Search results for: network pharmacology
2748 Phytochemical Investigation and Diuretic Activity of the Palestinian Crataegus aronia in Mice Using an Aqueous Extract
Authors: Belal Rahhal, Isra Taha, Insaf Najajreh, Waleed Basha, Hamzeh Alzabadeh, Ahed Zyoud
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Phytochemical Investigation and Diuretic Activity of the Palestinian Crataegus aronia in Mice using an Aqueous Extract Division of Physiology, Pharmacology and Toxicology Faculty of Medicine and Health Sciences An- Najah National University Nablus- Palestine Belal Rahhal, Isra Taha, Insaf Najajreh, Waleed Basha, Hamzeh Alzabadeh and Ahed Zyoud Purpose: Throughout history, various natural materials were used as remedies for treatment of various diseases, and recently a vastly growing and renewed interest in herbal medicine is witnessed globally. In Palestinian folk medicine, Crataegus aronia is used as a diuretic and for treatment of hypertension. This study aimed to assess the preliminary phytochemical properties and the diuretic effect of the aqueous extracts of this plant in mice after its intraperitonial administration. Methods: It is an experimental trial applied on mice (n=8, Male, CD-1, weight range: [25-30 gram]), which are divided into two groups (4 in each). The first group administered with the plant extract (500 mg/kg) , and the second with normal saline as negative control group. Then urine output and electrolyte contents were quantified up to 6 hours for the three groups and then compared to the control one. Results: Preliminary phytochemical screening reveals the presence of tannins, alkaloids and flavoniods as major phytoconstituents in aqueous extract. Significant diuresis was noted in those received the aqueous extract of Crataegus aronia (p < 0.05) compared to controls. Moreover, aqueous extract had an acidic pH and a mild increase in the electrolyte excretion (Na, K). Conclusions: Our results revealed that Crataegus aronia aqueous extract has a potential diuretic effect. Further studies are needed to evaluate this diuretic effect in the relief of diseases characterized by volume overload. Keywords: C. aronia, furosemide, diuresis, mice, medicinal plants.Keywords: medicinal plants, diuretic activity, mice, C. aronia, , furosemide, , Phytochemical Investigation
Procedia PDF Downloads 1992747 Service Flow in Multilayer Networks: A Method for Evaluating the Layout of Urban Medical Resources
Authors: Guanglin Song
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(Objective) Situated within the context of China's tiered medical treatment system, this study aims to analyze spatial causes of urban healthcare access difficulties from the perspective of the configuration of healthcare facilities. (Methods) A social network analysis approach is employed to construct a healthcare demand and supply flow network between major residential clusters and various tiers of hospitals in the city.(Conclusion) The findings reveal that:1.there exists overall maldistribution and over-concentration of healthcare resources in Study Area, characterized by structural imbalance; 2.the low rate of primary care utilization in Study Area is a key factor contributing to congestion at higher-tier hospitals, as excessive reliance on these institutions by neighboring communities exacerbates the problem; 3.gradual optimization of the healthcare facility layout in Study Area, encompassing holistic, local, and individual institutional levels, can enhance systemic efficiency and resource balance.(Prospects) This research proposes a method for evaluating urban healthcare resource distribution structures based on service flows within hierarchical networks. It offers spatially targeted optimization suggestions for promoting the implementation of the tiered healthcare system and alleviating challenges related to accessibility and congestion in seeking medical care. Provide some new ideas for researchers and healthcare managers in countries, cities, and healthcare management around the world with similar challenges.Keywords: flow of public services, urban networks, healthcare facilities, spatial planning, urban networks
Procedia PDF Downloads 722746 Sustainable Urban Mobility: Rethinking the Bus Stop Infrastructures of Dhaka South
Authors: Hasnun Wara Khondker, M. Tarek Morad
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Bangladesh is one of the most populous countries of the world in terms of density. Dhaka, the capital of Bangladesh currently has a population of approximately 15-16 million of which around 9 million people are accommodated in Dhaka South City Corporation (DSCC) within around 109 square kilometer area. Despite having various urban issues, country is at its pick of economic progress and Dhaka is the core of this economic growth. To ensure the proper economic development and citizens wellbeing, city needs an ingenious, congestion-free public transportation network. Bus stop/bus bay is an essential infrastructure for ensuring efficient public transportation flow within the city along with enhancing accessibility, user comfort, and safety through public amenities. At present, there is no established Mass Rapid Transit or Bus Rapid Transit network within the city and therefore these private owned buses are the only major mode of mass transportation of Dhaka city. DSCC has undertaken a project to re-design several bus stops and bus bays according to the universal standard for better urban mobility and user satisfaction. This paper will analyze the design approach of the bus stop/bay infrastructure within Dhaka South, putting the research lens on sustainable urban mobility with case studies of similar kind of urban context. The paper will also study the design process with setting several parameters, i.e., accessibility, passenger safety, comfort, sustainability, etc. Moreover, this research will recommend a guideline for designing a bus stop based on the analysis of the design methods.Keywords: bus stop, Dhaka, public transportation, sustainable urban mobility, universal accessibility, user safety
Procedia PDF Downloads 3822745 Evolutionary Analysis of Green Credit Regulation on Greenwashing Behavior in Dual-Layer Network
Authors: Bo-wen Zhu, Bin Wu, Feng Chen
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It has become a common measure among governments to support green development of enterprises through Green Credit policies. In China, the Central Bank of China and other authorities even put forward corresponding assessment requirements for proportion of green credit in commercial banks. Policy changes might raise concerns about commercial banks turning a blind eye to greenwashing behavior by enterprises. The lack of effective regulation may lead to a diffusion of such behavior, and eventually result in the phenomenon of “bad money driving out good money”, which could dampen the incentive effect of Green Credit policies. This paper employs a complex network model based on an evolutionary game analysis framework involving enterprises, banks, and regulatory authorities to investigate inhibitory effect of the Green Credit regulation on enterprises’ greenwashing behavior, banks’ opportunistic and collusive behaviors. The findings are as follows: (1) Banking opportunism rises with Green Credit evaluation criteria and requirements for the proportion of credit balance. Restrictive regulation against violating banks is necessary as there is an increasing trend of banks adopting opportunistic strategy. (2) Raising penalties and probability of regulatory inspections can effectively suppress banks’ opportunistic behavior, however, it cannot entirely eradicate the opportunistic behavior on the bank side. (3) Although maintaining a certain inspection probability can inhibit enterprises from adopting greenwashing behavior, enterprises choose a catering production strategy instead. (4) One-time rewards from local government have limited effects on the equilibrium state and diffusion trend of bank regulatory decision-making.Keywords: green credit, greenwashing behavior, regulation, diffusion effect
Procedia PDF Downloads 292744 A Hybrid Simulation Approach to Evaluate Cooling Energy Consumption for Public Housings of Subtropics
Authors: Kwok W. Mui, Ling T. Wong, Chi T. Cheung
