Search results for: microencapsulated phase change materials
11884 A Study on ZnO Nanoparticles Properties: An Integration of Rietveld Method and First-Principles Calculation
Authors: Kausar Harun, Ahmad Azmin Mohamad
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Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles
Procedia PDF Downloads 30311883 Trafficking of Women in International Migration: Issues and Major Challenges in Present Scenario
Authors: Neha Singh, Anshuman Rana
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Gender-Based Violence (GBV) is a violation of human rights and a form of discrimination which reinforces inequalities between men and women. It is defined as violence that is directed against a person on the basis of gender. There has been increased attention to human trafficking that has exposed to illegal migration. Trafficking is complex, but it generally takes place due to “push and pull factors”. India is both a source as well as a transit country for trafficking. Women are bought and sold with impunity and trafficked to other countries. They are forced to work as sex worker, forced labour and other practices of slavery. Trafficked victims often suffer from serious abuse and physical exhaustion. The effects of violence on women vary widely. GBV typically has physical, psychological and social effects. They face unwanted pregnancies, miscarriages, high rate of infertility and sexually transmitted disease. The social exclusion of women is so great that it constitutes a new form of apartheid. Women are considered as lesser value and deprived of their fundamental rights. Violation of human rights and fundamental freedom such as- trafficking of women, girls for sex trade, forced prostitution and sex tourism have become the focus of internationally organized crimes. My paper will analyse the impact of violence on society as well. Law alone cannot change the scenario and problem of gender-biasness. The whole issue of gender violence needs social awakening and change in attitude of masses, so that due respect and equal status is given to women.Keywords: gender-based violence, trafficking, migration, violence impact, social exclusion, law enforcement
Procedia PDF Downloads 27911882 E-learning: An Effective Approach for Enhancing Social and Behavior Change Communication Capacity in Bangladesh
Authors: Mohammad K. Abedin, Mohammad Shahjahan, Zeenat Sultana, Tawfique Jahan, Jesmin Akter
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To strengthen social and behavior change communication (SBCC) capacity of Ministry of Health and Family Welfare (MoHFW) of the Government of Bangladesh, BCCP/BKMI developed two eLearning courses providing opportunities for professional development of SBCC Program Managers who have no access to training or refreshers training. The two eLearning courses – Message and Material Development (MMD) and Monitoring and Evaluation (MandE) of SBCC programs – went online in September 2015, where all users could register their participation so results could be monitored. Methodology: To assess the uses of these courses a randomly selected sample was collected to run a pre and post-test analyses and a phone survey were conducted. Systematic random sampling was used to select a sample of 75 MandE and 25 MMD course participants from a sampling frame of 179 and 51 respectively. Results: As of September 2016, more than 179 learners have completed the MandE course, and 49 learners have completed the MMD course. The users of these courses are program managers, university faculty members, and students. Encouraging results were revealed from the analysis of pre and post-test scores and a phone survey three months after course completion. Test scores suggested a substantial increase in knowledge. The pre-test scores findings suggested that about 19% learners scored high on the MandE. The post-test scores finding indicated a high score (92%) of the sample across 4 modules of MandE. For MMD course in pre-test scoring, 30% of the learners scored high, and 100% scored high at the post-test. It was found that all the learners in the phone survey have discussed the courses. Most of the sharing occurred with colleagues and friends, usually through face to face (70%) interaction. The learners reported that they did recommend the two courses to concerned people. About 67% MandE and 76% MMD learners stated that the concepts that they had to learn during the course were put into practice in their work settings. The respondents for both MandE and MMD courses have provided a valuable set of suggestions that would further strengthen the courses. Conclusions: The study showed that the initiative offered ample opportunities to build capacity in various ways in which the eLearning courses were used. It also highlighted the importance of scaling up these efforts to further strengthen the outcomes.Keywords: e-learning course, message & material development, monitoring & evaluation, social and behavior change communication
Procedia PDF Downloads 28911881 Clinical Application of Measurement of Eyeball Movement for Diagnose of Autism
Authors: Ippei Torii, Kaoruko Ohtani, Takahito Niwa, Naohiro Ishii
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This paper shows developing an objectivity index using the measurement of subtle eyeball movement to diagnose autism. The developmentally disabled assessment varies, and the diagnosis depends on the subjective judgment of professionals. Therefore, a supplementary inspection method that will enable anyone to obtain the same quantitative judgment is needed. The diagnosis are made based on a comparison of the time of gazing an object in the conventional autistic study, but the results do not match. First, we divided the pupil into four parts from the center using measurements of subtle eyeball movement and comparing the number of pixels in the overlapping parts based on an afterimage. Then we developed the objective evaluation indicator to judge non-autistic and autistic people more clearly than conventional methods by analyzing the differences of subtle eyeball movements between the right and left eyes. Even when a person gazes at one point and his/her eyeballs always stay fixed at that point, their eyes perform subtle fixating movements (ie. tremors, drifting, microsaccades) to keep the retinal image clear. Particularly, the microsaccades link with nerves and reflect the mechanism that process the sight in a brain. We converted the differences between these movements into numbers. The process of the conversion is as followed: 1) Select the pixel indicating the subject's pupil from images of captured frames. 2) Set up a reference image, known as an afterimage, from the pixel indicating the subject's pupil. 3) Divide the pupil of the subject into four from the center in the acquired frame image. 4) Select the pixel in each divided part and count the number of the pixels of the overlapping part with the present pixel based on the afterimage. 5) Process the images with precision in 24 - 30fps from a camera and convert the amount of change in the pixels of the subtle movements of the right and left eyeballs in to numbers. The difference in the area of the amount of change occurs by measuring the difference between the afterimage in consecutive frames and the present frame. We set the amount of change to the quantity of the subtle eyeball movements. This method made it possible to detect a change of the eyeball vibration in numerical value. By comparing the numerical value between the right and left eyes, we found that there is a difference in how much they move. We compared the difference in these movements between non-autistc and autistic people and analyzed the result. Our research subjects consists of 8 children and 10 adults with autism, and 6 children and 18 adults with no disability. We measured the values through pasuit movements and fixations. We converted the difference in subtle movements between the right and left eyes into a graph and define it in multidimensional measure. Then we set the identification border with density function of the distribution, cumulative frequency function, and ROC curve. With this, we established an objective index to determine autism, normal, false positive, and false negative.Keywords: subtle eyeball movement, autism, microsaccade, pursuit eye movements, ROC curve
