitine had lowest binding free energies of -150.05 kJ/mol and -113.14 kJ/mol, respectively with Cdk5/p25. Free energy decomposition demonstrated that polar energy by H-bond between the Glu81 of Cdk5 and PHA-793887 is the essential factor to make PHA-793887 highly selective towards Cdk5/p25. Overall, this study provided substantial evidences to explore mechanistic interactions of the selective inhibitors of Cdk5/p25 and could be used as fundamental considerations in the development of structure-based selective inhibitors of Cdk5/p25.Keywords: Cdk5/p25 inhibition, molecular modeling of Cdk5/p25, PHA-793887 and roscovitine, selective inhibition of Cdk5/p25
Procedia PDF Downloads 139668 Chat-Based Online Counseling for Enhancing Wellness of Undergraduates with Emotional Crisis Tendency
Authors: Arunya Tuicomepee
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During the past two decades, there have been the increasing numbers of studies on online counseling, especially among adolescents who are familiar with the online world. This can be explained by the fact that via this channel enables easier access to the young, who may not be ready for face-to-face service, possibly due to uneasiness to reveal their personal problems with a stranger, the feeling that their problems are to be shamed, or the need to protect their images. Especially, the group of teenagers prone to suicide or despair, who tend to keep things to or isolate from the society to themselves, usually prefer types of services that require no face-to-face encounter and allow their anonymity, such as online services. This study aimed to examine effectiveness of chat-based online counseling for enhancing wellness of undergraduates with emotional crisis tendency. Experimental with pretest-posttest control group design was employed. Participants were 47 undergraduates (10 males and 37 females) with high emotional crisis tendency. They were randomly assigned to experimental group (24 students) and control group (23 students). Participants in the experimental group received a 60-minute, 4-sessions of individual chat-based online counseling led by counselor. Those in control group received no counseling session. Instruments were the Emotional Crisis Scale and Wellness Scales. Two-way mixed-design multivariate analysis of variance was used for data analysis. Finding revealed that the posttest scores on wellness of those in the experimental group were higher than the scores of those in the control group. The posttest scores on emotional crisis tendency of those in the experimental group were lower than the scores of those in the control group. Hence, this study suggests chat-based online counseling services can become a helping source that increasing more adolescents would recognize and turn to in the future and that will receive more attention.Keywords: chat-based online counseling, emotional crisis, undergraduate student, wellness
Procedia PDF Downloads 242667 Regional Identity Construction of Acehnese English Teachers in Professional Practice
Authors: Ugahara Bin Mahyuddin Yunus
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In English Language Teaching, it cannot be denied that the backgrounds of English teachers do affect the way they teach English to their students, which in turn will affect their students’ English learning itself. Thus, it is very important to understand who the English teachers are so that how they teach English to their students can be understood. One of their backgrounds that is essential to be highlighted is their culture. Certainly, they wittingly or not will bring the perspectives and values of their culture into their daily teaching practices. In other words, their cultural identities do shape how they teach their students. Cultural identities themselves actually consist of some elements, one of which is regional identity. Indeed, the culture of the region in which English teachers identify with has impact on their beliefs and actions during teaching. For this reason, this study aims to understand how the regional identity of English teachers influence the way they teach English to their students. This study is a qualitative study conducted in a multilingual and multicultural setting, namely Aceh, Indonesia. Here, four Acehnese English teachers were involved as the research participants. In addition, this study adopted poststructuralist perspective to identity as the theoretical framework. Three research instruments were used in this study, namely semi-structured interviews, classroom observation, and teacher journal. The data gained from these instruments were then analyzed by using thematic analysis. Obviously, the research about the regional identity of English teachers in English Language Teaching has been studied worldwide. However, little is still known about it in Indonesian context, let alone Indonesia itself is a super diverse country with 34 regions. As a result, this study presents a good opportunity to advance the knowledge of how the regional identity construction of English teachers in this setting is. The findings of the study revealed that their regional identity construction in teaching was highly influenced by their indigenous language and religious faith. Even, how they teach English in classroom, in fact, is related to these two things. The conclusion that can be drawn from this study is for these English teachers, in fact, their regional identity itself constitutes their use of local language and religious identity, which are considered by them as their core identity.Keywords: English language teaching, English teachers, identity construction, regional identity