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Cooling energy consumption in the residential sector, different from shopping mall, office or commercial buildings, is significantly subject to occupant decisions where in-depth investigations are found limited. It shows that energy consumptions could be associated with housing types. Surveys have been conducted in existing Hong Kong public housings to understand the housing characteristics, apartment electricity demands, occupant’s thermal expectations, and air–conditioning usage patterns for further cooling energy-saving assessments. The aim of this study is to develop a hybrid cooling energy prediction model, which integrated by EnergyPlus (EP) and artificial neural network (ANN) to estimate cooling energy consumption in public residential sector. Sensitivity tests are conducted to find out the energy impacts with changing building parameters regarding to external wall and window material selection, window size reduction, shading extension, building orientation and apartment size control respectively. Assessments are performed to investigate the relationships between cooling demands and occupant behavior on thermal environment criteria and air-conditioning operation patterns. The results are summarized into a cooling energy calculator for layman use to enhance the cooling energy saving awareness in their own living environment. The findings can be used as a directory framework for future cooling energy evaluation in residential buildings, especially focus on the occupant behavioral air–conditioning operation and criteria of energy-saving incentives.Keywords: artificial neural network, cooling energy, occupant behavior, residential buildings, thermal environment
Procedia PDF Downloads 1692743 The Future of Sharia Financing Analysis of Green Finance Financing Strategies in the Sharia State of Aceh
Authors: Damanhur Munardi, Muhammad Hafiz, Dina Nurmalita Sari, Syarifah Ridani Alifa
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Purpose: This research aims to analyze the Benefits, Opportunity, Cost, and Risk aspects of applying the Green Finance concept and to obtain the right Green Finance financing strategy to be implemented within a long-term and short-term strategic framework.Methodology: This research method uses a qualitative-descriptive analysis approach. The analysis technique uses Analytical Network Process (ANP) with a BOCR network structure approach.Findings: The research results show that the most priority long-term strategic alternative based on the long-term BOCR analysis is increasing awareness among the public and industry by 52% and the importance of coordination between related institutions by 50%. Meanwhile, the most priority short-term strategic alternatives are the importance of coordination between related institutions 29%, increasing awareness among the public and industry 28%, the banking industry proactively funding environmentally friendly companies and technology 23%, the existence of Green Finance POS (Standard Operating Procedures) 20%.Implications: This research can be used as a reference for regulators and policymakers in making strategic decisions that can increase green finance financing. The novelty of this research is identifying problems that occur in green finance financing in Aceh province by analyzing opinions from experts in related fields and financial regulators in Aceh to create a strategy that can be implemented to increase green finance financing in Aceh province through BPD in Aceh, namely Bank Aceh.Keywords: green financing, banking, sharia, islamic
Procedia PDF Downloads 672742 Effect of Green Coffee Bean Extract on Gentamicin Induced Acute Renal Failure in Rats
Authors: Amina Unis, Samah S. El Basateeny, Noha A. H. Nassef
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Introduction: Acute Renal Failure (ARF) is one of the most common problems encountered in hospitalized critically ill patients. In recent years great effort has been focused on the introduction of herbal medicine as a novel therapeutic agent for prevention of ARF. Hence, the current study was designed to investigate the effect of Green Coffee Bean Extract (GCBE) on gentamicin induced ARF in rats. Methods: The study was conducted on 60 male rats divided into six equal groups. Group 1 served as normal control group and GCBE was administered for 7 days at a dose of 20 mg/kg/day in group 2 and 40 mg/kg/day in group 3 to test the effect of GCBE on normal kidneys. ARF was induced by a daily intraperitoneal injection of gentamicin (80 mg/kg) for 7 days in group 4 (model group), group 5 (GCBE 20 mg/kg/day) and group 6 (GCBE 20 mg/kg/day). All rats were sacrificed after 7 days and blood was withdrawn for kidney function tests. Kidneys were removed for determination of renal oxidative stress markers and histopathological examination. Results: The present study showed that rats that received oral GCBE for 7 days without induction of ARF showed no significant change in all the assessed parameters in comparison to the normal control group, while rats in the groups that received oral GCBE for 7 days with induction of ARF showed a significant improvement in kidney functions tests (decrease in serum urea, serum creatinine, and blood urea nitrogen) when compared to the ARF model group. Moreover, there was significant amelioration in renal oxidative stress markers (renal malondialdehyde, renal superoxide dismutase) and renal histopathological changes in the GCBE treated groups along induction of ARF when compared to ARF model group. The most significant improvement was reported in the group where GCBE was administered for 7 days in a dose 40 mg/kg/day, along with induction of ARF. Conclusion: GCBE has a potential role in ameliorating renal damage involved in ARF mostly through its antioxidant effect.Keywords: green coffee bean extract, gentamicin, acute renal failure, pharmacology
Procedia PDF Downloads 2952741 Prediction of Terrorist Activities in Nigeria using Bayesian Neural Network with Heterogeneous Transfer Functions
Authors: Tayo P. Ogundunmade, Adedayo A. Adepoju
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Terrorist attacks in liberal democracies bring about a few pessimistic results, for example, sabotaged public support in the governments they target, disturbing the peace of a protected environment underwritten by the state, and a limitation of individuals from adding to the advancement of the country, among others. Hence, seeking for techniques to understand the different factors involved in terrorism and how to deal with those factors in order to completely stop or reduce terrorist activities is the topmost priority of the government in every country. This research aim is to develop an efficient deep learning-based predictive model for the prediction of future terrorist activities in Nigeria, addressing low-quality prediction accuracy problems associated with the existing solution methods. The proposed predictive AI-based model as a counterterrorism tool will be useful by governments and law enforcement agencies to protect the lives of individuals in society and to improve the quality of life in general. A Heterogeneous Bayesian Neural Network (HETBNN) model was derived with Gaussian error normal distribution. Three primary transfer functions (HOTTFs), as well as two derived transfer functions (HETTFs) arising from the convolution of the HOTTFs, are namely; Symmetric Saturated Linear transfer function (SATLINS ), Hyperbolic Tangent transfer function (TANH), Hyperbolic Tangent sigmoid transfer function (TANSIG), Symmetric Saturated Linear and Hyperbolic Tangent transfer function (SATLINS-TANH) and Symmetric Saturated Linear and Hyperbolic Tangent Sigmoid transfer function (SATLINS-TANSIG). Data on the Terrorist activities in Nigeria gathered through questionnaires for the purpose of this study were used. Mean Square Error (MSE), Mean Absolute Error (MAE) and Test Error are the forecast prediction criteria. The results showed that the HETFs performed better in terms of prediction and factors associated with terrorist activities in Nigeria were determined. The proposed predictive deep learning-based model will be useful to governments and law enforcement agencies as an effective counterterrorism mechanism to understand the parameters of terrorism and to design strategies to deal with terrorism before an incident actually happens and potentially causes the loss of precious lives. The proposed predictive AI-based model will reduce the chances of terrorist activities and is particularly helpful for security agencies to predict future terrorist activities.Keywords: activation functions, Bayesian neural network, mean square error, test error, terrorism
