Search results for: structural substance
3301 Influence of Hydrophobic Surface on Flow Past Square Cylinder
Authors: S. Ajith Kumar, Vaisakh S. Rajan
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In external flows, vortex shedding behind the bluff bodies causes to experience unsteady loads on a large number of engineering structures, resulting in structural failure. Vortex shedding can even turn out to be disastrous like the Tacoma Bridge failure incident. We need to have control over vortex shedding to get rid of this untoward condition by reducing the unsteady forces acting on the bluff body. In circular cylinders, hydrophobic surface in an otherwise no-slip surface is found to be delaying separation and minimizes the effects of vortex shedding drastically. Flow over square cylinder stands different from this behavior as separation can takes place from either of the two corner separation points (front or rear). An attempt is made in this study to numerically elucidate the effect of hydrophobic surface in flow over a square cylinder. A 2D numerical simulation has been done to understand the effects of the slip surface on the flow past square cylinder. The details of the numerical algorithm will be presented at the time of the conference. A non-dimensional parameter, Knudsen number is defined to quantify the slip on the cylinder surface based on Maxwell’s equation. The slip surface condition of the wall affects the vorticity distribution around the cylinder and the flow separation. In the numerical analysis, we observed that the hydrophobic surface enhances the shedding frequency and damps down the amplitude of oscillations of the square cylinder. We also found that the slip has a negative effect on aerodynamic force coefficients such as the coefficient of lift (CL), coefficient of drag (CD) etc. and hence replacing the no slip surface by a hydrophobic surface can be treated as an effective drag reduction strategy and the introduction of hydrophobic surface could be utilized for reducing the vortex induced vibrations (VIV) and is found as an effective method in controlling VIV thereby controlling the structural failures.Keywords: drag reduction, flow past square cylinder, flow control, hydrophobic surfaces, vortex shedding
Procedia PDF Downloads 3753300 Seismic Retrofits – A Catalyst for Minimizing the Building Sector’s Carbon Footprint
Authors: Juliane Spaak
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A life-cycle assessment was performed, looking at seven retrofit projects in New Zealand using LCAQuickV3.5. The study found that retrofits save up to 80% of embodied carbon emissions for the structural elements compared to a new building. In other words, it is only a 20% carbon investment to transform and extend a building’s life. In addition, the systems were evaluated by looking at environmental impacts over the design life of these buildings and resilience using FEMA P58 and PACT software. With the increasing interest in Zero Carbon targets, significant changes in the building and construction sector are required. Emissions for buildings arise from both embodied carbon and operations. Based on the significant advancements in building energy technology, the focus is moving more toward embodied carbon, a large portion of which is associated with the structure. Since older buildings make up most of the real estate stock of our cities around the world, their reuse through structural retrofit and wider refurbishment plays an important role in extending the life of a building’s embodied carbon. New Zealand’s building owners and engineers have learned a lot about seismic issues following a decade of significant earthquakes. Recent earthquakes have brought to light the necessity to move away from constructing code-minimum structures that are designed for life safety but are frequently ‘disposable’ after a moderate earthquake event, especially in relation to a structure’s ability to minimize damage. This means weaker buildings sit as ‘carbon liabilities’, with considerably more carbon likely to be expended remediating damage after a shake. Renovating and retrofitting older assets plays a big part in reducing the carbon profile of the buildings sector, as breathing new life into a building’s structure is vastly more sustainable than the highest quality ‘green’ new builds, which are inherently more carbon-intensive. The demolition of viable older buildings (often including heritage buildings) is increasingly at odds with society’s desire for a lower carbon economy. Bringing seismic resilience and carbon best practice together in decision-making can open the door to commercially attractive outcomes, with retrofits that include structural and sustainability upgrades transforming the asset’s revenue generation. Across the global real estate market, tenants are increasingly demanding the buildings they occupy be resilient and aligned with their own climate targets. The relationship between seismic performance and ‘sustainable design’ has yet to fully mature, yet in a wider context is of profound consequence. A whole-of-life carbon perspective on a building means designing for the likely natural hazards within the asset’s expected lifespan, be that earthquake, storms, damage, bushfires, fires, and so on, ¬with financial mitigation (e.g., insurance) part, but not all, of the picture.Keywords: retrofit, sustainability, earthquake, reuse, carbon, resilient
Procedia PDF Downloads 733299 Pleated Surfaces: Experimentation and Examples
Authors: Maritza Granados Manjarrés
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This paper makes part of an investigation project which experiments with flat surfaces in order to pleat them using tessellations and flat origami conditions. The aim of the investigation is to eventually propose not only a methodology on how to pleat those surfaces but also to find an structural system to make them work as building skins. This stage of the investigation emphasizes on the experimentation with flat surfaces and different kinds of folding patterns and shows the many examples that can be made from this experimentation.Keywords: flat origami, fold, space, surface
Procedia PDF Downloads 2913298 Bridge Damage Detection and Stiffness Reduction Using Vibration Data: Experimental Investigation on a Small Scale Steel Bridge
Authors: Mirco Tarozzi, Giacomo Pignagnoli, Andrea Benedetti
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The design of planning maintenance of civil structures often requires the evaluation of their level of safety in order to be able to choose which structure, and in which measure, it needs a structural retrofit. This work deals with the evaluation of the stiffness reduction of a scaled steel deck due to the presence of localized damages. The dynamic tests performed on it have shown the variability of its main frequencies linked to the gradual reduction of its rigidity. This deck consists in a steel grillage of four secondary beams and three main beams linked to a concrete slab. This steel deck is 6 m long and 3 m wide and it rests on two abutments made of concrete. By processing the signals of the accelerations due to a random excitation of the deck, the main natural frequencies of this bridge have been extracted. In order to assign more reliable parameters to the numerical model of the deck, some load tests have been performed and the mechanical property of the materials and the supports have been obtained. The two external beams have been cut at one third of their length and the structural strength has been restored by the design of a bolted plate. The gradual loss of the bolts and the plates removal have made the simulation of localized damage possible. In order to define the relationship between frequency variation and loss in stiffness, the identification of its natural frequencies has been performed, before and after the occurrence of the damage, corresponding to each step. The study of the relationship between stiffness losses and frequency shifts has been reported in this paper: the square of the frequency variation due to the presence of the damage is proportional to the ratio between the rigidities. This relationship can be used to quantify the loss in stiffness of a real scale bridge in an efficient way.Keywords: damage detection, dynamic test, frequency shifts, operational modal analysis, steel bridge