Procedia PDF Downloads 27411880 The Effect of Chisel Edge on Drilling-Induced Delamination
Authors: Parnian Kianfar, Navid Zarif Karimi, Giangiacomo Minak
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Drilling is one of the most important machining operations as numerous holes must be drilled in order to install mechanical fasteners for assembly in composite structures. Delamination is a major problem associated with the drilling of fiber reinforced composite materials, which degrades the mechanical properties of these materials. In drilling, delamination is initiated when the drilling force exceeds a threshold value, particularly at the critical entry and exit locations of the drill bit. The chisel edge of twist drill is a major contributor to the thrust force which is the primary cause of delamination. The main objective of this paper is to study the effect of chisel edge and pilot hole on thrust force and delamination during drilling of glass fiber reinforced composites. For this purpose, two sets of experiments, with and without pilot hole, were conducted with different drilling conditions. The results show a great reduction in the thrust force when a pilot hole is present which removes the chisel edge contribution.Keywords: composites, chisel edge, drilling, delamination
Procedia PDF Downloads 43211879 Synthesis and Characterization of a Type Oxide Ca1-x Srx MnO3
Authors: A. Guemache, M. Omari
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Oxides with formula Ca1-xSrx MnO3(0≤x≤0.2) were synthesized using co precipitation method. The identification of the obtained phase was carried out using infrared spectroscopy and x-ray diffraction. Thermogravimetric and differential analysis was permitted to characterize different transformations of precursors which take place during one heating cycle. The study of electrochemical behavior was carried out by cyclic voltammetry and impedance spectroscopy. The obtained results show that apparent catalytic activity improved when increasing the concentration of strontium. Anodic current densities varies from 1.3 to 5.9 mA/cm2 at the rate scan of 20 mV.s-1 and a potential 0.8 V for oxides with composition x=0 to 0.2.Keywords: oxide, co-precipitation, thermal analysis, electrochemical properties
Procedia PDF Downloads 35411878 Carbon Capture and Storage Using Porous-Based Aerogel Materials
Authors: Rima Alfaraj, Abeer Alarawi, Murtadha AlTammar
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The global energy landscape heavily relies on the oil and gas industry, which faces the critical challenge of reducing its carbon footprint. To address this issue, the integration of advanced materials like aerogels has emerged as a promising solution to enhance sustainability and environmental performance within the industry. This study thoroughly examines the application of aerogel-based technologies in the oil and gas sector, focusing particularly on their role in carbon capture and storage (CCS) initiatives. Aerogels, known for their exceptional properties, such as high surface area, low density, and customizable pore structure, have garnered attention for their potential in various CCS strategies. The review delves into various fabrication techniques utilized in producing aerogel materials, including sol-gel, supercritical drying, and freeze-drying methods, to assess their suitability for specific industry applications. Beyond fabrication, the practicality of aerogel materials in critical areas such as flow assurance, enhanced oil recovery, and thermal insulation is explored. The analysis spans a wide range of applications, from potential use in pipelines and equipment to subsea installations, offering valuable insights into the real-world implementation of aerogels in the oil and gas sector. The paper also investigates the adsorption and storage capabilities of aerogel-based sorbents, showcasing their effectiveness in capturing and storing carbon dioxide (CO₂) molecules. Optimization of pore size distribution and surface chemistry is examined to enhance the affinity and selectivity of aerogels towards CO₂, thereby improving the efficiency and capacity of CCS systems. Additionally, the study explores the potential of aerogel-based membranes for separating and purifying CO₂ from oil and gas streams, emphasizing their role in the carbon capture and utilization (CCU) value chain in the industry. Emerging trends and future perspectives in integrating aerogel-based technologies within the oil and gas sector are also discussed, including the development of hybrid aerogel composites and advanced functional components to further enhance material performance and versatility. By synthesizing the latest advancements and future directions in aerogel used for CCS applications in the oil and gas industry, this review offers a comprehensive understanding of how these innovative materials can aid in transitioning towards a more sustainable and environmentally conscious energy landscape. The insights provided can assist in strategic decision-making, drive technology development, and foster collaborations among academia, industry, and policymakers to promote the widespread adoption of aerogel-based solutions in the oil and gas sector.Keywords: CCS, porous, carbon capture, oil and gas, sustainability
Procedia PDF Downloads 2611877 Preliminary Analysis on Land Use-Land Cover Assessment of Post-Earthquake Geohazard: A Case Study in Kundasang, Sabah
Authors: Nur Afiqah Mohd Kamal, Khamarrul Azahari Razak
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The earthquake aftermath has become a major concern, especially in high seismicity region. In Kundasang, Sabah, the earthquake on 5th June 2015 resulted in several catastrophes; landslides, rockfalls, mudflows and major slopes affected regardless of the series of the aftershocks. Certainly, the consequences of earthquake generate and induce the episodic disaster, not only life-threatening but it also affects infrastructure and economic development. Therefore, a need for investigating the change in land use and land cover (LULC) of post-earthquake geohazard is essential for identifying the extent of disastrous effects towards the development in Kundasang. With the advancement of remote sensing technology, post-earthquake geohazards (landslides, mudflows, rockfalls, debris flows) assessment can be evaluated by the employment of object-based image analysis in investigating the LULC change which consists of settlements, public infrastructure and vegetation cover. Therefore, this paper discusses the preliminary results on post-earthquakes geohazards distribution in Kundasang and evaluates the LULC classification effect upon the occurrences of geohazards event. The result of this preliminary analysis will provide an overview to determine the extent of geohazard impact on LULC. This research also provides beneficial input to the local authority in Kundasang about the risk of future structural development on the geohazard area.Keywords: geohazard, land use land cover, object-based image analysis, remote sensing
Procedia PDF Downloads 23811876 Qualitative Evaluation of the Morris Collection Conservation Project at the Sainsbury Centre of Visual Arts in the Context of Agile, Lean and Hybrid Project Management Approaches
Authors: Maria Ledinskaya