Procedia PDF Downloads 1672740 Physics-Informed Convolutional Neural Networks for Reservoir Simulation
Authors: Jiangxia Han, Liang Xue, Keda Chen
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Despite the significant progress over the last decades in reservoir simulation using numerical discretization, meshing is complex. Moreover, the high degree of freedom of the space-time flow field makes the solution process very time-consuming. Therefore, we present Physics-Informed Convolutional Neural Networks(PICNN) as a hybrid scientific theory and data method for reservoir modeling. Besides labeled data, the model is driven by the scientific theories of the underlying problem, such as governing equations, boundary conditions, and initial conditions. PICNN integrates governing equations and boundary conditions into the network architecture in the form of a customized convolution kernel. The loss function is composed of data matching, initial conditions, and other measurable prior knowledge. By customizing the convolution kernel and minimizing the loss function, the neural network parameters not only fit the data but also honor the governing equation. The PICNN provides a methodology to model and history-match flow and transport problems in porous media. Numerical results demonstrate that the proposed PICNN can provide an accurate physical solution from a limited dataset. We show how this method can be applied in the context of a forward simulation for continuous problems. Furthermore, several complex scenarios are tested, including the existence of data noise, different work schedules, and different good patterns.Keywords: convolutional neural networks, deep learning, flow and transport in porous media, physics-informed neural networks, reservoir simulation
Procedia PDF Downloads 1482739 Application of Metric Dimension of Graph in Unraveling the Complexity of Hyperacusis
Authors: Hassan Ibrahim
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The prevalence of hyperacusis, an auditory condition characterized by heightened sensitivity to sounds, continues to rise, posing challenges for effective diagnosis and intervention. It is believed that this work deepens will deepens the understanding of hyperacusis etiology by employing graph theory as a novel analytical framework. We constructed a comprehensive graph wherein nodes represent various factors associated with hyperacusis, including aging, head or neck trauma, infection/virus, depression, migraines, ear infection, anxiety, and other potential contributors. Relationships between factors are modeled as edges, allowing us to visualize and quantify the interactions within the etiological landscape of hyperacusis. it employ the concept of the metric dimension of a connected graph to identify key nodes (landmarks) that serve as critical influencers in the interconnected web of hyperacusis causes. This approach offers a unique perspective on the relative importance and centrality of different factors, shedding light on the complex interplay between physiological, psychological, and environmental determinants. Visualization techniques were also employed to enhance the interpretation and facilitate the identification of the central nodes. This research contributes to the growing body of knowledge surrounding hyperacusis by offering a network-centric perspective on its multifaceted causes. The outcomes hold the potential to inform clinical practices, guiding healthcare professionals in prioritizing interventions and personalized treatment plans based on the identified landmarks within the etiological network. Through the integration of graph theory into hyperacusis research, the complexity of this auditory condition was unraveled and pave the way for more effective approaches to its management.Keywords: auditory condition, connected graph, hyperacusis, metric dimension
Procedia PDF Downloads 402738 Evaluating the Satisfaction of Chinese Consumers toward Influencers at TikTok
Authors: Noriyuki Suyama
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The progress and spread of digitalization have led to the provision of a variety of new services. The recent progress in digitization can be attributed to rapid developments in science and technology. First, the research and diffusion of artificial intelligence (AI) has made dramatic progress. Around 2000, the third wave of AI research, which had been underway for about 50 years, arrived. Specifically, machine learning and deep learning were made possible in AI, and the ability of AI to acquire knowledge, define the knowledge, and update its own knowledge in a quantitative manner made the use of big data practical even for commercial PCs. On the other hand, with the spread of social media, information exchange has become more common in our daily lives, and the lending and borrowing of goods and services, in other words, the sharing economy, has become widespread. The scope of this trend is not limited to any industry, and its momentum is growing as the SDGs take root. In addition, the Social Network Service (SNS), a part of social media, has brought about the evolution of the retail business. In the past few years, social network services (SNS) involving users or companies have especially flourished. The People's Republic of China (hereinafter referred to as "China") is a country that is stimulating enormous consumption through its own unique SNS, which is different from the SNS used in developed countries around the world. This paper focuses on the effectiveness and challenges of influencer marketing by focusing on the influence of influencers on users' behavior and satisfaction with Chinese SNSs. Specifically, Conducted was the quantitative survey of Tik Tok users living in China, with the aim of gaining new insights from the analysis and discussions. As a result, we found several important findings and knowledge.Keywords: customer satisfaction, social networking services, influencer marketing, Chinese consumers’ behavior
Procedia PDF Downloads 902737 Machine Learning Prediction of Compressive Damage and Energy Absorption in Carbon Fiber-Reinforced Polymer Tubular Structures
Authors: Milad Abbasi
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Carbon fiber-reinforced polymer (CFRP) composite structures are increasingly being utilized in the automotive industry due to their lightweight and specific energy absorption capabilities. Although it is impossible to predict composite mechanical properties directly using theoretical methods, various research has been conducted so far in the literature for accurate simulation of CFRP structures' energy-absorbing behavior. In this research, axial compression experiments were carried out on hand lay-up unidirectional CFRP composite tubes. The fabrication method allowed the authors to extract the material properties of the CFRPs using ASTM D3039, D3410, and D3518 standards. A neural network machine learning algorithm was then utilized to build a robust prediction model to forecast the axial compressive properties of CFRP tubes while reducing high-cost experimental efforts. The predicted results have been compared with the experimental outcomes in terms of load-carrying capacity and energy absorption capability. The results showed high accuracy and precision in the prediction of the energy-absorption capacity of the CFRP tubes. This research also demonstrates the effectiveness and challenges of machine learning techniques in the robust simulation of composites' energy-absorption behavior. Interestingly, the proposed method considerably condensed numerical and experimental efforts in the simulation and calibration of CFRP composite tubes subjected to compressive loading.Keywords: CFRP composite tubes, energy absorption, crushing behavior, machine learning, neural network
Procedia PDF Downloads 1552736 Research Progress of the Relationship between Urban Rail Transit and Residents' Travel Behavior during 1999-2019: A Scientific Knowledge Mapping Based on Citespace and Vosviewer
Authors: Zheng Yi