Procedia PDF Downloads 1603297 Profile of the Elderly Users of Alcohol and Other Drugs Attended at the Psychosocial Care Centers in the Federal District
Authors: J. S. P. Barbosa, L. C. Pereira, K. R. Garcia, P. C. P. Bouchardet, S. C. T. Vieira, A. O. Gomes, S. S. Funghetto, M. G. O. Kanikowski
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For this population, height seems to be a good predictor of strength and body composition. This increase in life expectancy of the Brazilian's population is associated with sociodemographic variables, but also to more access to health services in the prevention and better living conditions. With the growth of elderly population, a problem that has been a concern to health's professionals and public health at all is the use of psychoactive substances. The purpose of this study was to identify the sociodemographic profile of the elderly people who was attended at the Center of Psychosocial Care of alcohol and other drugs in the Federal District of Brazil. 408 medical records of people aged 60 years or over were evaluated, and it is possible to know that most of them were males (85.3%), with a mean age of 64 years (DP ± 4.16), 60 and 84 years and a mean age of 64 years (DP ± 4.42); 88.2% have some family ties, are married and have children, with relatives living in masonry housing. The educational level of drug users was considered low with more emphasis on those who had elementary education being the majority retired or unemployed. Regarding the street situation, there was no significance (p = 0.084), and the women (OR = 2.98) had few chances of street situations compared to men (OR = 0.89). As for substance consumption, the highest quantity of drug consumption bids in relation to the number of illicit. It did not present significant statistical value, and there is a greater probability of consumption/abuse of legal and/or illicit drugs for both sexes (OR = 0.96) for men and (OR = 1.32) for women. In relation to the use of multiple drugs, there was no significant difference between the sexes, (OR = 1.1) male sex and (OR = 0.74) female sex. Based on the results found in the present study, it was concluded that alcohol consumption is the main agent that causes vulnerability in the elderly and predisposes the latter to the consumption of other associated drugs.Keywords: centers of attention psychosocial alcohol and drugs, elderly, mental disorder due to drug use, street situations
Procedia PDF Downloads 2143296 Seismic Fragility Assessment of Strongback Steel Braced Frames Subjected to Near-Field Earthquakes
Authors: Mohammadreza Salek Faramarzi, Touraj Taghikhany
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In this paper, seismic fragility assessment of a recently developed hybrid structural system, known as the strongback system (SBS) is investigated. In this system, to mitigate the occurrence of the soft-story mechanism and improve the distribution of story drifts over the height of the structure, an elastic vertical truss is formed. The strengthened members of the braced span are designed to remain substantially elastic during levels of excitation where soft-story mechanisms are likely to occur and impose a nearly uniform story drift distribution. Due to the distinctive characteristics of near-field ground motions, it seems to be necessary to study the effect of these records on seismic performance of the SBS. To this end, a set of 56 near-field ground motion records suggested by FEMA P695 methodology is used. For fragility assessment, nonlinear dynamic analyses are carried out in OpenSEES based on the recommended procedure in HAZUS technical manual. Four damage states including slight, moderate, extensive, and complete damage (collapse) are considered. To evaluate each damage state, inter-story drift ratio and floor acceleration are implemented as engineering demand parameters. Further, to extend the evaluation of the collapse state of the system, a different collapse criterion suggested in FEMA P695 is applied. It is concluded that SBS can significantly increase the collapse capacity and consequently decrease the collapse risk of the structure during its life time. Comparing the observing mean annual frequency (MAF) of exceedance of each damage state against the allowable values presented in performance-based design methods, it is found that using the elastic vertical truss, improves the structural response effectively.Keywords: IDA, near-fault, probabilistic performance assessment, seismic fragility, strongback system, uncertainty
Procedia PDF Downloads 1153295 Dwindling the Stability of DNA Sequence by Base Substitution at Intersection of COMT and MIR4761 Gene
Authors: Srishty Gulati, Anju Singh, Shrikant Kukreti
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The manifestation of structural polymorphism in DNA depends on the sequence and surrounding environment. Ample of folded DNA structures have been found in the cellular system out of which DNA hairpins are very common, however, are indispensable due to their role in the replication initiation sites, recombination, transcription regulation, and protein recognition. We enumerate this approach in our study, where the two base substitutions and change in temperature embark destabilization of DNA structure and misbalance the equilibrium between two structures of a sequence present at the overlapping region of the human COMT gene and MIR4761 gene. COMT and MIR4761 gene encodes for catechol-O-methyltransferase (COMT) enzyme and microRNAs (miRNAs), respectively. Environmental changes and errors during cell division lead to genetic abnormalities. The COMT gene entailed in dopamine regulation fosters neurological diseases like Parkinson's disease, schizophrenia, velocardiofacial syndrome, etc. A 19-mer deoxyoligonucleotide sequence 5'-AGGACAAGGTGTGCATGCC-3' (COMT19) is located at exon-4 on chromosome 22 and band q11.2 at the intersection of COMT and MIR4761 gene. Bioinformatics studies suggest that this sequence is conserved in humans and few other organisms and is involved in recognition of transcription factors in the vicinity of 3'-end. Non-denaturating gel electrophoresis and CD spectroscopy of COMT sequences indicate the formation of hairpin type DNA structures. Temperature-dependent CD studies revealed an unusual shift in the slipped DNA-Hairpin DNA equilibrium with the change in temperature. Also, UV-thermal melting techniques suggest that the two base substitutions on the complementary strand of COMT19 did not affect the structure but reduces the stability of duplex. This study gives insight about the possibility of existing structurally polymorphic transient states within DNA segments present at the intersection of COMT and MIR4761 gene.Keywords: base-substitution, catechol-o-methyltransferase (COMT), hairpin-DNA, structural polymorphism
Procedia PDF Downloads 1223294 Food Insecurity and Mental Health among Adolescents in Southwest Ethiopia: Structural Equation Modeling Analysis
Authors: Mulusew G. Jebena, David Lindstrom, Tefera Belachew, Craig Hadley, Carl Lachat, Patrick Kolsteren