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This paper examines the Morris Collection Conservation Project at the Sainsbury Centre for Visual Arts in the context of Agile, Lean, and Hybrid project management. It is part case study and part literature review. To date, relatively little has been written about non-traditional project management approaches in heritage conservation. This paper seeks to introduce Agile, Lean, and Hybrid project management concepts from business, software development, and manufacturing fields to museum conservation, by referencing their practical application on a recent museum-based conservation project. The Morris Collection Conservation Project was carried out in 2019-2021 in Norwich, UK, and concerned the remedial conservation of around 150 Abstract Constructivist artworks bequeathed to the Sainsbury Centre for Visual Arts by private collectors Michael and Joyce Morris. The first part introduces the chronological timeline and key elements of the project. It describes a medium-size conservation project of moderate complexity, which was planned and delivered in an environment with multiple known unknowns – unresearched collection, unknown condition and materials, unconfirmed budget. The project was also impacted by the unknown unknowns of the COVID-19 pandemic, such as indeterminate lockdowns, and the need to accommodate social distancing and remote communications. The author, a staff conservator at the Sainsbury Centre who acted as project manager on the Morris Collection Conservation Project, presents an incremental, iterative, and value-based approach to managing a conservation project in an uncertain environment. Subsequent sections examine the project from the point of view of Traditional, Agile, Lean, and Hybrid project management. The author argues that most academic writing on project management in conservation has focussed on a Traditional plan-driven approach – also known as Waterfall project management – which has significant drawbacks in today’s museum environment, due to its over-reliance on prediction-based planning and its low tolerance to change. In the last 20 years, alternative Agile, Lean and Hybrid approaches to project management have been widely adopted in software development, manufacturing, and other industries, although their recognition in the museum sector has been slow. Using examples from the Morris Collection Conservation Project, the author introduces key principles and tools of Agile, Lean, and Hybrid project management and presents a series of arguments on the effectiveness of these alternative methodologies in museum conservation, as well as the ethical and practical challenges to their implementation. These project management approaches are discussed in the context of consequentialist, relativist, and utilitarian developments in contemporary conservation ethics, particularly with respect to change management, bespoke ethics, shared decision-making, and value-based cost-benefit conservation strategy. The author concludes that the Morris Collection Conservation Project had multiple Agile and Lean features which were instrumental to the successful delivery of the project. These key features are identified as distributed decision making, a co-located cross-disciplinary team, servant leadership, focus on value-added work, flexible planning done in shorter sprint cycles, light documentation, and emphasis on reducing procedural, financial, and logistical waste. Overall, the author’s findings point largely in favour of a Hybrid model which combines traditional and alternative project processes and tools to suit the specific needs of the project.Keywords: project management, conservation, waterfall, agile, lean, hybrid
Procedia PDF Downloads 9211875 In situ One-Step Synthesis of Graphene Quantum Dots-Metal Free and Zinc Phthalocyanines Conjugates: Investigation of Photophysicochemical Properties
Authors: G. Fomo, O. J. Achadu, T. Nyokong
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Nanoconjugates of graphene quantum dots (GQDs) and 4-(tetrakis-5-(trifluoromethyl)-2-mercaptopyridinephthalocyanine (H₂Pc(OPyF₃)₄) or 4-(tetrakis-5-(trifluoromethyl)-2-mercaptopyridinephthalocyaninato) zinc (II) (ZnPc(OPyF₃)₄) were synthesized via a novel in situ one-step route. The bottom-up approach for the prepared conjugates could ensure the intercalation of the phthalocyanines (Pcs) directly onto the edges or surface of the GQDs and or non-covalent coordination using the π-electron systems of both materials. The as-synthesized GQDs and their Pcs conjugates were characterized using different spectroscopic techniques and their photophysicochemical properties evaluated. The singlet oxygen quantum yields of the Pcs in the presence of GQDs were enhanced due to Förster resonance energy transfer (FRET) occurrence within the conjugated hybrids. Hence, these nanoconjugates are potential materials for photodynamic therapy (PDT) and photocatalysis applications.Keywords: graphene quantum dots, metal free fluorinated phthalocyanine, zinc fluorinated phthalocyanine, photophysicochemical properties
Procedia PDF Downloads 17711874 A Pilot Study to Investigate the Use of Machine Translation Post-Editing Training for Foreign Language Learning
Authors: Hong Zhang
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The main purpose of this study is to show that machine translation (MT) post-editing (PE) training can help our Chinese students learn Spanish as a second language. Our hypothesis is that they might make better use of it by learning PE skills specific for foreign language learning. We have developed PE training materials based on the data collected in a previous study. Training material included the special error types of the output of MT and the error types that our Chinese students studying Spanish could not detect in the experiment last year. This year we performed a pilot study in order to evaluate the PE training materials effectiveness and to what extent PE training helps Chinese students who study the Spanish language. We used screen recording to record these moments and made note of every action done by the students. Participants were speakers of Chinese with intermediate knowledge of Spanish. They were divided into two groups: Group A performed PE training and Group B did not. We prepared a Chinese text for both groups, and participants translated it by themselves (human translation), and then used Google Translate to translate the text and asked them to post-edit the raw MT output. Comparing the results of PE test, Group A could identify and correct the errors faster than Group B students, Group A did especially better in omission, word order, part of speech, terminology, mistranslation, official names, and formal register. From the results of this study, we can see that PE training can help Chinese students learn Spanish as a second language. In the future, we could focus on the students’ struggles during their Spanish studies and complete the PE training materials to teach Chinese students learning Spanish with machine translation.Keywords: machine translation, post-editing, post-editing training, Chinese, Spanish, foreign language learning
Procedia PDF Downloads 14011873 Enhancement of Learning Style in Kolej Poly-Tech MARA (KPTM) via Mobile EEF Learning System (MEEFLS)
Authors: M. E. Marwan, A. R. Madar, N. Fuad
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Mobile communication provides access to the outside world without borders everywhere and at any time. The learning method that related to mobile communication technology is known as mobile learning (M-learning). It is a method that communicates learning materials with mobile device technology. The purpose of this method is to increase the interest in learning among students and assist them in obtaining learning materials at Kolej Poly-Tech MARA (KPTM) in order to improve the student’s performance in their study and to encourage educators to diversify the teaching practices. This paper discusses the student’s awareness for enhancement of learning style using mobile technologies and their readiness to apply the elements of mobile learning in learning to improve performance and interest in learning among students. An application called Mobile EEF Learning System (MEEFLS) has been developed as a tool to be used as a pilot test in KPTM.Keywords: awareness, mobile learning, MEEFLS, teaching and learning, readiness
Procedia PDF Downloads 37011872 Energy Efficient Retrofitting and Optimization of Dual Mixed Refrigerant Natural Gas Liquefaction Process
