Search results for: green chemistry principles
1467 Real-Time Generative Architecture for Mesh and Texture
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In the evolving landscape of physics-based machine learning (PBML), particularly within fluid dynamics and its applications in electromechanical engineering, robot vision, and robot learning, achieving precision and alignment with researchers' specific needs presents a formidable challenge. In response, this work proposes a methodology that integrates neural transformation with a modified smoothed particle hydrodynamics model for generating transformed 3D fluid simulations. This approach is useful for nanoscale science, where the unique and complex behaviors of viscoelastic medium demand accurate neurally-transformed simulations for materials understanding and manipulation. In electromechanical engineering, the method enhances the design and functionality of fluid-operated systems, particularly microfluidic devices, contributing to advancements in nanomaterial design, drug delivery systems, and more. The proposed approach also aligns with the principles of PBML, offering advantages such as multi-fluid stylization and consistent particle attribute transfer. This capability is valuable in various fields where the interaction of multiple fluid components is significant. Moreover, the application of neurally-transformed hydrodynamical models extends to manufacturing processes, such as the production of microelectromechanical systems, enhancing efficiency and cost-effectiveness. The system's ability to perform neural transfer on 3D fluid scenes using a deep learning algorithm alongside physical models further adds a layer of flexibility, allowing researchers to tailor simulations to specific needs across scientific and engineering disciplines.Keywords: physics-based machine learning, robot vision, robot learning, hydrodynamics
Procedia PDF Downloads 681466 Optimising Light Conditions for Recombinant Protein Production in the Microalgal Chlamydomonas reinhardtii Chloroplast
Authors: Saskya E. Carrera P., Ben Hankamer, Melanie Oey
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The green alga C. reinhardtii provides a platform for the cheap, scalable, and safe production of complex proteins. Despite gene expression in photosynthetic organisms being tightly regulated by light, most expression studies have analysed chloroplast recombinant protein production under constant light. Here the influence of illumination time and intensity on GFP and a GFP-PlyGBS (bacterial-lysin) fusion protein expression was investigated. The expression of both proteins was strongly influenced by the light regime (6-24 hr illumination per day), the light intensity (0-450 E m⁻²s⁻¹) and growth condition (photoautotrophic, mixotrophic and heterotrophic). Heterotrophic conditions resulted in relatively low recombinant protein yields per unit volume, despite high protein yields per cell, due to low growth rates. Mixotrophic conditions exhibited the highest yields at 6 hrs illumination at 200µE m⁻²s⁻¹ and under continuous low light illumination (13-16 mg L⁻¹ GFP and 1.2-1.6 mg L⁻¹ GFP-PlyGBS), as these conditions supported good cell growth and cellular protein yields. A ~23-fold increase in protein accumulation per cell and ~9-fold increase L⁻¹ culture was observed compared to standard constant 24 hr illumination for GFP-PlyGBS. The highest yields under photoautotrophic conditions were obtained under 9 hrs illumination (6 mg L⁻¹ GFP and 2.1 mg L⁻¹ GFP-PlyGBS). This represents a ~4-fold increase in cellular protein accumulation for GFP-PlyGBS. On a volumetric basis the highest yield was at 15 hrs illumination (~2-fold increase L⁻¹ over the constant light for GFP-PlyGBS). Optimising illumination conditions to balance growth and protein expression can thus significantly enhance overall recombinant protein production in C. reinhardtii cultures.Keywords: chlamydomonas reinhardtii, light, mixotrophic, recombinant protein
Procedia PDF Downloads 2581465 Binderless Naturally-extracted Metal-free Electrocatalyst for Efficient NOₓ Reduction
Authors: Hafiz Muhammad Adeel Sharif, Tian Li, Changping Li
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Recently, the emission of nitrogen-sulphur oxides (NOₓ, SO₂) has become a global issue and causing serious threats to health and the environment. Catalytic reduction of NOx and SOₓ gases into friendly gases is considered one of the best approaches. However, regeneration of the catalyst, higher bond-dissociation energy for NOx, i.e., 150.7 kcal/mol, escape of intermediate gas (N₂O, a greenhouse gas) with treated flue-gas, and limited activity of catalyst remains a great challenge. Here, a cheap, binderless naturally-extracted bass-wood thin carbon electrode (TCE) is presented, which shows excellent catalytic activity towards NOx reduction. The bass-wood carbonization at 900 ℃ followed by thermal activation in the presence of CO2 gas at 750 ℃. The thermal activation resulted in an increase in epoxy groups on the surface of the TCE and enhancement in the surface area as well as the degree of graphitization. The TCE unique 3D strongly inter-connected network through hierarchical micro/meso/macro pores that allow large electrode/electrolyte interface. Owing to these characteristics, the TCE exhibited excellent catalytic efficiency towards NOx (~83.3%) under ambient conditions and enhanced catalytic response under pH and sulphite exposure as well as excellent stability up to 168 hours. Moreover, a temperature-dependent activity trend was found where the highest catalytic activity was achieved at 80 ℃, beyond which the electrolyte became evaporative and resulted in a performance decrease. The designed electrocatalyst showed great potential for effective NOx-reduction, which is highly cost-effective, green, and sustainable.Keywords: electrocatalyst, NOx-reduction, bass-wood electrode, integrated wet-scrubbing, sustainable