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Among the attempts made worldwide to foster urban and transport sustainability, transit-oriented development certainly is one of the most successful. Residents' travel behavior is a concern in the researches about the impacts of transit-oriented development. The study takes 620 English journal papers in the core collection database of Web of Science as the study objects; the paper tries to map out the scientific knowledge mapping in the field and draw the basic conditions by co-citation analysis, co-word analysis, a total of citation network analysis and visualization techniques. This study teases out the research hotspots and evolution of the relationship between urban rail transit and resident's travel behavior from 1999 to 2019. According to the results of the analysis of the time-zone view and burst-detection, the paper discusses the trend of the next stage of international study. The results show that in the past 20 years, the research focuses on these keywords: land use, behavior, model, built environment, impact, travel behavior, walking, physical activity, smart card, big data, simulation, perception. According to different research contents, the key literature is further divided into these topics: the attributes of the built environment, land use, transportation network, transportation policies. The results of this paper can help to understand the related researches and achievements systematically. These results can also provide a reference for identifying the main challenges that relevant researches need to address in the future.Keywords: urban rail transit, travel behavior, knowledge map, evolution of researches
Procedia PDF Downloads 1112735 Pavement Failures and Its Maintenance
Authors: Maulik L. Sisodia, Tirth K. Raval, Aarsh S. Mistry
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This paper summarizes the ongoing researches about the defects in both flexible and rigid pavement and the maintenance in both flexible and rigid pavements. Various defects in pavements have been identified since the existence of both flexible and rigid pavement. Flexible Pavement failure is defined in terms of decreasing serviceability caused by the development of cracks, ruts, potholes etc. Flexible Pavement structure can be destroyed in a single season due to water penetration. Defects in flexible pavements is a problem of multiple dimensions, phenomenal growth of vehicular traffic (in terms of no. of axle loading of commercial vehicles), the rapid expansion in the road network, non-availability of suitable technology, material, equipment, skilled labor and poor funds allocation have all added complexities to the problem of flexible pavements. In rigid pavements due to different type of destress the failure like joint spalling, faulting, shrinkage cracking, punch out, corner break etc. Application of correction in the existing surface will enhance the life of maintenance works as well as that of strengthening layer. Maintenance of a road network involves a variety of operations, i.e., identification of deficiencies and planning, programming and scheduling for actual implementation in the field and monitoring. The essential objective should be to keep the road surface and appurtenances in good condition and to extend the life of the road assets to its design life. The paper describes lessons learnt from pavement failures and problems experienced during the last few years on a number of projects in India. Broadly, the activities include identification of defects and the possible cause there off, determination of appropriate remedial measures; implement these in the field and monitoring of the results.Keywords: Flexible Pavements, Rigid Pavements, Defects, Maintenance
Procedia PDF Downloads 1752734 Unraveling the Complexity of Hyperacusis: A Metric Dimension of a Graph Concept
Authors: Hassan Ibrahim
Abstract:
The prevalence of hyperacusis, an auditory condition characterized by heightened sensitivity to sounds, continues to rise, posing challenges for effective diagnosis and intervention. It is believed that this work deepens will deepens the understanding of hyperacusis etiology by employing graph theory as a novel analytical framework. it constructed a comprehensive graph wherein nodes represent various factors associated with hyperacusis, including aging, head or neck trauma, infection/virus, depression, migraines, ear infection, anxiety, and other potential contributors. Relationships between factors are modeled as edges, allowing us to visualize and quantify the interactions within the etiological landscape of hyperacusis. it employ the concept of the metric dimension of a connected graph to identify key nodes (landmarks) that serve as critical influencers in the interconnected web of hyperacusis causes. This approach offers a unique perspective on the relative importance and centrality of different factors, shedding light on the complex interplay between physiological, psychological, and environmental determinants. Visualization techniques were also employed to enhance the interpretation and facilitate the identification of the central nodes. This research contributes to the growing body of knowledge surrounding hyperacusis by offering a network-centric perspective on its multifaceted causes. The outcomes hold the potential to inform clinical practices, guiding healthcare professionals in prioritizing interventions and personalized treatment plans based on the identified landmarks within the etiological network. Through the integration of graph theory into hyperacusis research, the complexity of this auditory condition was unraveled and pave the way for more effective approaches to its management.Keywords: auditory condition, connected graph, hyperacusis, metric dimension
Procedia PDF Downloads 282733 Assessing Natura 2000 Network Effectiveness in Landscape Conservation: A Case Study in Castile and León, Spain (1990-2018)
Authors: Paula García-Llamas, Polonia Díez González, Angela Taboada
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In an era marked by unprecedented anthropogenic alterations to landscapes and biodiversity, the consequential loss of fauna, flora, and habitats poses a grave concern. It is imperative to evaluate our capacity to manage and mitigate such changes effectively. This study aims to scrutinize the efficacy of the Natura 2000 Network (NN2000) in landscape conservation within the autonomous community of Castile and Leon (Spain), spanning from 1990 to 2018. Leveraging land use change maps from the European Corine Land Cover database across four subperiods (1990-2000, 2000-2006, 2006-2012, and 2012-2018), we quantified alterations occurring both within NN2000 protected sites and within a 5km buffer zone. Additionally, we spatially assess land use/land cover patterns of change considering fluxes of various habitat types defined within NN2000. Our findings reveal that the protected areas under NN2000 were particularly susceptible to change, with the most significant transformations observed during the 1990-2000 period. Predominant change processes include secondary succession and scrubland formation due to land use cessation, deforestation, and agricultural intensification. While NN2000 demonstrates efficacy in curtailing urbanization and industrialization within buffer zones, its management measures have proven insufficient in safeguarding landscapes against the dynamic changes witnessed between 1990 and 2018, especially in relation to rural abandonment.Keywords: Corine land cover, land cover changes, site of community importance, special protection area
Procedia PDF Downloads 502732 Mammographic Multi-View Cancer Identification Using Siamese Neural Networks
Authors: Alisher Ibragimov, Sofya Senotrusova, Aleksandra Beliaeva, Egor Ushakov, Yuri Markin