Authors: Muhammad Abdul Qyyum, Kinza Qadeer, Moonyong Lee
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Globally, liquefied natural gas (LNG) has drawn interest as a green energy source in comparison with other fossil fuels, mainly because of its ease of transport and low carbon dioxide emissions. It is expected that demand for LNG will grow steadily over the next few decades. In addition, because the demand for clean energy is increasing, LNG production facilities are expanding into new natural gas reserves across the globe. However, LNG production is an energy and cost intensive process because of the huge power requirements for compression and refrigeration. Therefore, one of the major challenges in the LNG industry is to improve the energy efficiency of existing LNG processes through economic and ecological strategies. The advancement in expansion devices such as two-phase cryogenic expander (TPE) and cryogenic hydraulic turbine (HT) were exploited for energy and cost benefits in natural gas liquefaction. Retrofitting the conventional Joule–Thompson (JT) valve with TPE and HT have the potential to improve the energy efficiency of LNG processes. This research investigated the potential feasibility of the retrofitting of a dual mixed refrigerant (DMR) process by replacing the isenthalpic expansion with isentropic expansion corresponding to energy efficient LNG production. To fully take the potential benefit of the proposed process retrofitting, the proposed DMR schemes were optimized by using a Coggins optimization approach, which was implemented in Microsoft Visual Studio (MVS) environment and linked to the rigorous HYSYS® model. The results showed that the required energy of the proposed isentropic expansion based DMR process could be saved up to 26.5% in comparison with the conventional isenthalpic based DMR process using the JT valves. Utilization of the recovered energy into boosting the natural gas feed pressure could further improve the energy efficiency of the LNG process up to 34% as compared to the base case. This work will help the process engineers to overcome the challenges relating to energy efficiency and safety concerns of LNG processes. Furthermore, the proposed retrofitting scheme can also be implemented to improve the energy efficiency of other isenthalpic expansion based energy intensive cryogenic processes.Keywords: cryogenic liquid turbine, Coggins optimization, dual mixed refrigerant, energy efficient LNG process, two-phase expander
Procedia PDF Downloads 14111871 Design of Low Power FSK Receiver
Authors: M. Aeysha Parvin, J. Asha, J. Jenifer
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This letter presents a novel frequency-shift keying(FSK) receiver using PLL-based FSK demodulator, thereby achieving high sensitivity and low power consumption. The proposed receiver comprises a power amplifier, mixer, 3-stage ring oscillator, PLL based demodulator. Moreover, the proposed receiver is fabricated using 0.12µm CMOS process and consumes 0.7Mw. Measurement results demonstrate that the proposed receiver has a sensitivity of -93dbm with 1Mbps data rate in receiving a 2.4 GHz FSK signal.Keywords: CMOS FSK receiver, phase locked loop (PLL), 3-stage ring oscillator, FSK signal
Procedia PDF Downloads 48811870 Study on the Efficiency of Some Antioxidants on Reduction of Maillard Reaction in Low Lactose Milk
Authors: Farnaz Alaeimoghadam, Farzad Alaeimoghadam
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In low-lactose milk, due to lactose hydrolysis and its conversion to monosaccharides like glucose and galactose, the Maillard reaction (non-enzymatic browning) occurs more readily compared to non-hydrolyzed milk. This reaction incurs off-flavor and dark color, as well as a decrease in the nutritional value of milk. The target of this research was to evaluate the effect of natural antioxidants in diminishing the browning in low-lactose milk. In this research, three antioxidants, namely ascorbic acid, gallic acid, and pantothenic acid in the concentration range of 0-1 mM/L, either in combination with each other or separately, were added to low-lactose milk. After heat treatment (120 0C for 3 min.), milk samples incubated at 55 0C for one day and then stored at 4 0C for 9 days. Quality indices, including total phenol content, antioxidant activity, color indices, and sensory characters, were measured during intervals of 0, 2, 5, 7, and 9 days. Results of this research showed that the effect of storage time and adding antioxidants were significant on pH, antioxidant activity, total phenolic compounds either before or after heating, index L*, color change, and sensational characteristics (p < 0.05); however, acidity, a* and b* indices, chroma, and hue angle showed no significant changes (p > 0.05). The findings showed that the simultaneous application of gallic acid and ascorbic in the diminishing of non-enzymatic browning and color change, increasing pH, longevity, and antioxidant activity after heat treatment, and augmenting phenolic compounds before heat treatment was better than that of pantothenic acid.Keywords: Maillard, low-lactose milk, non-enzymatic browning, natural antioxidant
Procedia PDF Downloads 13111869 Microstructure and Mechanical Properties of Low Alloy Steel with Double Austenitizing Tempering Heat Treatment
Authors: Jae-Ho Jang, Jung-Soo Kim, Byung-Jun Kim, Dae-Geun Nam, Uoo-Chang Jung, Yoon-Suk Choi
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Low alloy steels are widely used for pressure vessels, spent fuel storage, and steam generators required to withstand the internal pressure and prevent unexpected failure in nuclear power plants, which these may suffer embrittlement by high levels of radiation and heat for a long period. Therefore, it is important to improve mechanical properties of low alloy steels for the integrity of structure materials at an early stage of fabrication. Recently, it showed that a double austenitizing and tempering (DTA) process resulted in a significant improvement of strength and toughness by refinement of prior austenite grains. In this study, it was investigated that the mechanism of improving mechanical properties according to the change of microstructure by the second fully austenitizing temperature of the DAT process for low alloy steel required the structural integrity. Compared to conventional single austenitizing and tempering (SAT) process, the tensile elongation properties have improved about 5%, DBTTs have obtained result in reduction of about -65℃, and grain size has decreased by about 50% in the DAT process conditions. Grain refinement has crack propagation interference effect due to an increase of the grain boundaries and amount of energy absorption at low temperatures. The higher first austenitizing temperature in the DAT process, the more increase the spheroidized carbides and strengthening the effect of fine precipitates in the ferrite grain. The area ratio of the dimple in the transition area has increased by proportion to the effect of spheroidized carbides. This may the primary mechanisms that can improve low-temperature toughness and elongation while maintaining a similar hardness and strength.Keywords: double austenitizing, Ductile Brittle transition temperature, grain refinement, heat treatment, low alloy steel, low-temperature toughness
Procedia PDF Downloads 50411868 TiO₂ Nanotube Array Based Selective Vapor Sensors for Breath Analysis
Authors: Arnab Hazra