Procedia PDF Downloads 801464 Web-Based Learning in Nursing: The Sample of Delivery Lesson Program
Authors: Merve Kadioğlu, Nevin H. Şahin
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Purpose: This research is organized to determine the influence of the web-based learning program. The program has been developed to gain information about normal delivery skill that is one of the topics of nursing students who take the woman health and illness. Material and Methods: The methodology of this study was applied as pre-test post-test single-group quasi-experimental. The pilot study consisted of 28 nursing student study groups who agreed to participate in the study. The findings were gathered via web-based technologies: student information form, information evaluation tests, Web Based Training Material Evaluation Scale and web-based learning environment feedback form. In the analysis of the data, the percentage, frequency and Wilcoxon Signed Ranks Test were used. The Web Based Instruction Program was developed in the light of full learning model, Mayer's research-based multimedia development principles and Gagne's Instructional Activities Model. Findings: The average scores of it was determined in accordance with the web-based educational material evaluation scale: ‘Instructional Suitability’ 4.45, ‘Suitability to Educational Program’ 4.48, ‘Visual Adequacy’ 4.53, ‘Programming Eligibility / Technical Adequacy’ 4.00. Also, the participants mentioned that the program is successful and useful. A significant difference was found between the pre-test and post-test results of the seven modules (p < 0.05). Results: According to pilot study data, the program was rated ‘very good’ by the study group. It was also found to be effective in increasing knowledge about normal labor.Keywords: normal delivery, web-based learning, nursing students, e-learning
Procedia PDF Downloads 1811463 Energy Use and Econometric Models of Soybean Production in Mazandaran Province of Iran
Authors: Majid AghaAlikhani, Mostafa Hojati, Saeid Satari-Yuzbashkandi
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This paper studies energy use patterns and relationship between energy input and yield for soybean (Glycine max (L.) Merrill) in Mazandaran province of Iran. In this study, data were collected by administering a questionnaire in face-to-face interviews. Results revealed that the highest share of energy consumption belongs to chemical fertilizers (29.29%) followed by diesel (23.42%) and electricity (22.80%). Our investigations showed that a total energy input of 23404.1 MJ.ha-1 was consumed for soybean production. The energy productivity, specific energy, and net energy values were estimated as 0.12 kg MJ-1, 8.03 MJ kg-1, and 49412.71 MJ.ha-1, respectively. The ratio of energy outputs to energy inputs was 3.11. Obtained results indicated that direct, indirect, renewable and non-renewable energies were (56.83%), (43.17%), (15.78%) and (84.22%), respectively. Three econometric models were also developed to estimate the impact of energy inputs on yield. The results of econometric models revealed that impact of chemical, fertilizer, and water on yield were significant at 1% probability level. Also, direct and non-renewable energies were found to be rather high. Cost analysis revealed that total cost of soybean production per ha was around 518.43$. Accordingly, the benefit-cost ratio was estimated as 2.58. The energy use efficiency in soybean production was found as 3.11. This reveals that the inputs used in soybean production are used efficiently. However, due to higher rate of nitrogen fertilizer consumption, sustainable agriculture should be extended and extension staff could be proposed substitution of chemical fertilizer by biological fertilizer or green manure.Keywords: Cobbe Douglas function, economical analysis, energy efficiency, energy use patterns, soybean
Procedia PDF Downloads 3391462 From Conflicts to Synergies between Mitigation and Adaptation Strategies to Climate Change: The Case of Lisbon Downtown 2010-2030
Authors: Nuno M. Pereira
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In the last thirty years, European cities have been addressing global climate change and its local impacts by implementing mitigation and adaptation strategies. Lisbon Downtown is no exception with 10 plans under implementation since 2010 with completion scheduled for 2030 valued 1 billion euros of public investment. However, the gap between mitigation and adaptation strategies is not yet sufficiently studied alongside with its nuances- vulnerability and risk mitigation, resilience and adaptation. In Lisbon Downtown, these plans are being implemented separately, therefore compromising the effectiveness of public investment. The research reviewed the common ground of mitigation and adaptation strategies of the theoretical framework and analyzed the current urban development actions in Lisbon Downtown in order to identify