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Background: The biological and psychosocial consequence of food insecurity on physical health and nutritional status has been reported. But, its effect on mental health during adolescence remains unexplored. Thus, the main aim of this analysis is to examine the mechanism by which food insecurity is linked to mental health among adolescents living in Jimma, Southwest Ethiopia. Methods: We used data from third round observation of Jimma Longitudinal Family and Youth Survey (JLFSY). A total of 1,521 adolescents included for the main analysis. Food insecurity was measured using 5-items scale and The Self Reporting Questionnaire (SRQ-20) was used to measure mental distress. Structural equation modeling analysis was done using maximum likelihood estimation method. Model diagnostics test was reported. All p values were two tailed and P value ≤ 0.05 was used to determine statistical significance. Results: The prevalence of mental distress was 20.8%, 95% CI: (18.8, 22.9). After adjusted for covariates, the final model depicts food insecurity was associated with adolescent mental distress (β=.324). This analysis showed 94.1% of the effect of food insecurity on mental distress is direct. By contrast, 5.9% of the food insecurity effect is mediated by physical health. In addition, Self-rated health (β=.356), socioeconomic status (β=-.078) parental educational (β= .170), living in urban (β= .193) and female headed household (β=.205) were associated with adolescent mental distress. Conclusions: This finding highlights the direct effect of food insecurity on adolescent mental distress. Therefore, any intervention aimed to improve mental distress of adolescents should consider strategies to improve access to sufficient, safe, and nutritious food. Beside this, prevention of underlying factors such as psychosomatic health illness and improving socio economic status is also very critical. Furthermore longitudinal relationship of the long term effect of food insecurity on mental health should be investigated.Keywords: adolescent, Ethiopia, food insecurity, mental health
Procedia PDF Downloads 5963293 Effects of Destination Image, Perceived Value, Tourist Satisfaction and Service Quality on Destination Loyalty
Authors: Mahadzirah Mohamad, Nur Izzati Ab Ghani
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Worldwide, tourism sustained growth and remained to be one of the fast-growing sectors. Malaysia tourism industry experienced an unstable and declining pattern of international tourist arrival’s growth rate. The situation suggested that the industry was competitive and denoted the need to study factors that influence tourist loyalty. The primary purpose of this study was to develop a model that examined how destination image, perceived value, service quality and tourist satisfaction affect destination loyalty. The study was conducted at the Kuala Lumpur International Airport and Kota Kinabalu International Airport. The respondents were international tourists from United Kingdom and Australia and they were selected using simple random sampling method. A total of 337 respondents were subjected to data analysis using structural equation modelling. The study uncovered that perceived value and destination image was highly correlated and the model suggested that these constructs should be treated as one construct. The construct was labelled as overall destination image. Overall image had significant direct effect on service quality, satisfaction and loyalty. Service quality had a significant indirect effect on loyalty through satisfaction as a moderating variable. However, satisfaction had no mediating effect on the relationship between overall destination image and loyalty. The study suggested that more efforts should be focused on portraying the image of experiencing joy with many interesting natural scenic places to see whilst on a holiday to Malaysia. In addition, the destination management office should promote tourist visiting to Malaysia would enjoy quality service related to accommodation, information facilities, health, and shopping. Tourist satisfaction empirically proved to be an important construct that influenced destination loyalty. This study contributed to the extended knowledge that postulated overall image of a destination was measured by perceived value and destination image.Keywords: destination image, destination loyalty, structural equation modelling, tourist satisfaction
Procedia PDF Downloads 3983292 Emotional Intelligence as a Correlate of Conflict Management Styles among Managers and Supervisors in Work Organizations in Nigeria
Authors: Solomon Ojo
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The study investigated emotional intelligence as a correlate of conflict management styles among managers and supervisors in work organization. The study was a survey and Ex-post facto design was employed. A total of 407 participants took part in the study, and the participants were selected across different work organizations in the six (6) existing Geo-political zones in Nigeria, namely South-West, South East, South-South, North-East, North-West and North-Central. Questionnaire format was used for data collection in the study. Collected data were analyzed by both the Descriptive and Inferential Statistics, specifically using the Statistical Package for Social Sciences (SPSS) version 21.0. The findings revealed that considerate leadership style was significantly and positively related to the use of collaborating conflict management style, [r(405) = .50**, P < .01]; Considerate leadership style was significantly and positively related to the use of compromising conflict management style, [r(405) = .3**, P < .01]; Considerate leadership style was significantly and positively related to accommodation conflict management style, [r(405) = .64**, P < .01]; Considerate leadership style was not significantly related to competing conflict management style, [r(405) = .07, P > .05]; Considerate leadership style was significantly and negatively related to avoiding conflict management style, [r(405) = -.38**, P < .01]. Further, initiating structural leadership style was significantly and positively related to competing conflict management style, [r(405) = .33**, P < .01], avoiding conflict management style, [r(405) = .41**, P < .01]; collaborating conflict management style [r(405) = 51**, P < .01]. However, the findings showed that initiating structural leadership style was significantly and negatively related to compromising style, [r(405) = -.57**, P < .01] and accommodating style, [r(405) = -.13**, P < .01]. The findings were extensively discussed in relation to the existing body of literature. Moreover, it was concluded that leadership styles of managers and supervisors play a crucial role in the choice and use of conflict management styles in work organizations in Nigeria.Keywords: conflict management style, emotional, intelligence, leadership style, consideration, initiating structure, work organizations
Procedia PDF Downloads 2653291 Natural Gas Flow Optimization Using Pressure Profiling and Isolation Techniques
Authors: Syed Tahir Shah, Fazal Muhammad, Syed Kashif Shah, Maleeha Gul
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In recent days, natural gas has become a relatively clean and quality source of energy, which is recovered from deep wells by expensive drilling activities. The recovered substance is purified by processing in multiple stages to remove the unwanted/containments like dust, dirt, crude oil and other particles. Mostly, gas utilities are concerned with essential objectives of quantity/quality of natural gas delivery, financial outcome and safe natural gas volumetric inventory in the transmission gas pipeline. Gas quantity and quality are primarily related to standards / advanced metering procedures in processing units/transmission systems, and the financial outcome is defined by purchasing and selling gas also the operational cost of the transmission pipeline. SNGPL (Sui Northern Gas Pipelines Limited) Pakistan has a wide range of diameters of natural gas transmission pipelines network of over 9125 km. This research results in answer a few of the issues in accuracy/metering procedures via multiple advanced gadgets for gas flow attributes after being utilized in the transmission system and research. The effects of good pressure management in transmission gas pipeline network in contemplation to boost the gas volume deposited in the existing network and finally curbing gas losses UFG (Unaccounted for gas) for financial benefits. Furthermore, depending on the results and their observation, it is directed to enhance the maximum allowable working/operating pressure (MAOP) of the system to 1235 PSIG from the current round about 900 PSIG, such that the capacity of the network could be entirely utilized. In gross, the results depict that the current model is very efficient and provides excellent results in the minimum possible time.Keywords: natural gas, pipeline network, UFG, transmission pack, AGA