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Breath analysis is a quick, noninvasive and inexpensive technique for disease diagnosis can be used on people of all ages without any risk. Only a limited number of volatile organic compounds (VOCs) can be associated with the occurrence of specific diseases. These VOCs can be considered as disease markers or breath markers. Selective detection with specific concentration of breath marker in exhaled human breath is required to detect a particular disease. For example, acetone (C₃H₆O), ethanol (C₂H₅OH), ethane (C₂H₆) etc. are the breath markers and abnormal concentrations of these VOCs in exhaled human breath indicates the diseases like diabetes mellitus, renal failure, breast cancer respectively. Nanomaterial-based vapor sensors are inexpensive, small and potential candidate for the detection of breath markers. In practical measurement, selectivity is the most crucial issue where trace detection of breath marker is needed to identify accurately in the presence of several interfering vapors and gases. Current article concerns a novel technique for selective and lower ppb level detection of breath markers at very low temperature based on TiO₂ nanotube array based vapor sensor devices. Highly ordered and oriented TiO₂ nanotube array was synthesized by electrochemical anodization of high purity tatinium (Ti) foil. 0.5 wt% NH₄F, ethylene glycol and 10 vol% H₂O was used as the electrolyte and anodization was carried out for 90 min with 40 V DC potential. Au/TiO₂ Nanotube/Ti, sandwich type sensor device was fabricated for the selective detection of VOCs in low concentration range. Initially, sensor was characterized where resistive and capacitive change of the sensor was recorded within the valid concentration range for individual breath markers (or organic vapors). Sensor resistance was decreased and sensor capacitance was increased with the increase of vapor concentration. Now, the ratio of resistive slope (mR) and capacitive slope (mC) provided a concentration independent constant term (M) for a particular vapor. For the detection of unknown vapor, ratio of resistive change and capacitive change at any concentration was same to the previously calculated constant term (M). After successful identification of the target vapor, concentration was calculated from the straight line behavior of resistance as a function of concentration. Current technique is suitable for the detection of particular vapor from a mixture of other interfering vapors.Keywords: breath marker, vapor sensors, selective detection, TiO₂ nanotube array
Procedia PDF Downloads 15111867 A Comparison of Single Point Incremental Forming Formability between Carbon Steel and Stainless Steel
Authors: Kittiphat Rattanachan
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The sheet metal forming process, the raw material mechanical properties are important parameters. This paper is to compare the wall’s incline angle or formability of SS 400 steel and SUS 304 stainless steel in single point incremental forming. The two materials are ferrous base alloy, which have the different cell unit, mechanical property and chemical composition. They were forming into cone shape specimens 100 mm diameter with different wall’s incline angle: 90o, 75o, and 60o. The investigation, the specimens were forming until the surface fracture was occurred. The experimental result showed that both materials with the smaller wall’s incline angle, the higher formability. The formability limited of the ferrous base alloy was approx. 60o wall’s incline angle. By nature, SS 400 was higher formability than SUS 304. This result could be used as the initial utilized data in designing the single point incremental forming parts.Keywords: NC incremental forming, single point incremental forming, wall incline angle, formability
Procedia PDF Downloads 33811866 Presentation of Transgender identities
Authors: Tony Chapman-Wilson
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Applied theatre is not an ultimate vehicle to create social change; but is more an opportunity of hope that the production material might affect this. Theatre-makers are able to deconstruct socially and politically challenging themes to encourage their audience to witness lived experiences as they consider themes of concern and injustice. This allows writers to (re) present the lived experiences of trans people, and for social injustice, continued transphobia, and lack of equity to be presented to an audience for debate. There needs to be a stronger position and presence of trans voices and active participation presented of these rather than just that of the cisgender-lens and standpoint. This research examines the relationship between human rights and theatre and considers global examples of this practice, as well as exploring the negatives formed from this relationship, and how this may be developed in the future. This focusses on the ability of theatre to denounce the violations of human rights and considers the power of theatre to support the importance of the awareness of violations to human rights for the raised awareness and potential for action of the audience – who may themselves be part of the oppressed, or indeed an oppressor. The fundamental assertion here is not one of evidenced social change, but of awareness raising of the audience and the potential for social activism and action. The practice of applied theatre is one that is experienced by the audience and the project participants alike, with the intention that theatre may consider how people interact with one another. This paper examines the opportunity of verbatim theatre techniques to allow for a cis-led trans-collaborative research project to (re) present intergenerational trans identities.Keywords: applied theatre, verbatim, transgender, social justice
Procedia PDF Downloads 3311865 Research on Eco-Sustainable Recycling of Industrial Wastes
Authors: Liliana Crăc, Nicolae Giorgi, Gheorghe Fometescu
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In Romania, billions of tonnes of wastes are generated yearly, an important amount being stored within industrial dumps that covers high soil areas and affects the environment quality, especially of ground and surface waters. Landfill represents in Romania the most important way for wastes removal, over 75% being generated every year, the costs with the dumps construction being considerable. In most of the cases, the wastes generated mainly by the energy industry, oil exploitation and metallurgy, are still considered wastes with NO-use, and their removal and neutralization represent for transport, handling and storing, high non-productive expenses which raise the cost of the useful products obtained. The paper presents a recycling idea of three types of wastes in order to use them for building materials manufacturing, by promoting ECOWASTES LIFE+ project, whose aim is to demonstrate that the recycling of waste from energy industry (coal combustion waste), petroleum extraction (drilling mud) and metallurgy (steelmaking slag) is technically feasible.Keywords: fly ash, drilled solid wastes, metallurgical slag, recycling, building materials
Procedia PDF Downloads 30711864 The Sembar Cretaceous Shale Gas Bearing Formation at Hajipur
Authors: Zakiullah Kalwar, Shabeer Ahmed Abbasi
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This research encompasses the study of Cretaceous Sembar Formation Shale Gas potential at Hajipur area. This study has been done with the approach of geophysical data integration. The structure is NE – SW trending anticline with two map able compartments at Cretaceous Sembar level. The study area is located within proven petroleum system. Cretaceous Sembar/Goru formation is in a Wet gas window and Tertiary source is possibly in the oil window. Potential seals are present in Upper Ranikot shale beds and Intra-Lower Ranikot shales. The effectiveness and presence of source and reservoir rocks are favorable in the area of interest. Cretaceous Sembar Shale and Goru Shale beds with good organic content (TOC upto 4%, Type II/III) are currently in gas generation window in the area. Source rock intervals are also reported in Eocene Kirthar Group (TOC upto 8%, Type –II). Good reservoir quality Paleocene Lower Ranikot and Cretaceous Sembar shale beds exist in the area. The collision between Indian and Eurasian Plates during Tertiary initiated folding and thrusting. The first phase of thrusting involved ophiolite emplacement along the western margins of the Indian Plate (west of the area under review). The main phase of thrusting in the Sulaiman region was from Late Miocene to the present. The study area contains Permian to Recent clastics and carbonates. The succession generally is younger in the southeast than in northwest. Intraformational sedimentation breaks are pronounced in Permian and Jurassic. Sulaiman Range is bounded by the Western Sulaiman Transform Fault Zone (of which the Kingri Fault is the major fault) to the west and by the Domanda Fault to the east. The Domanda Fault also constitutes the western boundary of the Sulaiman Foredeep, lies in sulaiman foredeep where subsurface having prominent independent closure. Several reservoir horizons of Jurassic to Eocene are established hydrocarbon producers in the Hajipur area.Keywords: enough size, good potential, shale gas, structure closure