Procedia PDF Downloads 244666 Invistigation of Surface Properties of Nanostructured Carbon Films
Authors: Narek Margaryan, Zhozef Panosyan
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Due to their unique properties, carbon nanofilms have become the object of general attention and intensive research. In this case it plays a very important role to study surface properties of these films. It is also important to study processes of forming of this films, which is accompanied by a process of self-organization at the nano and micro levels. For more detailed investigation, we examined diamond-like carbon (DLC) layers deposited by chemical vapor deposition (CVD) method on Ge substrate and hydro-generated grapheme layers obtained on surface of colloidal solution using grouping method. In this report surface transformation of these CVD nanolayers is studied by atomic force microscopy (AFM) upon deposition time. Also, it can be successfully used to study surface properties of self-assembled grapheme layers. In turn, it is possible to sketch out their boundary line, which enables one to draw an idea of peculiarities of formation of these layers. Images obtained by AFM are investigated as a mathematical set of numbers and fractal and roughness analysis were done. Fractal dimension, Regne’s fractal coefficient, histogram, Fast Fourier transformation, etc. were obtained. The dependence of fractal parameters on the deposition duration for CVD films and on temperature of solution tribolayers was revealed. As an important surface parameter for our carbon films, surface energy was calculated as function of Regne’s fractal coefficient. Surface potential was also measured with Kelvin probe method using semi-contacting AFM. The dependence of surface potential on the deposition duration for CVD films and on temperature of solution for hydro-generated graphene was found as well. Results obtained by fractal analysis method was related with purly esperimental results for number of samples.Keywords: nanostructured films, self-assembled grapheme, diamond-like carbon, surface potential, Kelvin probe method, fractal analysis
Procedia PDF Downloads 268665 Promoting Environmental Sustainability in the Workplace: The Be-Green Project
Authors: Elena Carbone, Chiara Meneghetti, Ivan Innocenti, Monica Musicanti, Paola Volpe, Francesca Pazzaglia
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Promoting environmental sustainability is becoming a priority for organizations. Little is known, however, on the extent to which green workplace behaviors are linked, alongside organizational determinants, and also to various employees’ individual characteristics. The BE-GREEN research project, in collaboration with Eni S.p.A., aimed at investigating the relationship between the adoption of green workplace behaviors and various employees’ job-related and broader individual characteristics as well as organizational determinants. A sample of 513 Eni employees was administered a survey assessing the adoption of green workplace behaviors and the management of events (e.g., near-miss, unsafe conditions, weak signals) that could anticipate the occurrence of incidents with a harmful environmental impact. The survey also assessed employees’ job-related (e.g., proneness toward behaving pro-environmentally at work) and general (e.g., soft skills, connectedness to nature and environmental awareness) characteristics and perceived organizational support (e.g., environmental culture, leadership). Results showed that the adoption of green workplace behaviors was associated with employees’ proneness toward behaving pro-environmentally at work, and these factors were, in turn, influenced by broader individual characteristics related to soft skills as well as a connectedness to nature and environmental awareness, along with perceived organizational support. The management of events potentially anticipating the occurrence of incidents with a harmful environmental impact was mainly associated with perceived organizational support. These findings highlight how, alongside organizational determinants, different employees’ individual characteristics influence their adoption of green workplace behaviors, with important implications for the development of interventions tailored to promote environmental sustainability in organizations.Keywords: green workplace behaviors, soft skills, connectedness to nature, environmental awareness.