Procedia PDF Downloads 953290 Interwoven Realms: The Relationship Between Textiles, Fashion, and Architecture
Authors: Toktam mehrabani
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Textiles, fashion, and architecture, though seemingly disparate fields, share a deep and evolving relationship. This paper explores the intersection of these disciplines, examining how the tactile, structural, and aesthetic qualities of textiles have influenced both fashion and architecture over time. By investigating historical and contemporary examples, this paper seeks to unravel the ways in which textiles and fashion have not only shaped architectural design but have also acted as a bridge between functionality, art, and human experience in the built environment.Textiles have been integral to human culture since the dawn of civilization. Their presence transcends mere functionality, serving as a medium for artistic expression, cultural identity, and social commentary. Fashion, derived from textiles, has long been associated with personal identity and societal trends, while architecture reflects human needs, environmental context, and cultural values. This paper posits that the relationship between textiles, fashion, and architecture is more interconnected than often perceived, with each influencing and inspiring the other across time. Textiles in Architectural Design: From ancient draperies in temples to tapestries in castles, textiles have adorned structures, softening rigid spaces and adding layers of warmth and luxury. Fabric screens and curtains have also served functional purposes, such as controlling light, acoustics, and temperature. Fashion as Architectural Expression: Renaissance and Baroque fashion used exaggerated forms, corsetry, and layers to mirror the grandiosity of architectural styles of the time. Clothing acted as wearable architecture, with structured garments mirroring the strong lines and curves of buildings..Structural Textiles in Architecture: In the 21st century, textiles are no longer just decorative; they have become integral to architectural innovation. Materials like tensile fabrics and smart textiles are used in creating flexible, lightweight structures. Iconic examples include Frei Otto’s work with tensile membranes, seen in the Munich Olympic Stadium.Technological advancements have drastically transformed the relationship between textiles, fashion, and architecture. Digital tools like 3D printing and laser cutting allow designers in both fields to push the limits of form and structure. Smart textiles that react to environmental stimuli are being explored for use in both wearable technology and adaptable architecture, such as facades that change in response to weather conditions. Textiles, fashion, and architecture are inextricably linked through their shared exploration of form, structure, and expression. This interdisciplinary relationship continues to evolve, driven by technological advancements and a growing emphasis on sustainability. As fashion becomes more architectural in its construction and architecture more fluid in its forms, the lines between these disciplines blur, offering new possibilities for creativity and functionality in both wearable and built environments.Keywords: textiles in architecture, fashion and architecture, textile architecture, structural textiles, wearable architecture, architectural fashion
Procedia PDF Downloads 303289 Impact of Fly Ash on Soil Quality in Semi-Arid Region
Authors: Anjuri Srivastava, Akhouri Nishant Bhanu
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Soil is a natural material with a distinctive form. It is regarded to be a natural source of nutrients and minerals for plants. It meets many of our needs through the crops, trees, and inhabited places that have grown on or underneath it. Productive and rich soil plays a crucial role in both its wealth and well-being. If any external substance changes the soil's composition, it directly impacts the plant that was grown in that soil. If the soil is deficient in one or more essential components, fly ash can be utilized as fertilizer by incorporating it into the soil. This can also increase the porosity of the soil. Fly ash has a sufficient concentration of essential components to promote the growth of plants. The high concentration of elements in fly ash, including C, Na, K, Fe, and Zn, increases crop yields. Hazardous compounds harm plant life as soon as they get into the soil. The US Environmental Protection Agency and other regulatory agencies have found it as non-hazardous. By employing fly ash as a potential fertilizer supplement for degraded soils, the problem of disposing of solid waste can be partially handled. Fly ash's rapid growth can slow down mineralization because it contains a higher proportion of harmful heavy metals. The chemical characteristics, inclusion ratio, and composting process of fly ash have a significant impact on the fly ash compost’s potential to improve soil nutrition. Research institutions and regulatory agencies have been thoroughly investigating fly ash for a long time. Guard cells on plant leaves that accumulate fly ash trigger the regulatory system. Fly ash increases both chemical and physical damage at certain humidity levels. The lengthy sowing period is caused by the high levels of fly ash in the soil, which also slows down seedling germination and growth. For the sake of human health, it is crucial to consider the bioaccumulation of dangerous heavy metals and their necessary concentrations in plant tissues and soil.Keywords: soil, fly ash, plant, fertilizer, composts
Procedia PDF Downloads 973288 Mixed Tetravalent Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) Based Vacancy-Ordered Halide Double Perovskites for Enhanced Solar Water Oxidation
Authors: Jigar Shaileshumar Halpati, Aravind Kumar Chandiran
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Vacancy ordered double perovskites (VOPs) have been significantly attracting researchers due to their chemical structure diversity and interesting optoelectronic properties. Some VOPs have been recently reported to be suitable photoelectrodes for photoelectrochemical water-splitting reactions due to their high stability and panchromatic absorption. In this work, we systematically synthesized mixed tetravalent VOPs based on Cs₂RuₘPt₁-ₘX₆ (X = Cl-, Br-) and reported their structural, optical, electrochemical and photoelectrochemical properties. The structural characterization confirms that the mixed tetravalent site intermediates formed their own phases. The parent materials, as well as their intermediates, were found to be stable in ambient conditions for over 1 year and also showed incredible stability in harsh pH media ranging from pH 1 to pH 11. Moreover, these materials showed panchromatic absorption with onset up to 1000 nm depending upon the mixture stoichiometry. The extraordinary stability and excellent absorption properties make them suitable materials for photoelectrochemical water-splitting applications. PEC studies of these series of materials showed a high water oxidation photocurrent of 0.56 mA cm-² for Cs₂Ru₀.₅Pt₀.₅Cl₆. Fundamental investigation from photoelectrochemical reactions revealed that the intrinsic ruthenium-based VOP showed enhanced hole transfer to the electrolyte, while the intrinsic platinum-based VOP showed higher photovoltage. The mix of these end members at the tetravalent site showed a synergic effect of reduced charge transfer resistance from the material to the electrolyte and increased photovoltage, which led to increased PEC performance of the intermediate materials.Keywords: solar water splitting, photo electrochemistry, photo absorbers, material characterization, device characterization, green hydrogen