Procedia PDF Downloads 27211863 The Effects of Incompetence in the Use of Mother Tongue on the Spoken English of Selected Primary School Pupils in Abeokuta South Local Government Ogun State, Nigeria
Authors: K. G. Adeosun, K. Osunaiye, E. C. Chinaguh, M. A. Aliyu, C. A. Onifade
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This study examined the effects of incompetence in the use of the mother tongue on the spoken English of selected Primary School pupils in Abeokuta South Local Government, Ogun State, Nigeria. The study used a structured questionnaire and interview guide as data collection instruments. The target population was 110 respondents. The sample was obtained by the use of simple random and stratified sampling techniques. The study samples were pupils from Government Primary Schools in Abeokuta South Local Government. The result revealed that the majority of pupils exhibited mother tongue interference in their oral production stage and that the local indigenous languages interfered with the pronunciation of English words to a large extent such that they pronounced ‘people’ as ‘fitful.’ The findings also revealed that there is no significant difference between inadequate teaching materials, shortage of funds towards the promotion of the mother tongue (Yoruba) and spoken English of Primary school pupils in the study area. The study recommended, among other things, that government should provide the necessary support for schools in the areas of teaching and learning materials, funds and other related materials that can enhance the effective use of the mother tongue towards spoken English by Primary School pupils. Government should ensure that oral English is taught to the pupils and the examination at the end of Primary school education should be made compulsory for all pupils. More so, the Government should provide language laboratories and other equipment to facilitate good teaching and learning of oral English.Keywords: education, effective, government, learning, teaching
Procedia PDF Downloads 7611862 Material Use and Life Cycle GHG Emissions of Different Electrification Options for Long-Haul Trucks
Authors: Nafisa Mahbub, Hajo Ribberink
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Electrification of long-haul trucks has been in discussion as a potential strategy to decarbonization. These trucks will require large batteries because of their weight and long daily driving distances. Around 245 million battery electric vehicles are predicted to be on the road by the year 2035. This huge increase in the number of electric vehicles (EVs) will require intensive mining operations for metals and other materials to manufacture millions of batteries for the EVs. These operations will add significant environmental burdens and there is a significant risk that the mining sector will not be able to meet the demand for battery materials, leading to higher prices. Since the battery is the most expensive component in the EVs, technologies that can enable electrification with smaller batteries sizes have substantial potential to reduce the material usage and associated environmental and cost burdens. One of these technologies is an ‘electrified road’ (eroad), where vehicles receive power while they are driving, for instance through an overhead catenary (OC) wire (like trolleybuses and electric trains), through wireless (inductive) chargers embedded in the road, or by connecting to an electrified rail in or on the road surface. This study assessed the total material use and associated life cycle GHG emissions of two types of eroads (overhead catenary and in-road wireless charging) for long-haul trucks in Canada and compared them to electrification using stationary plug-in fast charging. As different electrification technologies require different amounts of materials for charging infrastructure and for the truck batteries, the study included the contributions of both for the total material use. The study developed a bottom-up approach model comparing the three different charging scenarios – plug in fast chargers, overhead catenary and in-road wireless charging. The investigated materials for charging technology and batteries were copper (Cu), steel (Fe), aluminium (Al), and lithium (Li). For the plug-in fast charging technology, different charging scenarios ranging from overnight charging (350 kW) to megawatt (MW) charging (2 MW) were investigated. A 500 km of highway (1 lane of in-road charging per direction) was considered to estimate the material use for the overhead catenary and inductive charging technologies. The study considered trucks needing an 800 kWh battery under the plug-in charger scenario but only a 200 kWh battery for the OC and inductive charging scenarios. Results showed that overall the inductive charging scenario has the lowest material use followed by OC and plug-in charger scenarios respectively. The materials use for the OC and plug-in charger scenarios were 50-70% higher than for the inductive charging scenarios for the overall system including the charging infrastructure and battery. The life cycle GHG emissions from the construction and installation of the charging technology material were also investigated.Keywords: charging technology, eroad, GHG emissions, material use, overhead catenary, plug in charger
Procedia PDF Downloads 4911861 Presenting of 'Local Wishes Map' as a Tool for Promoting Dialogue and Developing Healthy Cities
Authors: Ana Maria G. Sperandio, Murilo U. Malek-Zadeh, João Luiz de S. Areas, Jussara C. Guarnieri
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Intersectoral governance is a requirement for developing healthy cities. However, this achievement is difficult to be succeeded, especially in regions at low resources condition. Therefore, it was developed a cheap investigative procedure to diagnose sectoral wishes related to urban planning and health promotion. This procedure is composed of two phases, which can be applied to different groups in order to compare the results. The first phase is a conversation guided by a list of questions. Some of those questions aim to gather information about how individuals understand concepts such as healthy city or a health promotion and what they believe that constitutes the relation between urban planning and urban health. Other questions investigate local issues, and how citizens would like to promote dialogue between sectors. At second phase individuals stand around the investigated city (or city region) map and are asked to represent their wishes on it. They can represent it by writing text notations or inserting icons on it, with the latter representing a city element, for example, some trees, a square, a playground, a hospital, a cycle track. After groups had represented their wishes, the map can be photographed, and then the results from distinct groups can be compared. This procedure was conducted at a small city in Brazil (Holambra), in 2017 which is the first out of four years of the mayor’s term. The prefecture asked for this tool in order to make Holambra become a city of Potential Healthy Municipalities Network in Brazil. Two sectors were investigated: the government and the urban population. By the end of our investigation, the intersection from the group (i.e., population and government) maps was accounted for creating a map of common wishes. Therefore, the material produced can be used as a guide for promoting dialogue between sectors and as a tool of monitoring politics progress. The report of this procedure was directed to public managers, so they could see the common wishes between themselves and local populations, and use this tool as a guide for creating urban politics which intends to enhance health promotion and to develop a healthy city, even at low resources condition.Keywords: governance, health promotion, intersectorality, urban planning