Procedia PDF Downloads 63664 The Impact of Bim Technology on the Whole Process Cost Management of Civil Engineering Projects in Kenya
Authors: Nsimbe Allan
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The study examines the impact of Building Information Modeling (BIM) on the cost management of engineering projects, focusing specifically on the Mombasa Port Area Development Project. The objective of this research venture is to determine the mechanisms through which Building Information Modeling (BIM) facilitates stakeholder collaboration, reduces construction-related expenses, and enhances the precision of cost estimation. Furthermore, the study investigates barriers to execution, assesses the impact on the project's transparency, and suggests approaches to maximize resource utilization. The study, selected for its practical significance and intricate nature, conducted a Systematic Literature Review (SLR) using credible databases, including ScienceDirect and IEEE Xplore. To constitute the diverse sample, 69 individuals, including project managers, cost estimators, and BIM administrators, were selected via stratified random sampling. The data were obtained using a mixed-methods approach, which prioritized ethical considerations. SPSS and Microsoft Excel were applied to the analysis. The research emphasizes the crucial role that project managers, architects, and engineers play in the decision-making process (47% of respondents). Furthermore, a significant improvement in cost estimation accuracy was reported by 70% of the participants. It was found that the implementation of BIM resulted in enhanced project visibility, which in turn optimized resource allocation and facilitated the process of budgeting. In brief, the study highlights the positive impacts of Building Information Modeling (BIM) on collaborative decision-making and cost estimation, addresses challenges related to implementation, and provides solutions for the efficient assimilation and understanding of BIM principles.Keywords: cost management, resource utilization, stakeholder collaboration, project transparency
Procedia PDF Downloads 67663 Post-Pandemic Public Space, Case Study of Public Parks in Kerala
Authors: Nirupama Sam
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COVID-19, the greatest pandemic since the turn of the century, presents several issues for urban planners, the most significant of which is determining appropriate mitigation techniques for creating pandemic-friendly and resilient public spaces. The study is conducted in four stages. The first stage consisted of literature reviews to examine the evolution and transformation of public spaces during pandemics throughout history and the role of public spaces during pandemic outbreaks. The second stage is to determine the factors that influence the success of public spaces, which was accomplished by an analysis of current literature and case studies. The influencing factors are categorized under comfort and images, uses and activity, access and linkages, and sociability. The third stage is to establish the priority of identified factors for which a questionnaire survey of stakeholders is conducted and analyzing of certain factors with the help of GIS tools. COVID-19 has been in effect in India for the last two years. Kerala has the highest daily COVID-19 prevalence due to its high population density, making it more susceptible to viral outbreaks. Despite all preventive measures taken against COVID-19, Kerala remains the worst-affected state in the country. Finally, two live case studies of the hardest-hit localities, namely Subhash bose park and Napier Museum park in the Ernakulam and Trivandrum districts of Kerala, respectively, were chosen as study areas for the survey. The responses to the questionnaire were analyzed using SPSS for determining the weights of the influencing factors. The spatial success of the selected case studies was examined using the GIS interpolation model. Following the overall assessment, the fourth stage is to develop strategies and guidelines for planning public spaces to make them more efficient and robust, which further leads to improved quality, safety and resilience to future pandemics.Keywords: urban design, public space, covid-19, post-pandemic, public spaces
Procedia PDF Downloads 137662 The Role of Transport Investment and Enhanced Railway Accessibility in Regional Efficiency Improvement in Saudi Arabia: Data Envelopment Analysis
Authors: Saleh Alotaibi, Mohammed Quddus, Craig Morton, Jobair Bin Alam
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This paper explores the role of large-scale investment in transport sectors and the impact of increased railway accessibility on the efficiency of the regional economic productivity in the Kingdom of Saudi Arabia (KSA). There are considerable differences among the KSA regions in terms of their levels of investment and productivity due to their geographical scale and location, which in turn greatly affect their relative efficiency. The study used a non-parametric linear programming technique - Data Envelopment Analysis (DEA) - to measure the regional efficiency change over time and determine the drivers of inefficiency and their scope of improvement. In addition, Window DEA analysis is carried out to compare the efficiency performance change for various time periods. Malmquist index (MI) is also analyzed to identify the sources of productivity change between two subsequent years. The analysis involves