Procedia PDF Downloads 753287 Determinants of Green Strategy: Analysis Using Probit and Logit Models
Authors: Ayushi Modi, Eliot Bochet-Merand
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This study investigates the structural determinants of green strategies among Small and Medium Enterprises (SMEs) in the European Union and select countries, utilizing data from the Flash Eurobarometer 498 - SMEs, Resource Efficiency, and Green Markets. By applying sequential logit analysis, we explore the drivers behind the adoption and scaling of green actions, such as resource efficiency, waste management, and product innovation, while also examining the provision of green products and services. A key contribution of this research is the novel distinction between the process stage (green actions) and the product stage (green outputs), allowing for a deeper analysis of how green initiatives translate into sustainable business outcomes. Our findings reveal that structural characteristics, such as firm size, sector, and turnover growth, significantly influence the likelihood of both providing green products and implementing comprehensive green actions. Smaller, younger firms in high-impact sectors like construction and industry are more likely to engage in sustainability efforts, particularly when they have a green strategy and a dedicated green workforce. Furthermore, companies serving B2B and B2C clients and experiencing turnover growth are more inclined to offer green products. The study underscores the economic implications of these insights, suggesting that financial flexibility, strategic commitment, and human capital investments are critical for scaling green initiatives. By refining variables and excluding heterogeneous countries, our data management ensures robust results. This research provides novel insights into the distinct roles of process and product stages in sustainability, offering valuable policy recommendations for promoting environmental performance in SMEs.Keywords: green strategy, resource efficiency, SMES, sustainability, product innovation, environmental performance
Procedia PDF Downloads 193286 Seismic Response of Viscoelastic Dampers for Steel Structures
Authors: Ali Khoshraftar, S. A. Hashemi
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This paper is focused on the advantages of Viscoelastic Dampers (VED) to be used as energy-absorbing devices in buildings. The properties of VED are briefly described. The analytical studies of the model structures exhibiting the structural response reduction due to these viscoelastic devices are presented. Computer simulation of the damped response of a multi-storey steel frame structure shows significant reduction in floor displacement levels.Keywords: dampers, seismic evaluation, steel frames, viscoelastic
Procedia PDF Downloads 4843285 Synthesis and Gas Transport Properties of Polynorbornene Dicarboximides Bearing Trifluoromethyl Isomer Moieties
Authors: Jorge A. Cruz-Morales, Joel Vargas, Arlette A. Santiago, Mikhail A. Tlenkopatchev
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In industrial processes such as oil extraction and refining, products are handled or generated in the gas phase, which represents a challenge in terms of treatment and purification. During the past three decades, new scientific findings and technological advances in separation based on the use of membranes have led to simpler and more efficient gas separation processes, optimizing the use of energy and generating less pollution. This work reports the synthesis and ring-opening metathesis polymerization (ROMP) of new structural isomers based on norbornene dicarboximides bearing trifluoromethyl moieties, specifically N-2-trifluoromethylphenyl-exo,endo-norbornene-5,6-dicarboximide (2a) and N-3-trifluoromethylphenyl-exo,endo-norbornene-5,6-dicarboximide (2b), using tricyclohexylphosphine [1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene] ruthenium dichloride (I), bis(tricyclohexylphosphine) benzylidene ruthenium (IV) dichloride (II), and bis(tricyclohexylphosphine) p-fluorophenylvinylidene ruthenium (II) dichloride (III). It was observed that the -CF3 moiety attached at the ortho position of the aromatic ring increases thermal and mechanical properties of the polymer, whereas meta substitution has the opposite effect. A comparative study of gas transportation in membranes, based on these fluorinated polynorbornenes, showed that -CF3 ortho substitution increases permeability of the polymer membrane as a consequence of the increase in both gas solubility and gas diffusion. In contrast, gas permeability coefficients of the meta-substituted polymer membrane are rather similar to those of that which is non-fluorinated; this can be attributed to a lower fractional free volume. The meta-substituted polymer membrane, besides showing the largest permselectivity coefficients of all the isomers studied here, was also found to have one of the largest permselectivity coefficients for separating H2/C3H6 into glassy polynorbornene dicarboximides.Keywords: gas transport membranes, polynorbornene dicarboximide, ROMP, structural isomers
Procedia PDF Downloads 2563284 Empathy and Yoga Philosophy: Both Eastern and Western Concepts
Authors: Jacqueline Jasmine Kumar
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This paper seeks to challenge the predominate Western-centric paradigm concerning empathy by conducting an exploration of its presence within both Western and Eastern philosophical traditions. The primary focus of this inquiry is the examination of the Indian yogic tradition, encompassing the four yogas: bhakti (love/devotion), karma (action), jnāna (knowledge), and rāja (psychic control). Through this examination, it is demonstrated that empathy does not exclusively originate from Western philosophical thought. Rather than superimposing the Western conceptualization of empathy onto the tenets of Indian philosophy, this study endeavours to unearth a distinct array of ideas and concepts within the four yogas, which significantly contribute to our comprehension of empathy as a universally relevant phenomenon. To achieve this objective, an innovative approach is adopted, delving into various facets of empathy, including the propositional, affective/intuitive, perspective-taking, and actionable dimensions. This approach intentionally deviates from conventional Western frameworks, shifting the emphasis towards lived morally as opposed to engagement in abstract theoretical discourse. While it is acknowledged that the explicit term “empathy” may not be overly articulated within the yogic tradition, a scrupulous examination reveals the underlying substance and significance of this phenomenon. Throughout this comparative analysis, the paper aims to lay a robust foundation for the discourse of empathy within the contexts of the human experience. By assimilating insights gleaned from the Indian yogic tradition, it contributes to the expansion of our comprehension of empathy, enabling an exploration of its multifaceted dimensions. Ultimately, this scholarly endeavour facilitates the development of a more comprehensive and inclusive perspective on empathy, transcending cultural boundaries and enriching our collective repository of knowledge.Keywords: Bhakti, Yogic, Jnana, Karma
Procedia PDF Downloads 783283 Day-To-Day Variations in Health Behaviors and Daily Functioning: Two Intensive Longitudinal Studies
Authors: Lavinia Flueckiger, Roselind Lieb, Andrea H. Meyer, Cornelia Witthauer, Jutta Mata