Procedia PDF Downloads 13211860 Emotional Processing Difficulties in Recovered Anorexia Nervosa Patients: State or Trait
Authors: Telma Fontao de Castro, Kylee Miller, Maria Xavier Araújo, Isabel Brandao, Sandra Torres
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Objective: There is a dearth of research investigating the long-term emotional functioning of individuals recovered from anorexia nervosa (AN). This 15-year longitudinal study aimed to examine whether difficulties in cognitive processing of emotions persisted after long-term AN recovery and its link to anxiety and depression. Method: Twenty-four females, who were tested longitudinally during their acute and recovered AN phases, and 24 healthy control (HC) women, were screened for anxiety, depression, alexithymia, and emotion regulation difficulties (ER; only assessed in recovery phase). Results: Anxiety, depression, and alexithymia levels decreased significantly with AN recovery. However, scores on anxiety and difficulty in identifying feelings (alexithymia factor) remained high when compared to the HC group. Scores on emotion regulation difficulties were also lower in HC group. The abovementioned differences between AN recovered group and HC group in difficulties in identifying and accepting feelings and lack of emotional clarity were no longer present when the effect of anxiety and depression was controlled. Conclusions: Findings suggest that emotional dysfunction tends to decrease in AN recovered phase. However, using an HC group as a reference, we conclude that several emotional difficulties are still increased after long-term AN recovery, in particular, limited access to emotion regulation strategies, and difficulty controlling impulses and engaging in goal-directed behavior, thus suggesting to be a trait vulnerability. In turn, competencies related to emotional clarity and acceptance of emotional responses seem to be state-dependent phenomena linked to anxiety and depression. In sum, managing emotions remains a challenge for individuals recovered from AN. Under this circumstance, maladaptive eating behavior can serve as an affect regulatory function, increasing the risk of relapse. Emotional education and stabilization of depressive and anxious symptomatology after recovery emerge as an important avenue to protect from long-term AN relapse.Keywords: alexithymia, anorexia nervosa, emotion recognition, emotion regulation
Procedia PDF Downloads 11811859 Family and Community Care for the Elderly: An Implementation Research in Local Community, Thailand
Authors: Sumattana Glangkarn, Vorapoj Promasatayaprot
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Background: Proportion of population ageing in Thailand has been increased rapidly in the past decades according to living longer and the fertility rates have decreased. The most important challenge related to this situation is to consider how to improve quality and years of healthy of life. This study aimed to implement the older persons’ long term care (LTC) system for elderly care by family and community. Method: The Consolidated Framework for Implementation Research (CFIR) was employed for guiding and evaluating an implementation process in ageing care. The CFIR composed of five major domains: intervention characteristics, outer setting, inner setting, characteristics of the individuals involved, and the process of implementation. Results: most elderly participants were couples, educating primary school and living with children and grandchildren. More than half of them had chronic diseases such as diabetes mellitus and hypertension. Factor analysis revealed factors related to health care of older participants which consisted of exercise, diet, accidental prevention, relaxation, self-care capacity, joyfulness, family relationship, and personal hygiene. A pre-implementation phase showed intervention characteristics included facilities and services of the LTC policy from the Ministry of Public Health. The complexities of the LTC and relative advantages were explained. Community leaders, public health volunteers, care givers and health professionals had participated in the LTC activities. Outer and inner settings consisted of context of community, culture, and readiness. Characteristics of the individuals related to knowledge, self-efficacy, perceptions, and believes. The process consisted of planning, acting, observing, and reflecting. The implementation outcomes and service outcomes had been evaluated during-implementation phase. Conclusion: the participation of caregivers, community leaders, public health volunteers, and health professionals had supported the LTC services. Thus, family and community care could improve quality of life of the ageing.Keywords: ageing, CFIR, long term care, implementation
Procedia PDF Downloads 16311858 Increasing Adherence to Preventative Care Bundles for Healthcare-Associated Infections: The Impact of Nurse Education
Authors: Lauren G. Coggins
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Catheter-associated urinary tract infections (CAUTI) and central line-associated bloodstream infections (CLABSI) are among the most common healthcare-associated infections (HAI), contributing to prolonged lengths of stay, greater costs of patient care, and increased patient mortality. Evidence-based preventative care bundles exist to establish consistent, safe patient-care practices throughout an entire organization, helping to ensure the collective application of care strategies that aim to improve patient outcomes and minimize complications. The cardiac intensive care unit at a nationally ranked teaching and research hospital in the United States exceeded its annual CAUTI and CLABSI targets in the fiscal year 2019, prompting examination into the unit’s infection prevention efforts that included preventative care bundles for both HAIs. Adherence to the CAUTI and CLABSI preventative care bundles was evaluated through frequent audits conducted over three months, using standards and resources from The Joint Commission, a globally recognized leader in quality improvement in healthcare and patient care safety. The bundle elements with the lowest scores were identified as the most commonly missed elements. Three elements from both bundles, six elements in total, served as key content areas for the educational interventions targeted to bedside nurses. The CAUTI elements included appropriate urinary catheter order, appropriate continuation criteria, and urinary catheter care. The CLABSI elements included primary tubing compliance, needleless connector compliance, and dressing change compliance. An integrated, multi-platform education campaign featured content on each CAUTI and CLABSI preventative care bundle in its entirety, with additional reinforcement focused on the lowest scoring elements. One-on-one educational materials included an informational pamphlet, badge buddy, a presentation to reinforce nursing care standards, and real-time application through case studies and electronic health record demonstrations. A digital hub was developed on the hospital’s Intranet for quick access to unit resources, and a bulletin board helped track the number of days since the last CAUTI and CLABSI incident. Audits continued to be conducted throughout the education campaign, and staff were given real-time feedback to address any gaps in adherence. Nearly every nurse in the cardiac intensive care unit received all educational materials, and adherence to all six key bundle elements increased after the implementation of educational interventions. Recommendations from this implementation include providing consistent, comprehensive education across multiple teaching tools and regular audits to track adherence. The multi-platform education campaign brought focus to the evidence-based CAUTI and CLABSI bundles, which in turn will help to reduce CAUTI and CLABSI rates in clinical practice.Keywords: education, healthcare-associated infections, infection, nursing, prevention