spatial and temporal panel data collected from 1999 to 2018 for the 13 regions of the country. Outcomes reveal that transport investment and improved railway accessibility, in general, have significantly contributed to regional economic development. Moreover, the endowment of the new railway stations has spill-over effects. The DEA Window analysis confirmed the dynamic improvement in the average regional efficiency over the study periods. MI showed that the technical efficiency change was the main source of regional productivity improvement. However, there is evidence of investment allocation discrepancy among regions which could limit the achievement of development goals in the long term. These relevant findings will assist the Saudi government in developing better strategic decisions for future transport investments and their allocation at the regional level.Keywords: data envelopment analysis, transport investment, railway accessibility, efficiency
Procedia PDF Downloads 149661 Studies on the Characterization and Machinability of Duplex Stainless Steel 2205 during Dry Turning
Authors: Gaurav D. Sonawane, Vikas G. Sargade
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The present investigation is a study of the effect of advanced Physical Vapor Deposition (PVD) coatings on cutting temperature residual stresses and surface roughness during Duplex Stainless Steel (DSS) 2205 turning. Austenite stabilizers like nickel, manganese, and molybdenum reduced the cost of DSS. Surface Integrity (SI) plays an important role in determining corrosion resistance and fatigue life. Resistance to various types of corrosion makes DSS suitable for applications with critical environments like Heat exchangers, Desalination plants, Seawater pipes and Marine components. However, lower thermal conductivity, poor chip control and non-uniform tool wear make DSS very difficult to machine. Cemented carbide tools (M grade) were used to turn DSS in a dry environment. AlTiN and AlTiCrN coatings were deposited using advanced PVD High Pulse Impulse Magnetron Sputtering (HiPIMS) technique. Experiments were conducted with cutting speed of 100 m/min, 140 m/min and 180 m/min. A constant feed and depth of cut of 0.18 mm/rev and 0.8 mm were used, respectively. AlTiCrN coated tools followed by AlTiN coated tools outperformed uncoated tools due to properties like lower thermal conductivity, higher adhesion strength and hardness. Residual stresses were found to be compressive for all the tools used for dry turning, increasing the fatigue life of the machined component. Higher cutting temperatures were observed for coated tools due to its lower thermal conductivity, which results in very less tool wear than uncoated tools. Surface roughness with uncoated tools was found to be three times higher than coated tools due to lower coefficient of friction of coating used.Keywords: cutting temperature, DSS2205, dry turning, HiPIMS, surface integrity
Procedia PDF Downloads 134660 Analysis of Thermal Effect on Functionally Graded Micro-Beam via Mixed Finite Element Method
Authors: Cagri Mollamahmutoglu, Ali Mercan, Aykut Levent
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Studies concerning the microstructures are becoming more important as the utilization of various micro-electro mechanical systems (MEMS) are increasing. Thus in recent years, thermal buckling and vibration analysis of microstructures have been subject to many investigations that are utilizing different numerical methods. In this study, thermal effects on mechanical response of a functionally graded (FG) Timoshenko micro-beam are presented in the framework of a mixed finite element formulation. Size effects are taken into consideration via modified couple stress theory. The mixed formulation is based on a function which in turn is derived via Gateaux Differential scientifically. After the resolution of all field equations of the beam, a potential operator is carefully constructed. Then this operator is used for the manufacturing of the functional. Usual procedures of finite element approximation are utilized for the derivation of the mixed finite element equations once the potential is obtained. Resulting finite element formulation allows usage of C₀ type simple linear shape functions and avoids shear-locking phenomena, which is a common shortcoming of the displacement-based formulations of moderately thick beams. The developed numerical scheme is used to obtain the effects of thermal loads on the static bending, free vibration and buckling of FG Timoshenko micro-beams for different power-law parameters, aspect ratios and boundary conditions. The versatility of the mixed formulation is presented over other numerical methods such as generalized differential quadrature method (GDQM). Another attractive property of the formulation is that it allows direct calculation of the contribution of micro effects on the overall mechanical response.Keywords: micro-beam, functionally graded materials, thermal effect, mixed finite element method
Procedia PDF Downloads 139659 Life Cycle Analysis of the Antibacterial Gel Product Using Iso 14040 and Recipe 2016 Method
Authors: Pablo Andres Flores Siguenza, Noe Rodrigo Guaman Guachichullca