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Objective: Health behaviors tend to show a high variability over time within the same person. However, most existing research can only assess a snapshot of a person’s behavior and not capture this natural daily variability. Two intensive longitudinal studies examine the variability in health behavior over one academic year and their implications for other aspects of daily life such as affect and academic performance. Can already a single day of increased physical activity, snacking, or improved sleep have beneficial effects? Methods: In two intensive longitudinal studies with up to 65 assessment days over an entire academic year, university students (Study 1: N = 292; Study 2: N = 304) reported sleep quality, physical activity, snacking, positive and negative affect, and learning goal achievement. Results: Multilevel structural equation models showed that on days on which participants reported better sleep quality or more physical activity than usual, they also reported increased positive affect, decreased negative affect, and better learning goal achievement. Higher day-to-day snacking was only associated with increased positive affect. Both, increased day-to-day sleep quality and physical activity were indirectly associated with better learning goal achievement through changes in positive and negative affect; results for snacking were mixed. Importantly, day-to-day sleep quality was a stronger predictor for affect and learning goal achievement than physical activity or snacking. Conclusion: One day of better sleep or more physical activity than usual is associated with improved affect and academic performance. These findings have important implications for low-threshold interventions targeting the improvement of daily functioning.Keywords: sleep quality, physical activity, snacking, affect, academic performance, multilevel structural equation model
Procedia PDF Downloads 5763282 The Mechanisms of Peer-Effects in Education: A Frame-Factor Analysis of Instruction
Authors: Pontus Backstrom
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In the educational literature on peer effects, attention has been brought to the fact that the mechanisms creating peer effects are still to a large extent hidden in obscurity. The hypothesis in this study is that the Frame Factor Theory can be used to explain these mechanisms. At heart of the theory is the concept of “time needed” for students to learn a certain curricula unit. The relations between class-aggregated time needed and the actual time available, steers and hinders the actions possible for the teacher. Further, the theory predicts that the timing and pacing of the teachers’ instruction is governed by a “criterion steering group” (CSG), namely the pupils in the 10th-25th percentile of the aptitude distribution in class. The class composition hereby set the possibilities and limitations for instruction, creating peer effects on individual outcomes. To test if the theory can be applied to the issue of peer effects, the study employs multilevel structural equation modelling (M-SEM) on Swedish TIMSS 2015-data (Trends in International Mathematics and Science Study; students N=4090, teachers N=200). Using confirmatory factor analysis (CFA) in the SEM-framework in MPLUS, latent variables are specified according to the theory, such as “limitations of instruction” from TIMSS survey items. The results indicate a good model fit to data of the measurement model. Research is still in progress, but preliminary results from initial M-SEM-models verify a strong relation between the mean level of the CSG and the latent variable of limitations on instruction, a variable which in turn have a great impact on individual students’ test results. Further analysis is required, but so far the analysis indicates a confirmation of the predictions derived from the frame factor theory and reveals that one of the important mechanisms creating peer effects in student outcomes is the effect the class composition has upon the teachers’ instruction in class.Keywords: compositional effects, frame factor theory, peer effects, structural equation modelling
Procedia PDF Downloads 1343281 Role of Spatial Variability in the Service Life Prediction of Reinforced Concrete Bridges Affected by Corrosion
Authors: Omran M. Kenshel, Alan J. O'Connor
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Estimating the service life of Reinforced Concrete (RC) bridge structures located in corrosive marine environments of a great importance to their owners/engineers. Traditionally, bridge owners/engineers relied more on subjective engineering judgment, e.g. visual inspection, in their estimation approach. However, because financial resources are often limited, rational calculation methods of estimation are needed to aid in making reliable and more accurate predictions for the service life of RC structures. This is in order to direct funds to bridges found to be the most critical. Criticality of the structure can be considered either form the Structural Capacity (i.e. Ultimate Limit State) or from Serviceability viewpoint whichever is adopted. This paper considers the service life of the structure only from the Structural Capacity viewpoint. Considering the great variability associated with the parameters involved in the estimation process, the probabilistic approach is most suited. The probabilistic modelling adopted here used Monte Carlo simulation technique to estimate the Reliability (i.e. Probability of Failure) of the structure under consideration. In this paper the authors used their own experimental data for the Correlation Length (CL) for the most important deterioration parameters. The CL is a parameter of the Correlation Function (CF) by which the spatial fluctuation of a certain deterioration parameter is described. The CL data used here were produced by analyzing 45 chloride profiles obtained from a 30 years old RC bridge located in a marine environment. The service life of the structure were predicted in terms of the load carrying capacity of an RC bridge beam girder. The analysis showed that the influence of SV is only evident if the reliability of the structure is governed by the Flexure failure rather than by the Shear failure.Keywords: Chloride-induced corrosion, Monte-Carlo simulation, reinforced concrete, spatial variability
Procedia PDF Downloads 4733280 Pregnant Women and Mothers in Prison, Mother and Baby Units and Mental Health
Authors: Rachel Dolan
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Background: Over two thirds of women in prison in England are mothers, and estimates suggest between 100 and 200 women per year give birth during imprisonment. There are currently six mother and baby units (MBUs) in prisons in England which admit women and babies up to the age of 18 months. Although there are only 65 places available, and despite positive impacts, they are rarely full. Mental illness may influence the number of admissions, as may interpretation of admission criteria. They are the only current alternative to separation for imprisoned mothers and their babies. Aims: To identify the factors that affect the decision to apply for/be offered a place in a prison MBU; to measure the impact of a placement upon maternal mental health and wellbeing; To measure the Initial outcomes for mother and child. Methods: A mixed methods approach - 100 pregnant women in English prisons are currently being recruited from prisons in England. Quantitative measures will establish the prevalence of mental disorder, personality disorder, substance misuse and quality of life. Qualitative interviews will document the experiences of pregnancy and motherhood in prison. Results: Preliminary quantitative findings suggest the most prevalent mental disorders are anxiety and depression and approximately half the participants meet the criteria for one or more personality disorders. The majority of participants to date have been offered a place in a prison MBU, and those in a prison with an MBU prior to applying are more likely to be admitted. Those with a previous history of childcare issues, who are known to social services are less likely to be offered a place. Qualitative findings suggest that many women are often hungry and uncomfortable during pregnancy, many have feelings of guilt about having a child in prison and that feelings of anxiety and worry are exacerbated by lack of information.Keywords: mothers, prison, mother and baby units, mental health