Procedia PDF Downloads 11011857 The Role Played by Awareness and Complexity through the Use of a Logistic Regression Analysis
Authors: Yari Vecchio, Margherita Masi, Jorgelina Di Pasquale
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Adoption of Precision Agriculture (PA) is involved in a multidimensional and complex scenario. The process of adopting innovations is complex and social inherently, influenced by other producers, change agents, social norms and organizational pressure. Complexity depends on factors that interact and influence the decision to adopt. Farm and operator characteristics, as well as organizational, informational and agro-ecological context directly affect adoption. This influence has been studied to measure drivers and to clarify 'bottlenecks' of the adoption of agricultural innovation. Making decision process involves a multistage procedure, in which individual passes from first hearing about the technology to final adoption. Awareness is the initial stage and represents the moment in which an individual learns about the existence of the technology. 'Static' concept of adoption has been overcome. Awareness is a precondition to adoption. This condition leads to not encountering some erroneous evaluations, arose from having carried out analysis on a population that is only in part aware of technologies. In support of this, the present study puts forward an empirical analysis among Italian farmers, considering awareness as a prerequisite for adoption. The purpose of the present work is to analyze both factors that affect the probability to adopt and determinants that drive an aware individual to not adopt. Data were collected through a questionnaire submitted in November 2017. A preliminary descriptive analysis has shown that high levels of adoption have been found among younger farmers, better educated, with high intensity of information, with large farm size and high labor-intensive, and whose perception of the complexity of adoption process is lower. The use of a logit model permits to appreciate the weight played by the intensity of labor and complexity perceived by the potential adopter in PA adoption process. All these findings suggest important policy implications: measures dedicated to promoting innovation will need to be more specific for each phase of this adoption process. Specifically, they should increase awareness of PA tools and foster dissemination of information to reduce the degree of perceived complexity of the adoption process. These implications are particularly important in Europe where is pre-announced the reform of Common Agricultural Policy, oriented to innovation. In this context, these implications suggest to the measures supporting innovation to consider the relationship between various organizational and structural dimensions of European agriculture and innovation approaches.Keywords: adoption, awareness, complexity, precision agriculture
Procedia PDF Downloads 13411856 Indian Business-Papers in Industrial Revolution 4.0: A Paradigm Shift
Authors: Disha Batra
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The Industrial Revolution 4.0 is quite different, and a paradigm shift is underway in the media industry. With the advent of automated journalism and social media platforms, newspaper organizations have changed the way news was gathered and reported. The emergence of the fourth industrial revolution in the early 21st century has made the newspapers to adapt the changing technologies to remain relevant. This paper investigates the content of Indian business-papers in the era of the fourth industrial revolution and how these organizations have emerged in the time of convergence. The study is the content analyses of the top three Indian business dailies as per IRS (Indian Readership Survey) 2017 over a decade. The parametric analysis of the different parameters (source of information, use of illustrations, advertisements, layout, and framing, etc.) have been done in order to come across with the distinct adaptations and modifications by these dailies. The paper significantly dwells upon the thematic analysis of these newspapers in order to explore and find out the coverage given to various sub-themes of EBF (economic, business, and financial) journalism. Further, this study reveals the effect of high-speed algorithm-based trading, the aftermath of the fourth industrial revolution on the creative and investigative aspect of delivering financial stories by these respective newspapers. The study indicates a change heading towards an ongoing paradigm shift in the business newspaper industry with an adequate change in the source of information gathering along with the subtle increase in the coverage of financial news stories over the time.Keywords: business-papers, business news, financial news, industrial revolution 4.0.
Procedia PDF Downloads 10911855 Computational Modelling of pH-Responsive Nanovalves in Controlled-Release System
Authors: Tomilola J. Ajayi
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A category of nanovalves system containing the α-cyclodextrin (α-CD) ring on a stalk tethered to the pores of mesoporous silica nanoparticles (MSN) is theoretically and computationally modelled. This functions to control opening and blocking of the MSN pores for efficient targeted drug release system. Modeling of the nanovalves is based on the interaction between α-CD and the stalk (p-anisidine) in relation to pH variation. Conformational analysis was carried out prior to the formation of the inclusion complex, to find the global minimum of both neutral and protonated stalk. B3LYP/6-311G**(d, p) basis set was employed to attain all theoretically possible conformers of the stalk. Six conformers were taken into considerations, and the dihedral angle (θ) around the reference atom (N17) of the p-anisidine stalk was scanned from 0° to 360° at 5° intervals. The most stable conformer was obtained at a dihedral angle of 85.3° and was fully optimized at B3LYP/6-311G**(d, p) level of theory. The most stable conformer obtained from conformational analysis was used as the starting structure to create the inclusion complexes. 9 complexes were formed by moving the neutral guest into the α-CD cavity along the Z-axis in 1 Å stepwise while keeping the distance between dummy atom and OMe oxygen atom on the stalk restricted. The dummy atom and the carbon atoms on α-CD structure were equally restricted for orientation A (see Scheme 1). The generated structures at each step were optimized with B3LYP/6-311G**(d, p) methods to determine their energy minima. Protonation of the nitrogen atom on the stalk occurs at acidic pH, leading to unsatisfactory host-guest interaction in the nanogate; hence there is dethreading. High required interaction energy and conformational change are theoretically established to drive the release of α-CD at a certain pH. The release was found to occur between pH 5-7 which agreed with reported experimental results. In this study, we applied the theoretical model for the prediction of the experimentally observed pH-responsive nanovalves which enables blocking, and opening of mesoporous silica nanoparticles pores for targeted drug release system. Our results show that two major factors are responsible for the cargo release at acidic pH. The higher interaction energy needed for the complex/nanovalve formation to exist after protonation as well as conformational change upon protonation are driving the release due to slight pH change from 5 to 7.Keywords: nanovalves, nanogate, mesoporous silica nanoparticles, cargo
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