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Sustainable practices have received increasing attention from academics and companies in recent decades due to, among many factors, the market advantages they generate, global commitments, and policies aimed at reducing greenhouse gas emissions, addressing resource scarcity, and rethinking waste management. The search for ways to promote sustainability leads industries to abandon classical methods and resort to the use of innovative strategies, which in turn are based on quantitative analysis methods and tools such as life cycle analysis (LCA), which is the basis for sustainable production and consumption, since it is a method that analyzes objectively, methodically, systematically, and scientifically the environmental impact caused by a process/product during its entire life cycle. The objective of this study is to develop an LCA of the antibacterial gel product throughout its entire supply chain (SC) under the methodology of ISO 14044 with the help of Gabi software and the Recipe 2016 method. The selection of the case study product was made based on its relevance in the current context of the COVID-19 pandemic and its exponential increase in production. For the development of the LCA, data from a Mexican company are used, and 3 scenarios are defined to obtain the midpoint and endpoint environmental impacts both by phases and globally. As part of the results, the most outstanding environmental impact categories are climate change, fossil fuel depletion, and terrestrial ecotoxicity, and the stage that generates the most pollution in the entire SC is the extraction of raw materials. The study serves as a basis for the development of different sustainability strategies, demonstrates the usefulness of an LCA, and agrees with different authors on the role and importance of this methodology in sustainable development.Keywords: sustainability, sustainable development, life cycle analysis, environmental impact, antibacterial gel
Procedia PDF Downloads 55658 Adapting Tools for Text Monitoring and for Scenario Analysis Related to the Field of Social Disasters
Authors: Svetlana Cojocaru, Mircea Petic, Inga Titchiev
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Humanity faces more and more often with different social disasters, which in turn can generate new accidents and catastrophes. To mitigate their consequences, it is important to obtain early possible signals about the events which are or can occur and to prepare the corresponding scenarios that could be applied. Our research is focused on solving two problems in this domain: identifying signals related that an accident occurred or may occur and mitigation of some consequences of disasters. To solve the first problem, methods of selecting and processing texts from global network Internet are developed. Information in Romanian is of special interest for us. In order to obtain the mentioned tools, we should follow several steps, divided into preparatory stage and processing stage. Throughout the first stage, we manually collected over 724 news articles and classified them into 10 categories of social disasters. It constitutes more than 150 thousand words. Using this information, a controlled vocabulary of more than 300 keywords was elaborated, that will help in the process of classification and identification of the texts related to the field of social disasters. To solve the second problem, the formalism of Petri net has been used. We deal with the problem of inhabitants’ evacuation in useful time. The analysis methods such as reachability or coverability tree and invariants technique to determine dynamic properties of the modeled systems will be used. To perform a case study of properties of extended evacuation system by adding time, the analysis modules of PIPE such as Generalized Stochastic Petri Nets (GSPN) Analysis, Simulation, State Space Analysis, and Invariant Analysis have been used. These modules helped us to obtain the average number of persons situated in the rooms and the other quantitative properties and characteristics related to its dynamics.Keywords: lexicon of disasters, modelling, Petri nets, text annotation, social disasters
Procedia PDF Downloads 197657 Factors Affecting M-Government Deployment and Adoption
Authors: Saif Obaid Alkaabi, Nabil Ayad
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Governments constantly seek to offer faster, more secure, efficient and effective services for their citizens. Recent changes and developments to communication services and technologies, mainly due the Internet, have led to immense improvements in the way governments of advanced countries carry out their interior operations Therefore, advances in e-government services have been broadly adopted and used in various developed countries, as well as being adapted to developing countries. The implementation of advances depends on the utilization of the most innovative structures of data techniques, mainly in web dependent applications, to enhance the main functions of governments. These functions, in turn, have spread to mobile and wireless techniques, generating a new advanced direction called m-government. This paper discusses a selection of available m-government applications and several business modules and frameworks in various fields. Practically, the m-government models, techniques and methods have become the improved version of e-government. M-government offers the potential for applications which will work better, providing citizens with services utilizing mobile communication and data models incorporating several government entities. Developing countries can benefit greatly from this innovation due to the fact that a large percentage of their population is young and can adapt to new technology and to the fact that mobile computing devices are more affordable. The use of models of mobile transactions encourages effective participation through the use of mobile portals by businesses, various organizations, and individual citizens. Although the application of m-government has great potential, it does have major limitations. The limitations include: the implementation of wireless networks and relative communications, the encouragement of mobile diffusion, the administration of complicated tasks concerning the protection of security (including the ability to offer privacy for information), and the management of the legal issues concerning mobile applications and the utilization of services.Keywords: e-government, m-government, system dependability, system security, trust