Procedia PDF Downloads 2863279 Ointment of Rosella Flower Petals Extract (Hibiscus sabdariffa): Pharmaceutical Preparations Formulation Development of Herbs for Antibacterial S. aureus
Authors: Muslihatus Syarifah
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Introduction: Rosella flower petals can be used as an antibacterial because it contains alkaloids, flavonoids, phenolics, and terpenoids) for the . Bacteria activity is S. aureus can cause skin infections and pengobatanya most appropriate use of topical preparations. Ointment is a topical preparation comprising the active substance and ointment base. Not all the base matches the active substances or any type of disease. In this study using flavonoid active substances contained in rosella flower petals (Hibiscus sabdariffa) to be made ointment by testing a variety of different bases in order to obtain a suitable basis for the formulation of ointment extract rosella flower petals. Methods: Experimental research with research methods Post test control group design using the ointment is hydrocarbon sample, absorption, leached water and dissolved water. Then tested for bacteria S. aureus with different concentrations of 1%, 2%, 4%, 8%, 16, 32%. Data were analyzed using One Way ANOVA followed by Post Hoc test. Results: Ointment with a hydrocarbon base, absorption, leached water and dissolved water having no change in physical properties during storage. Base affect the physical properties of an ointment that adhesion, dispersive power and pH. The physical properties of the ointment with different concentrations produce different physical properties including adhesion, dispersive power and pH. The higher the concentration the higher dispersive power, but the smaller the adhesion and pH. Conclusion: Differences bases, storage time, the concentration of the extract can affect the physical properties of the ointment. Concentration of extract in the ointment extract rosella flower petals is 32%.Keywords: rosella, physical properties, ointments, antibacterial
Procedia PDF Downloads 3713278 Electrical Investigations of Polyaniline/Graphitic Carbon Nitride Composites Using Broadband Dielectric Spectroscopy
Authors: M. A. Moussa, M. H. Abdel Rehim, G.M. Turky
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Polyaniline composites with carbon nitride, to overcome compatibility restriction with graphene, were prepared with the solution method. FTIR and Uv-vis spectra were used for structural conformation. While XRD and XPS confirmed the structures in addition to estimation of nitrogen atom surroundings, the pore sizes and the active surface area were determined from BET adsorption isotherm. The electrical and dielectric parameters were measured and calculated with BDS .Keywords: carbon nitride, dynamic relaxation, electrical conductivity, polyaniline
Procedia PDF Downloads 1423277 Building Successful Organizational Business Communication and Its Impact on Business Performance: An Intra- and Inter-Organizational Perspective
Authors: Aynura Valiyeva, Basil John Thomas
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Intra-firm communication is critical for building synergy amongst internal business units of a firm, where employees from various functional departments and ranks incorporate their decision-making, understanding of organizational objectives, as well as common norms and culture for better organizational effectiveness. This study builds on and assesses a framework of the causes and consequences of effective communication in business interactions between customer and supplier firms, and the path for efficient communication within a firm. The proposed study’s structural equation modeling (SEM) analysis based on 352 sample responses collected from firm representatives at different job positions ranging from marketing to logistics operations, reveals that, in the frame of reference of intra-organizational communication, organization characteristics and shared values, top management support and style of leadership, as well as information technology, are all significantly related to communication effectiveness. Furthermore, the frequency and variety of interactions enhance the outcome of communication, that improves a company’s performance. The results reveal that cultural factors are significantly related to communication effectiveness, as well as the shared beliefs and goals. In terms of organizational factors, leadership style, top management support and information technology are significant determinants of effective communication. Among the contextual factors, interaction frequency and diversity are found to be priority factors. This study also tests the relationship between supplier and supplier firm performance in the context of communication effectiveness, and finds that they are closely related, when trust and commitment is built between business partners. When firms do business in other multicultural contexts, language and shared values with destination country must be considered significant elements of communication process.Keywords: business performance, intra-firm communication, inter-firm communication, structural equation modeling
Procedia PDF Downloads 973276 Optical and Structural Characterization of Rare Earth Doped Phosphate Glasses
Authors: Zélia Maria Da Costa Ludwig, Maria José Valenzuela Bell, Geraldo Henriques Da Silva, Thales Alves Faraco, Victor Rocha Da Silva, Daniel Rotmeister Teixeira, Vírgilio De Carvalho Dos Anjos, Valdemir Ludwig
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Advances in telecommunications grow with the development of optical amplifiers based on rare earth ions. The focus has been concentrated in silicate glasses although their amplified spontaneous emission is limited to a few tens of nanometers (~ 40nm). Recently, phosphate glasses have received great attention due to their potential application in optical data transmission, detection, sensors and laser detector, waveguide and optical fibers, besides its excellent physical properties such as high thermal expansion coefficients and low melting temperature. Compared with the silica glasses, phosphate glasses provide different optical properties such as, large transmission window of infrared, and good density. Research on the improvement of physical and chemical durability of phosphate glass by addition of heavy metals oxides in P2O5 has been performed. The addition of Na2O further improves the solubility of rare earths, while increasing the Al2O3 links in the P2O5 tetrahedral results in increased durability and aqueous transition temperature and a decrease of the coefficient of thermal expansion. This work describes the structural and spectroscopic characterization of a phosphate glass matrix doped with different Er (Erbium) concentrations. The phosphate glasses containing Er3+ ions have been prepared by melt technique. A study of the optical absorption, luminescence and lifetime was conducted in order to characterize the infrared emission of Er3+ ions at 1540 nm, due to the radiative transition 4I13/2 → 4I15/2. Our results indicate that the present glass is a quite good matrix for Er3+ ions, and the quantum efficiency of the 1540 nm emission was high. A quenching mechanism for the mentioned luminescence was not observed up to 2,0 mol% of Er concentration. The Judd-Ofelt parameters, radiative lifetime and quantum efficiency have been determined in order to evaluate the potential of Er3+ ions in new phosphate glass. The parameters follow the trend as Ω2 > Ω4 > Ω6. It is well known that the parameter Ω2 is an indication of the dominant covalent nature and/or structural changes in the vicinity of the ion (short range effects), while Ω4 and Ω6 intensity parameters are long range parameters that can be related to the bulk properties such as viscosity and rigidity of the glass. From the PL measurements, no red or green upconversion was measured when pumping the samples with laser excitation at 980 nm. As future prospects: Synthesize this glass system with silver in order to determine the influence of silver nanoparticles on the Er3+ ions.Keywords: phosphate glass, erbium, luminescence, glass system