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Mammography plays a critical role in screening for breast cancer in women, and artificial intelligence has enabled the automatic detection of diseases in medical images. Many of the current techniques used for mammogram analysis focus on a single view (mediolateral or craniocaudal view), while in clinical practice, radiologists consider multiple views of mammograms from both breasts to make a correct decision. Consequently, computer-aided diagnosis (CAD) systems could benefit from incorporating information gathered from multiple views. In this study, the introduce a method based on a Siamese neural network (SNN) model that simultaneously analyzes mammographic images from tri-view: bilateral and ipsilateral. In this way, when a decision is made on a single image of one breast, attention is also paid to two other images – a view of the same breast in a different projection and an image of the other breast as well. Consequently, the algorithm closely mimics the radiologist's practice of paying attention to the entire examination of a patient rather than to a single image. Additionally, to the best of our knowledge, this research represents the first experiments conducted using the recently released Vietnamese dataset of digital mammography (VinDr-Mammo). On an independent test set of images from this dataset, the best model achieved an AUC of 0.87 per image. Therefore, this suggests that there is a valuable automated second opinion in the interpretation of mammograms and breast cancer diagnosis, which in the future may help to alleviate the burden on radiologists and serve as an additional layer of verification.Keywords: breast cancer, computer-aided diagnosis, deep learning, multi-view mammogram, siamese neural network
Procedia PDF Downloads 1392731 Purification and Characterization of a Novel Extracellular Chitinase from Bacillus licheniformis LHH100
Authors: Laribi-Habchi Hasiba, Bouanane-Darenfed Amel, Drouiche Nadjib, Pausse André, Mameri Nabil
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Chitin, a linear 1, 4-linked N-acetyl-d-glucosamine (GlcNAc) polysaccharide is the major structural component of fungal cell walls, insect exoskeletons and shells of crustaceans. It is one of the most abundant naturally occurring polysaccharides and has attracted tremendous attention in the fields of agriculture, pharmacology and biotechnology. Each year, a vast amount of chitin waste is released from the aquatic food industry, where crustaceans (prawn, crab, Shrimp and lobster) constitute one of the main agricultural products. This creates a serious environmental problem. This linear polymer can be hydrolyzed by bases, acids or enzymes such as chitinase. In this context an extracellular chitinase (ChiA-65) was produced and purified from a newly isolated LHH100. Pure protein was obtained after heat treatment and ammonium sulphate precipitation followed by Sephacryl S-200 chromatography. Based on matrix assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF/MS) analysis, the purified enzyme is a monomer with a molecular mass of 65,195.13 Da. The sequence of the 27 N-terminal residues of the mature ChiA-65 showed high homology with family-18 chitinases. Optimal activity was achieved at pH 4 and 75◦C. Among the inhibitors and metals tested p-chloromercuribenzoic acid, N-ethylmaleimide, Hg2+ and Hg + completelyinhibited enzyme activity. Chitinase activity was high on colloidal chitin, glycol chitin, glycol chitosane, chitotriose and chitooligosaccharide. Chitinase activity towards synthetic substrates in the order of p-NP-(GlcNAc) n (n = 2–4) was p-NP-(GlcNAc)2> p-NP-(GlcNAc)4> p-NP-(GlcNAc)3. Our results suggest that ChiA-65 preferentially hydrolyzed the second glycosidic link from the non-reducing end of (GlcNAc) n. ChiA-65 obeyed Michaelis Menten kinetics the Km and kcat values being 0.385 mg, colloidal chitin/ml and5000 s−1, respectively. ChiA-65 exhibited remarkable biochemical properties suggesting that this enzyme is suitable for bioconversion of chitin waste.Keywords: Bacillus licheniformis LHH100, characterization, extracellular chitinase, purification
Procedia PDF Downloads 4372730 Buffer Allocation and Traffic Shaping Policies Implemented in Routers Based on a New Adaptive Intelligent Multi Agent Approach
Authors: M. Taheri Tehrani, H. Ajorloo
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In this paper, an intelligent multi-agent framework is developed for each router in which agents have two vital functionalities, traffic shaping and buffer allocation and are positioned in the ports of the routers. With traffic shaping functionality agents shape the traffic forward by dynamic and real time allocation of the rate of generation of tokens in a Token Bucket algorithm and with buffer allocation functionality agents share their buffer capacity between each other based on their need and the conditions of the network. This dynamic and intelligent framework gives this opportunity to some ports to work better under burst and more busy conditions. These agents work intelligently based on Reinforcement Learning (RL) algorithm and will consider effective parameters in their decision process. As RL have limitation considering much parameter in its decision process due to the volume of calculations, we utilize our novel method which invokes Principle Component Analysis (PCA) on the RL and gives a high dimensional ability to this algorithm to consider as much as needed parameters in its decision process. This implementation when is compared to our previous work where traffic shaping was done without any sharing and dynamic allocation of buffer size for each port, the lower packet drop in the whole network specifically in the source routers can be seen. These methods are implemented in our previous proposed intelligent simulation environment to be able to compare better the performance metrics. The results obtained from this simulation environment show an efficient and dynamic utilization of resources in terms of bandwidth and buffer capacities pre allocated to each port.Keywords: principal component analysis, reinforcement learning, buffer allocation, multi- agent systems
Procedia PDF Downloads 5192729 Comparing Deep Architectures for Selecting Optimal Machine Translation
Authors: Despoina Mouratidis, Katia Lida Kermanidis
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Machine translation (MT) is a very important task in Natural Language Processing (NLP). MT evaluation is crucial in MT development, as it constitutes the means to assess the success of an MT system, and also helps improve its performance. Several methods have been proposed for the evaluation of (MT) systems. Some of the most popular ones in automatic MT evaluation are score-based, such as the BLEU score, and others are based on lexical similarity or syntactic similarity between the MT outputs and the reference involving higher-level information like part of speech tagging (POS). This paper presents a language-independent machine learning framework for classifying pairwise translations. This framework uses vector representations of two machine-produced translations, one from a statistical machine translation model (SMT) and one from a neural machine translation model (NMT). The vector representations consist of automatically extracted word embeddings and string-like language-independent features. These vector representations used as an input to a multi-layer neural network (NN) that models the similarity between each MT output and the reference, as well as between the two MT outputs. To evaluate the proposed approach, a professional translation and a "ground-truth" annotation are used. The parallel corpora used are English-Greek (EN-GR) and English-Italian (EN-IT), in the educational domain and of informal genres (video lecture subtitles, course forum text, etc.) that are difficult to be reliably translated. They have tested three basic deep learning (DL) architectures to this schema: (i) fully-connected dense, (ii) Convolutional Neural Network (CNN), and (iii) Long Short-Term Memory (LSTM). Experiments show that all tested architectures achieved better results when compared against those of some of the well-known basic approaches, such as Random Forest (RF) and Support Vector Machine (SVM). Better accuracy results are obtained when LSTM layers are used in our schema. In terms of a balance between the results, better accuracy results are obtained when dense layers are used. The reason for this is that the model correctly classifies more sentences of the minority class (SMT). For a more integrated analysis of the accuracy results, a qualitative linguistic analysis is carried out. In this context, problems have been identified about some figures of speech, as the metaphors, or about certain linguistic phenomena, such as per etymology: paronyms. It is quite interesting to find out why all the classifiers led to worse accuracy results in Italian as compared to Greek, taking into account that the linguistic features employed are language independent.Keywords: machine learning, machine translation evaluation, neural network architecture, pairwise classification