Procedia PDF Downloads 381656 Methicillin Resistant Staphylococcus aureus Specific Bacteriophage Isolation from Sewage Treatment Plant and in vivo Analysis of Phage Efficiency in Swiss Albino Mice
Authors: Pratibha Goyal, Nupur Mathur, Anuradha Singh
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Antibiotic resistance is the worldwide threat to human health in this century. Excessive use of antibiotic after their discovery in 1940 makes certain bacteria to become resistant against antibiotics. Most common antibiotic-resistant bacteria include Staphylococcus aureus, Salmonella typhi, E.coli, Klebsiella pneumonia, and Streptococcus pneumonia. Among all Staphylococcus resistant strain called Methicillin-resistant Staphylococcus aureus (MRSA) is responsible for several lives threatening infection in human commonly found in the hospital environment. Our study aimed to isolate bacteriophage against MRSA from the hospital sewage treatment plant and to analyze its efficiency In Vivo in Swiss albino mice model. Sewage sample for the isolation of bacteriophages was collected from SDMH hospital sewage treatment plant in Jaipur. Bacteriophages isolated by the use of enrichment technique and after characterization, isolated phages used to determine phage treatment efficiency in mice. Mice model used to check the safety and suitability of phage application in human need which in turn directly support the use of natural bacteriophage rather than synthetic chemical to kill pathogens. Results show the plaque formation in-vitro and recovery of MRSA infected mice during the experiment. Favorable lytic efficiency determination of MRSA and Salmonella presents a natural way to treat lethal infections caused by Multidrug-resistant bacteria by using their natural host-pathogen relationship.Keywords: antibiotic resistance, bacteriophages, methicillin resistance Staphylococcus aureus, pathogens, phage therapy, Salmonella typhi
Procedia PDF Downloads 144655 Impact of Agroforestry Practices on Biodiversity Management and Livelihoods of Communities Adjacent Magamba Nature Reserve(MNR), Tanzania
Authors: P. J. Kagosi, M. Mndolwa, E. Japhate
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The study was conducted to communities adjacent MNR, Lushoto district, Tanzania. The MNR is one of the nine nature reserves in the Eastern Arc Mountains of Tanzania with an area of 8,700ha with high biological diversity. However, biodiversity in MNR have been threatened by increasing human activities for livelihood in 1970s. The AF systems in the study area was practised since 1980s however, no study was conducted on AF impacts. This paper presents the influence of AF on livelihood of communities adjacent MNR and biodiversity conservation. Qualitative and quantitative data were collected using socio-economic survey and botanical surveys. Data were analysed using Statistical Packages for Social Sciences and content analysis. The study found that in 1970s free livestock grazing caused considerable surface runoff, soil erosion and reduction of crop production. Since 1980s, the study area received various interventions based on the land conservations and improved livelihood through practising AF systems. It was further found that the AF farming improved crop productivity, reduced soil erosion, increased firewood (80.2%) and other forest products availability and AF encouraged community members practicing indoor livestock keeping.The dominant agroforestry tree found in the study area is grevillea reported by 74.1% of respondents planting an average of 40 trees. The study found that the AF reduced pressure to MNR as forest products and fodders were obtained from community's farms in turn, currently water flow from MNR has been increased. Thus AF products support livelihood needs and conserve biodiversity. The study recommends continuity education on new AF technology packages.Keywords: impact of agroforestry, biodiversity management, communities’ livelihoods, Magamba nature reserve
Procedia PDF Downloads 354654 Characterization of the GntR Family Transcriptional Regulator Rv0792c: A Potential Drug Target for Mycobacterium tuberculosis
Authors: Thanusha D. Abeywickrama, Inoka C. Perera, Genji Kurisu