Procedia PDF Downloads 5103275 Temperature-Based Detection of Initial Yielding Point in Loading of Tensile Specimens Made of Structural Steel
Authors: Aqsa Jamil, Tamura Hiroshi, Katsuchi Hiroshi, Wang Jiaqi
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The yield point represents the upper limit of forces which can be applied to a specimen without causing any permanent deformation. After yielding, the behavior of the specimen suddenly changes, including the possibility of cracking or buckling. So, the accumulation of damage or type of fracture changes depending on this condition. As it is difficult to accurately detect yield points of the several stress concentration points in structural steel specimens, an effort has been made in this research work to develop a convenient technique using thermography (temperature-based detection) during tensile tests for the precise detection of yield point initiation. To verify the applicability of thermography camera, tests were conducted under different loading conditions and measuring the deformation by installing various strain gauges and monitoring the surface temperature with the help of a thermography camera. The yield point of specimens was estimated with the help of temperature dip, which occurs due to the thermoelastic effect during the plastic deformation. The scattering of the data has been checked by performing a repeatability analysis. The effects of temperature imperfection and light source have been checked by carrying out the tests at daytime as well as midnight and by calculating the signal to noise ratio (SNR) of the noised data from the infrared thermography camera, it can be concluded that the camera is independent of testing time and the presence of a visible light source. Furthermore, a fully coupled thermal-stress analysis has been performed by using Abaqus/Standard exact implementation technique to validate the temperature profiles obtained from the thermography camera and to check the feasibility of numerical simulation for the prediction of results extracted with the help of the thermographic technique.Keywords: signal to noise ratio, thermoelastic effect, thermography, yield point
Procedia PDF Downloads 1073274 Internal Stresses and Structural Evolutions in Zr Alloys during Oxidation at High Temperature and Subsequent Cooling
Authors: Raphaelle Guillou, Matthieu Le Saux, Jean-Christophe Brachet, Thomas Guilbert, Elodie Rouesne, Denis Menut, Caroline Toffolon-Masclet, Dominique Thiaudiere
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In some hypothetical accidental situations, such as during a Loss Of Coolant Accident (LOCA) in pressurized water reactors, fuel cladding tubes made of zirconium alloys can be exposed for a few minutes to steam at High Temperature (HT up to 1200°C) before being cooled and then quenched in water. Under LOCA-like conditions, the cladding undergoes a number of metallurgical changes (phase transformations, oxygen diffusion and growth of an oxide layer...) and is consequently submitted to internal stresses whose state evolves during the transient. These stresses can have an effect on the oxide structure and the oxidation kinetics of the material. They evolve during cooling, owing to differences between the thermal expansion coefficients of the various phases and phase transformations of the metal and the oxide. These stresses may result in the failure of the cladding during quenching, once the material is embrittled by oxidation. In order to progress in the evaluation of these internal stresses, X-ray diffraction experiments were performed in-situ under synchrotron radiation during HT oxidation and subsequent cooling on Zircaloy-4 sheet samples. First, structural evolutions, such as phase transformations, have been studied as a function of temperature for both the oxide layer and the metallic substrate. Then, internal stresses generated within the material oxidized at temperatures between 700 and 900°C have been evaluated thanks to the 2θ diffraction peak position shift measured during the in-situ experiments. Electron backscatter diffraction (EBSD) analysis was performed on the samples after cooling in order to characterize their crystallographic texture. Furthermore, macroscopic strains induced by oxidation in the conditions investigated during the in-situ X-ray diffraction experiments were measured in-situ in a dilatometer.Keywords: APRP, stains measurements, synchrotron diffraction, zirconium allows
Procedia PDF Downloads 3093273 Probiotic Antibacterial Test of Pediococcus pentosaceus Isolated from Dadih in Inhibiting Periodontitis Bacteria: In Vitro Study on Bacteria Aggregatibacter actinomycetemcomitans
Authors: Nurlaili Syafar Wulan, Almurdi, Suprianto Kosno
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Introduction: Periodontitis defined as an inflammatory disease of teeth supporting tissue with irritation of specific pathogens as the main aetiology. Periodontitis can be cured by giving medical action accompanied by administration of an antibiotic, but the use of antibiotic has a side effect that can cause bacterial resistance. This side effect can be corrected by probiotic, which has antibiotic-like substance but do not have bacterial resistance effect; it makes probiotic became a promising future periodontitis medication. West Sumatran people has their own typical traditional food product made from fermented buffalo’s milk called dadih, and it contained probiotics. Objectives: The aim of this study was to determine the ability of probiotic Pediococcus pentosaceus isolated from dadih in inhibiting the growth of bacteria Aggregatibacter actinomycetemcomitans. Material and Method: This was a true experimental study with post-test and control group design. This study was conducted on 36 samples of 2 treatment groups, the test group with probiotic Pediococcus pentosacesus isolated from dadih and the negative control group with sterile aquadest. The antibacterial effect was tested using the Kirby-Bauer disk diffusion method and calculated by measuring the zone of inhibition on MHA around paper disk using a sliding caliper with 0.5 mm accuracy. Result: The result of bivariate analysis using Independent t-test was p=0.00 where p < 0.05 means that there is a significant difference between the tested group and negative control group. Conclusion: Probiotic Pediococcus pentosaceus isolated from dadih are able to inhibit the growth of Aggregatibacter actinomycetemcomitans.Keywords: aggregatibacter actinomycetemcomitans, antibacterial activities, periodontitis, probiotic Pediococcus pentosaceus
Procedia PDF Downloads 1343272 Structural Properties, Natural Bond Orbital, Theory Functional Calculations (DFT), and Energies for Fluorous Compounds: C13H12F7ClN2O
Authors: Shahriar Ghammamy, Masomeh Shahsavary
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In this paper, the optimized geometries and frequencies of the stationary point and the minimum energy paths of C13H12F7ClN2O are calculated by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated that some selected bond length and bond angles values for the C13H12F7ClN2O.Keywords: C13H12F7ClN2O, vatural bond orbital, fluorous compounds, functional calculations
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