Procedia PDF Downloads 1332728 A Hybrid Artificial Intelligence and Two Dimensional Depth Averaged Numerical Model for Solving Shallow Water and Exner Equations Simultaneously
Authors: S. Mehrab Amiri, Nasser Talebbeydokhti
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Modeling sediment transport processes by means of numerical approach often poses severe challenges. In this way, a number of techniques have been suggested to solve flow and sediment equations in decoupled, semi-coupled or fully coupled forms. Furthermore, in order to capture flow discontinuities, a number of techniques, like artificial viscosity and shock fitting, have been proposed for solving these equations which are mostly required careful calibration processes. In this research, a numerical scheme for solving shallow water and Exner equations in fully coupled form is presented. First-Order Centered scheme is applied for producing required numerical fluxes and the reconstruction process is carried out toward using Monotonic Upstream Scheme for Conservation Laws to achieve a high order scheme. In order to satisfy C-property of the scheme in presence of bed topography, Surface Gradient Method is proposed. Combining the presented scheme with fourth order Runge-Kutta algorithm for time integration yields a competent numerical scheme. In addition, to handle non-prismatic channels problems, Cartesian Cut Cell Method is employed. A trained Multi-Layer Perceptron Artificial Neural Network which is of Feed Forward Back Propagation (FFBP) type estimates sediment flow discharge in the model rather than usual empirical formulas. Hydrodynamic part of the model is tested for showing its capability in simulation of flow discontinuities, transcritical flows, wetting/drying conditions and non-prismatic channel flows. In this end, dam-break flow onto a locally non-prismatic converging-diverging channel with initially dry bed conditions is modeled. The morphodynamic part of the model is verified simulating dam break on a dry movable bed and bed level variations in an alluvial junction. The results show that the model is capable in capturing the flow discontinuities, solving wetting/drying problems even in non-prismatic channels and presenting proper results for movable bed situations. It can also be deducted that applying Artificial Neural Network, instead of common empirical formulas for estimating sediment flow discharge, leads to more accurate results.Keywords: artificial neural network, morphodynamic model, sediment continuity equation, shallow water equations
Procedia PDF Downloads 1902727 A Vision-Based Early Warning System to Prevent Elephant-Train Collisions
Authors: Shanaka Gunasekara, Maleen Jayasuriya, Nalin Harischandra, Lilantha Samaranayake, Gamini Dissanayake
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One serious facet of the worsening Human-Elephant conflict (HEC) in nations such as Sri Lanka involves elephant-train collisions. Endangered Asian elephants are maimed or killed during such accidents, which also often result in orphaned or disabled elephants, contributing to the phenomenon of lone elephants. These lone elephants are found to be more likely to attack villages and showcase aggressive behaviour, which further exacerbates the overall HEC. Furthermore, Railway Services incur significant financial losses and disruptions to services annually due to such accidents. Most elephant-train collisions occur due to a lack of adequate reaction time. This is due to the significant stopping distance requirements of trains, as the full braking force needs to be avoided to minimise the risk of derailment. Thus, poor driver visibility at sharp turns, nighttime operation, and poor weather conditions are often contributing factors to this problem. Initial investigations also indicate that most collisions occur in localised “hotspots” where elephant pathways/corridors intersect with railway tracks that border grazing land and watering holes. Taking these factors into consideration, this work proposes the leveraging of recent developments in Convolutional Neural Network (CNN) technology to detect elephants using an RGB/infrared capable camera around known hotspots along the railway track. The CNN was trained using a curated dataset of elephants collected on field visits to elephant sanctuaries and wildlife parks in Sri Lanka. With this vision-based detection system at its core, a prototype unit of an early warning system was designed and tested. This weatherised and waterproofed unit consists of a Reolink security camera which provides a wide field of view and range, an Nvidia Jetson Xavier computing unit, a rechargeable battery, and a solar panel for self-sufficient functioning. The prototype unit was designed to be a low-cost, low-power and small footprint device that can be mounted on infrastructures such as poles or trees. If an elephant is detected, an early warning message is communicated to the train driver using the GSM network. A mobile app for this purpose was also designed to ensure that the warning is clearly communicated. A centralized control station manages and communicates all information through the train station network to ensure coordination among important stakeholders. Initial results indicate that detection accuracy is sufficient under varying lighting situations, provided comprehensive training datasets that represent a wide range of challenging conditions are available. The overall hardware prototype was shown to be robust and reliable. We envision a network of such units may help contribute to reducing the problem of elephant-train collisions and has the potential to act as an important surveillance mechanism in dealing with the broader issue of human-elephant conflicts.Keywords: computer vision, deep learning, human-elephant conflict, wildlife early warning technology
Procedia PDF Downloads 2282726 The Quality of Business Relationships in the Tourism System: An Imaginary Organisation Approach
Authors: Armando Luis Vieira, Carlos Costa, Arthur Araújo
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The tourism system is viewable as a network of relationships amongst business partners where the success of each actor will ultimately be determined by the success of the whole network. Especially since the publication of Gümmesson’s (1996) ‘theory of imaginary organisations’, which suggests that organisational effectiveness largely depends on managing relationships and sharing resources and activities, relationship quality (RQ) has been increasingly recognised as a main source of value creation and competitive advantage. However, there is still ambiguity around this topic, and managers and researchers have been recurrently reporting the need to better understand and capitalise on the quality of interactions with business partners. This research aims at testing an RQ model from a relational, imaginary organisation’s approach. Two mail surveys provide the perceptions of 725 hotel representatives about their business relationships with tour operators, and 1,224 corporate client representatives about their business relationships with hotels (21.9 % and 38.8 % response rate, respectively). The analysis contributes to enhance our understanding on the linkages between RQ and its determinants, and identifies the role of their dimensions. Structural equation modelling results highlight trust as the dominant dimension, the crucial role of commitment and satisfaction, and suggest customer orientation as complementary building block. Findings also emphasise problem solving behaviour and selling orientation as the most relevant dimensions of customer orientation. The comparison of the two ‘dyads’ deepens the discussion and enriches the suggested theoretical and managerial guidelines concerning the contribution of quality relationships to business performance.Keywords: corporate clients, destination competitiveness, hotels, relationship quality, structural equations modelling, tour operators
Procedia PDF Downloads 3962725 Exploring Data Stewardship in Fog Networking Using Blockchain Algorithm
Authors: Ruvaitha Banu, Amaladhithyan Krishnamoorthy