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Tuberculosis, considered being as the ninth leading cause of death worldwide, cause from a single infectious agent M. tuberculosis and the drug resistance nature of this bacterium is a continuing threat to the world. Therefore TB preventing treatment is expanding, where this study designed to analyze the regulatory mechanism of GntR transcriptional regulator gene Rv0792c, which lie between several genes codes for some hypothetical proteins, a monooxygenase and an oxidoreductase. The gene encoding Rv0792c was cloned into pET28a and expressed protein was purified to near homogeneity by Nickel affinity chromatography. It was previously reported that the protein binds within the intergenic region (BS region) between Rv0792c gene and monooxygenase (Rv0793). This resulted in binding of three protein molecules with the BS region suggesting tight control of monooxygenase as well as its own gene. Since monooxygenase plays a key role in metabolism, this gene may have a global regulatory role. The natural ligand for this regulator is still under investigation. In relation to the Rv0792 protein structure, a Circular Dichroism (CD) spectrum was carried out to determine its secondary structure elements. Percentage-wise, 17.4% Helix, 21.8% Antiparallel, 5.1% Parallel, 12.3% turn and 43.5% other were revealed from CD spectrum data under room temperature. Differential Scanning Calorimetry (DSC) was conducted to assess the thermal stability of Rv0792, which the melting temperature of protein is 57.2 ± 0.6 °C. The graph of heat capacity (Cp) versus temperature for the best fit was obtained for non-two-state model, which concludes the folding of Rv0792 protein occurs through stable intermediates. Peak area (∆HCal ) and Peak shape (∆HVant ) was calculated from the graph and ∆HCal / ∆HVant was close to 0.5, suggesting dimeric nature of the protein.Keywords: CD spectrum, DSC analysis, GntR transcriptional regulator, protein structure
Procedia PDF Downloads 222653 The Role of the Federal Supreme Court in Preventing the Exercise of the Right to Self-Determination
Authors: Shaho Ghafur Ahmed
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The right to self-determination of peoples is a fundamental human right recognized by the principles of international law. It could be embodied in the internal level in the form of federalism. Most federal constitutions prevented the secession of constituent entities, while some remained silent, as the case of Iraq, and rare instances of them recognize it. But, after the failure of federalism, these entities seek to separate whenever the opportunity arises. In several cases, they have resort to peaceful methods in some others they resort to force. The constitutional Supreme Court, which guaranty the unity and integrity of the State, often prevent these attempts. After not a commitment of federalism in Iraq, which has been founded since 2004, the Kurdistan region, as the only federated entity, has conducted a unilateral referendum on 25 September 2017 for its independence. The Iraqi government refused it. The Iraqi Federal Supreme Court, through interpreting the constitutional provisions, decided that this referendum and it’s purposes, which was the independence of the region, was unconstitutional. Subsequently, the Iraqi government used forces and blockaded the region so as to force it to turn off this process. So, in this paper, the right to self-determination of the peoples in federated entities and its obstacles will be discussed through the comparative legal basis and analyzing the decisions of the Federal Constitutional Courts. We will compare the role that the Supreme Court of Canada played regarding the referendum that operated in Quebec in 1995, in which it refused only the unilaterally attempts for the independence of this province. While, in the case of the Kurdistan region, the Iraqi Federal Supreme Court has definitively refused this right. No measures were taken by this Court to protect the region from the Iraqi government reactions. This decision led to the questioning of the neutrality of this Court. So, from the point of view of the Kurdistan region, this Court became a political instrument to prevent it to be independent in the international community, in the absence of a clear constitutional provision, through an abstract and an incomplete interpretation of federal constitutional provisions.Keywords: right of self-determination, federal supreme court, supremacy of federal constitution
Procedia PDF Downloads 167652 The Revenue Management Implementation and Its Complexity in the Airline Industry: An Empirical Study on the Egyptian Airline Industry
Authors: Amr Sultan, Sara Elgazzar, Breksal Elmiligy
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The airline industry nowadays is becoming a more growing industry facing a severe competition. It is an influential issue in this context to utilize revenue management (RM) concept and practice in order to develop the pricing strategy. There is an unfathomable necessity for RM to assist the airlines and their associates to disparage the cost and recuperate their revenue, which in turn will boost the airline industry performance. The complexity of RM imposes enormous challenges on the airline industry. Several studies have been proposed on the RM adaptation in airlines industry while there is a limited availability of implementing RM and its complexity in the developing countries such as Egypt. This research represents a research schema about the implementation of the RM to the Egyptian airline industry. The research aims at investigating and demonstrating the complexities face implementing RM in the airline industry, up on which the research provides a comprehensive understanding of how to overcome these complexities while adapting RM in the Egyptian airline industry. An empirical study was conducted on the Egyptian airline sector based on a sample of four airlines (Egyptair, Britishair, KLM, and Lufthansa). The empirical study was conducted using a mix of qualitative and quantitative approaches. First, in-depth interviews were carried out to analyze the Egyptian airline sector status and the main challenges faced by the airlines. Then, a structured survey on the three different parties of airline industry; airlines, airfreight forwarders, and passengers were conducted in order to investigate the main complexity factors from different parties' points of view. Finally, a focus group was conducted to develop a best practice framework to overcome the complexities faced the RM adaptation in the Egyptian airline industry. The research provides an original contribution to knowledge by creating a framework to overcome the complexities and challenges in adapting RM in the airline industry generally and the Egyptian airline industry particularly. The framework can be used as a RM tool to increase the effectiveness and efficiency of the Egyptian airline industry performance.Keywords: revenue management, airline industry, revenue management complexity, Egyptian airline industry
Procedia PDF Downloads 404651 Study of Irritant and Anti-inflammatory Activity of Snuhi/Zaqqum (Euphorbia nerifolia) with Special Reference to Holy Quran and Ayurveda
Authors: Mohammed Khalil Ur Rahman, Pradnya Chigle, Bushra Farhen
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Indian mythology believes that Vedas are eternal treatises. Vedas are categorized into four divisions viz., Rigveda, Yajurveda, Samveda, Atharveda. All these spiritual classics not only deal with rituals and customs but also consist of inclusion of many references related to health. Out of these four, Atharveda deals with maximum principles pertaining to health sciences. Therefore, it is said that the science and the art of Ayurveda has developed from Atharveda. Ayurveda deals with many medicinal plants either as a single therapeutic use or in combination. One such medicinal plant is Snuhi (Euphorbia neriifolia Linn.) which finds its extensive importance along with Haridra and Apamargakshar, in the preparation of Ksharsutra which in turn is used for the treatment of Fistula in Ano. It is interesting to note that this plant Snuhi is also referred in Holy Quran as the Tree of Zaqqum advocated as the food for the sinners as a part of torment. The reference in Surat Ad-Dukhan is as follows: - 44:43-46. “Verily, the tree of Zaqqum will be the food of the sinners, Like boiling oil, it will boil in the bellies, like the boiling of scalding water.” The above verse implies that plant Snuhi/Zaqqum due to irritant property acts as a drastic purgative but at the same time it also possesses anti inflammatory properties in order to relieve the irritation. These properties of Zaqqum has been unfolded in the modern research which states that, Diterpene polycyclic esters are responsible for its toxic and irritant nature whereas; triterpenes are responsible for its anti inflammatory property. Present work will be an effort to review the concept of Quran about latex of the Tree of Zaqqum in terms of its phytochemistry and its therapeutic use in Ksharsutra pertaining to irritant and anti inflammatory property.Keywords: ayurveda, Quran, zaqqum, ksharsutra, latex piles, inflammation
Procedia PDF Downloads 353650 Free Energy Computation of A G-Quadruplex-Ligand Structure: A Classical Molecular Dynamics and Metadynamics Simulation Study
Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria
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The DNA G-quadruplex is a four-stranded DNA structure formed by stacked planes of four base paired guanines (G-quartet). Guanine rich DNA sequences appear in many sites of genomic DNA and can potential form G-quadruplexes, such as those occurring at 3'-terminus of the human telomeric DNA. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to down regulate oncogene expression making G-quadruplex an attractive target for anticancer therapy. Many G-quadruplex ligands have been proposed with a planar core to facilitate the pi–pi stacking and electrostatic interactions with the G-quartets. However, many drug candidates are impossibilitated to discriminate a G-quadruplex from a double helix DNA structure. In this context, it is important to investigate the site topology for the interaction of a G-quadruplex with a ligand. In this work, we determine the free energy surface of a G-quadruplex-ligand to study the binding modes of the G-quadruplex (TG4T) with the daunomycin (DM) drug. The complex TG4T-DM is studied using classical molecular dynamics in combination with metadynamics simulations. The metadynamics simulations permit an enhanced sampling of the conformational space with a modest computational cost and obtain free energy surfaces in terms of the collective variables (CV). The free energy surfaces of TG4T-DM exhibit other local minima, indicating the presence of additional binding modes of daunomycin that are not observed in short MD simulations without the metadynamics approach. The results are compared with similar calculations on a different structure (the mutated mu-G4T-DM where the 5' thymines on TG4T-DM have been deleted). The results should be of help to design new G-quadruplex drugs, and understand the differences in the recognition topology sites of the duplex and quadruplex DNA structures in their interaction with ligands.Keywords: g-quadruplex, cancer, molecular dynamics, metadynamics
Procedia PDF Downloads 460