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IoT networks today solve various consumer problems, from home automation systems to aiding in driving autonomous vehicles with the exploration of multiple devices. For example, in an autonomous vehicle environment, multiple sensors are available on roads to monitor weather and road conditions and interact with each other to aid the vehicle in reaching its destination safely and timely. IoT systems are predominantly dependent on the cloud environment for data storage, and computing needs that result in latency problems. With the advent of Fog networks, some of this storage and computing is pushed to the edge/fog nodes, saving the network bandwidth and reducing the latency proportionally. Managing the data stored in these fog nodes becomes crucial as it might also store sensitive information required for a certain application. Data management in fog nodes is strenuous because Fog networks are dynamic in terms of their availability and hardware capability. It becomes more challenging when the nodes in the network also live a short span, detaching and joining frequently. When an end-user or Fog Node wants to access, read, or write data stored in another Fog Node, then a new protocol becomes necessary to access/manage the data stored in the fog devices as a conventional static way of managing the data doesn’t work in Fog Networks. The proposed solution discusses a protocol that acts by defining sensitivity levels for the data being written and read. Additionally, a distinct data distribution and replication model among the Fog nodes is established to decentralize the access mechanism. In this paper, the proposed model implements stewardship towards the data stored in the Fog node using the application of Reinforcement Learning so that access to the data is determined dynamically based on the requests.Keywords: IoT, fog networks, data stewardship, dynamic access policy
Procedia PDF Downloads 602724 Implementation of Social Network Analysis to Analyze the Dependency between Construction Bid Packages
Authors: Kawalpreet Kaur, Panagiotis Mitropoulos
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The division of the project scope into work packages is the most important step in the preconstruction phase of construction projects. The work division determines the scope and complexity of each bid package, resulting in dependencies between project participants performing these work packages. The coordination between project participants is necessary because of these dependencies. Excessive dependencies between the bid packages create coordination difficulties, leading to delays, added costs, and contractual friction among project participants. However, the literature on construction provides limited knowledge regarding work structuring approaches, issues, and challenges. Manufacturing industry literature provides a systematic approach to defining the project scope into work packages, and the implementation of social network analysis (SNA) in manufacturing is an effective approach to defining and analyzing the divided scope of work at the dependencies level. This paper presents a case study of implementing a similar approach using SNA in construction bid packages. The study uses SNA to analyze the scope of bid packages and determine the dependency between scope elements. The method successfully identifies the bid package with the maximum interaction with other trade contractors and the scope elements that are crucial for project performance. The analysis provided graphical and quantitative information on bid package dependencies. The study can be helpful in performing an analysis to determine the dependencies between bid packages and their scope elements and how these scope elements are critical for project performance. The study illustrates the potential use of SNA as a systematic approach to analyzing bid package dependencies in construction projects, which can guide the division of crucial scope elements to minimize negative impacts on project performance.Keywords: work structuring, bid packages, work breakdown, project participants
Procedia PDF Downloads 812723 Computational Insights Into Allosteric Regulation of Lyn Protein Kinase: Structural Dynamics and Impacts of Cancer-Related Mutations
Authors: Mina Rabipour, Elena Pallaske, Floyd Hassenrück, Rocio Rebollido-Rios
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Protein tyrosine kinases, including Lyn kinase of the Src family kinases (SFK), regulate cell proliferation, survival, and differentiation. Lyn kinase has been implicated in various cancers, positioning it as a promising therapeutic target. However, the conserved ATP-binding pocket across SFKs makes developing selective inhibitors challenging. This study aims to address this limitation by exploring the potential for allosteric modulation of Lyn kinase, focusing on how its structural dynamics and specific oncogenic mutations impact its conformation and function. To achieve this, we combined homology modeling, molecular dynamics simulations, and data science techniques to conduct microsecond-length simulations. Our approach allowed a detailed investigation into the interplay between Lyn’s catalytic and regulatory domains, identifying key conformational states involved in allosteric regulation. Additionally, we evaluated the structural effects of Dasatinib, a competitive inhibitor, and ATP binding on Lyn active conformation. Notably, our simulations show that cancer-related mutations, specifically I364L/N and E290D/K, shift Lyn toward an inactive conformation, contrasting with the active state of the wild-type protein. This may suggest how these mutations contribute to aberrant signaling in cancer cells. We conducted a dynamical network analysis to assess residue-residue interactions and the impact of mutations on the Lyn intramolecular network. This revealed significant disruptions due to mutations, especially in regions distant from the ATP-binding site. These disruptions suggest potential allosteric sites as therapeutic targets, offering an alternative strategy for Lyn inhibition with higher specificity and fewer off-target effects compared to ATP-competitive inhibitors. Our findings provide insights into Lyn kinase regulation and highlight allosteric sites as avenues for selective drug development. Targeting these sites may modulate Lyn activity in cancer cells, reducing toxicity and improving outcomes. Furthermore, our computational strategy offers a scalable approach for analyzing other SFK members or kinases with similar properties, facilitating the discovery of selective allosteric modulators and contributing to precise cancer therapies.Keywords: lyn tyrosine kinase, mutation analysis, conformational changes, dynamic network analysis, allosteric modulation, targeted inhibition
Procedia PDF Downloads 172722 Quantified Metabolomics for the Determination of Phenotypes and Biomarkers across Species in Health and Disease
Authors: Miroslava Cuperlovic-Culf, Lipu Wang, Ketty Boyle, Nadine Makley, Ian Burton, Anissa Belkaid, Mohamed Touaibia, Marc E. Surrette
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Metabolic changes are one of the major factors in the development of a variety of diseases in various species. Metabolism of agricultural plants is altered the following infection with pathogens sometimes contributing to resistance. At the same time, pathogens use metabolites for infection and progression. In humans, metabolism is a hallmark of cancer development for example. Quantified metabolomics data combined with other omics or clinical data and analyzed using various unsupervised and supervised methods can lead to better diagnosis and prognosis. It can also provide information about resistance as well as contribute knowledge of compounds significant for disease progression or prevention. In this work, different methods for metabolomics quantification and analysis from Nuclear Magnetic Resonance (NMR) measurements that are used for investigation of disease development in wheat and human cells will be presented. One-dimensional 1H NMR spectra are used extensively for metabolic profiling due to their high reliability, wide range of applicability, speed, trivial sample preparation and low cost. This presentation will describe a new method for metabolite quantification from NMR data that combines alignment of spectra of standards to sample spectra followed by multivariate linear regression optimization of spectra of assigned metabolites to samples’ spectra. Several different alignment methods were tested and multivariate linear regression result has been compared with other quantification methods. Quantified metabolomics data can be analyzed in the variety of ways and we will present different clustering methods used for phenotype determination, network analysis providing knowledge about the relationships between metabolites through metabolic network as well as biomarker selection providing novel markers. These analysis methods have been utilized for the investigation of fusarium head blight resistance in wheat cultivars as well as analysis of the effect of estrogen receptor and carbonic anhydrase activation and inhibition on breast cancer cell metabolism. Metabolic changes in spikelet’s of wheat cultivars FL62R1, Stettler, MuchMore and Sumai3 following fusarium graminearum infection were explored. Extensive 1D 1H and 2D NMR measurements provided information for detailed metabolite assignment and quantification leading to possible metabolic markers discriminating resistance level in wheat subtypes. Quantification data is compared to results obtained using other published methods. Fusarium infection induced metabolic changes in different wheat varieties are discussed in the context of metabolic network and resistance. Quantitative metabolomics has been used for the investigation of the effect of targeted enzyme inhibition in cancer. In this work, the effect of 17 β -estradiol and ferulic acid on metabolism of ER+ breast cancer cells has been compared to their effect on ER- control cells. The effect of the inhibitors of carbonic anhydrase on the observed metabolic changes resulting from ER activation has also been determined. Metabolic profiles were studied using 1D and 2D metabolomic NMR experiments, combined with the identification and quantification of metabolites, and the annotation of the results is provided in the context of biochemical pathways.Keywords: metabolic biomarkers, metabolic network, metabolomics, multivariate linear regression, NMR quantification, quantified metabolomics, spectral alignment
Procedia PDF Downloads 3402721 Potentiality of the Wind Energy in Algeria
Authors: C. Benoudjafer, M. N. Tandjaoui, C. Benachaiba
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The use of kinetic energy of the wind is in full rise in the world and it starts to be known in our country but timidly. One or more aero generators can be installed to produce for example electricity on isolated places or not connected to the electrical supply network. To use the wind as energy source, it is necessary to know first the energy needs for the population and study the wind intensity, speed, frequency and direction.Keywords: Algeria, renewable energies, wind, wind power, aero-generators, wind energetic potential
Procedia PDF Downloads 4332720 Medication Errors in Neonatal Intensive Care Unit
Authors: Ramzi Shawahna
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Background: Neonatal intensive care units are high-risk settings where medication errors can occur and cause harm to this fragile segment of patients. This multicenter qualitative study was conducted to describe medication errors that occurred in neonatal intensive care units in Palestine from the perspectives of healthcare providers. Methods: This exploratory multicenter qualitative study was conducted and reported in adherence to the consolidated criteria for reporting qualitative research checklist. Semi-structured in-depth interviews were conducted with healthcare professionals (4 pediatricians/neonatologists and 11 intensive care unit nurses) who provided care services for patients admitted to neonatal intensive care units in Palestine. An interview schedule guided the semi-structured in-depth interviews. The qualitative interpretive description approach was used to thematically analyze the data. Results: The total duration of the interviews was 282 min. The healthcare providers described their experiences with 41 different medication errors. These medication errors were categorized under 3 categories and 10 subcategories. Errors that occurred while preparing/diluting/storing medications were related to calculations, using a wrong solvent/diluent, dilution errors, failure to adhere to guidelines while preparing the medication, failure to adhere to storage/packaging guidelines, and failure to adhere to labeling guidelines. Errors that occurred while prescribing/administering medications were related to inappropriate medication for the neonate, using a different administration technique from the one that was intended and administering a different dose from the one that was intended. Errors that occurred after administering the medications were related to failure to adhere to monitoring guidelines. Conclusion: In this multicenter study, pediatricians/neonatologists and neonatal intensive care unit nurses described medication errors occurring in intensive care units in Palestine. Medication errors occur in different stages of the medication process: preparation/dilution/storage, prescription/administration, and monitoring. Further studies are still needed to quantify medication errors occurring in neonatal intensive care units and investigate if the designed strategies could be effective in minimizing medication errors.Keywords: medication errors, pharmacist, pharmacology, neonates
Procedia PDF Downloads 862719 Structure Clustering for Milestoning Applications of Complex Conformational Transitions
Authors: Amani Tahat, Serdal Kirmizialtin
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Trajectory fragment methods such as Markov State Models (MSM), Milestoning (MS) and Transition Path sampling are the prime choice of extending the timescale of all atom Molecular Dynamics simulations. In these approaches, a set of structures that covers the accessible phase space has to be chosen a priori using cluster analysis. Structural clustering serves to partition the conformational state into natural subgroups based on their similarity, an essential statistical methodology that is used for analyzing numerous sets of empirical data produced by Molecular Dynamics (MD) simulations. Local transition kernel among these clusters later used to connect the metastable states using a Markovian kinetic model in MSM and a non-Markovian model in MS. The choice of clustering approach in constructing such kernel is crucial since the high dimensionality of the biomolecular structures might easily confuse the identification of clusters when using the traditional hierarchical clustering methodology. Of particular interest, in the case of MS where the milestones are very close to each other, accurate determination of the milestone identity of the trajectory becomes a challenging issue. Throughout this work we present two cluster analysis methods applied to the cis–trans isomerism of dinucleotide AA. The choice of nucleic acids to commonly used proteins to study the cluster analysis is two fold: i) the energy landscape is rugged; hence transitions are more complex, enabling a more realistic model to study conformational transitions, ii) Nucleic acids conformational space is high dimensional. A diverse set of internal coordinates is necessary to describe the metastable states in nucleic acids, posing a challenge in studying the conformational transitions. Herein, we need improved clustering methods that accurately identify the AA structure in its metastable states in a robust way for a wide range of confused data conditions. The single linkage approach of the hierarchical clustering available in GROMACS MD-package is the first clustering methodology applied to our data. Self Organizing Map (SOM) neural network, that also known as a Kohonen network, is the second data clustering methodology. The performance comparison of the neural network as well as hierarchical clustering method is studied by means of computing the mean first passage times for the cis-trans conformational rates. Our hope is that this study provides insight into the complexities and need in determining the appropriate clustering algorithm for kinetic analysis. Our results can improve the effectiveness of decisions based on clustering confused empirical data in studying conformational transitions in biomolecules.Keywords: milestoning, self organizing map, single linkage, structure clustering
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