potential conflicts and synergies. The empirical fieldwork supported by a sounding board of experts has been developed during two years and the results suggest that the largest public investment in Lisbon on flooding mitigation will conflict with the new Cruise ship terminal and old Downton building stock, therefore increasing risk and vulnerability factors. The study concludes that the Lisbon Downtown blue infrastructure plan should be redesigned in some areas in a trans- disciplinary and holistic approach and that the current theoretical framework on climate change should focus more on mitigation and adaptation synergies articulating the gray, blue and green infrastructures, combining old knowledge tested by resilient communities and new knowledge emerging from the digital era.Keywords: adaptation, climate change, conflict, Lisbon Downtown, mitigation, synergy
Procedia PDF Downloads 2041461 Understanding Learning Styles of Hong Kong Tertiary Students for Engineering Education
Authors: K. M. Wong
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Engineering education is crucial to technological innovation and advancement worldwide by generating young talents who are able to integrate scientific principles and design practical solutions for real-world problems. Graduates of engineering curriculums are expected to demonstrate an extensive set of learning outcomes as required in international accreditation agreements for engineering academic qualifications, such as the Washington Accord and the Sydney Accord. On the other hand, students have different learning preferences of receiving, processing and internalizing knowledge and skills. If the learning environment is advantageous to the learning styles of the students, there is a higher chance that the students can achieve the intended learning outcomes. With proper identification of the learning styles of the students, corresponding teaching strategies can then be developed for more effective learning. This research was an investigation of learning styles of tertiary students studying higher diploma programmes in Hong Kong. Data from over 200 students in engineering programmes were collected and analysed to identify the learning characteristics of students. A small-scale longitudinal study was then started to gather academic results of the students throughout their two-year engineering studies. Preliminary results suggested that the sample students were reflective, sensing, visual, and sequential learners. Observations from the analysed data not only provided valuable information for teachers to design more effective teaching strategies, but also provided data for further analysis with the students’ academic results. The results generated from the longitudinal study shed light on areas of improvement for more effective engineering curriculum design for better teaching and learning.Keywords: learning styles, learning characteristics, engineering education, vocational education, Hong Kong
Procedia PDF Downloads 2671460 The Discussion on the Composition of Feng Shui by the Environmental Planning Viewpoint
Authors: Jhuang Jin-Jhong, Hsieh Wei-Fan
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Climate change causes natural disasters persistently. Therefore, nowadays environmental planning objective tends to the issues of respecting nature and coexisting with nature. As a result, the natural environment analysis, e.g., the analysis of topography, soil, hydrology, climate, vegetation, is highly emphasized. On the other hand, Feng Shui has been a criterion of site selection for residence in Eastern since the ancient times and has had farther influence on site selection for castles and even for temples and tombs. The primary criterion of site selection is judging the quality of Long: mountain range, Sha: nearby mountains, Shui: hydrology, Xue: foundation, Xiang: aspect, which are similar to the environmental variables of mountain range, topography, hydrology and aspect. For the reason, a lot researchers attempt to probe into the connection between the criterion of Feng Shui and environmental planning factors. Most researches only discussed with the composition and theory of space of Feng Shui, but there is no research which explained Feng Shui through the environmental field. Consequently, this study reviewed the theory of Feng Shui through the environmental planning viewpoint and assembled essential composition factors of Feng Shui. The results of this study point. From literature review and comparison of theoretical meanings, we find that the ideal principles for planning the Feng Shui environment can also be used for environmental planning. Therefore, this article uses 12 ideal environmental features used in Feng Shui to contrast the natural aspects of the environment and make comparisons with previous research and classifies the environmental factors into climate, topography, hydrology, vegetation, and soil.Keywords: the composition of Feng Shui, environmental planning, site selection, main components of the Feng Shui environment
Procedia PDF Downloads 5181459 Generating a Functional Grammar for Architectural Design from Structural Hierarchy in Combination of Square and Equal Triangle
Authors: Sanaz Ahmadzadeh Siyahrood, Arghavan Ebrahimi, Mohammadjavad Mahdavinejad
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Islamic culture was accountable for a plethora of development in astronomy and science in the medieval term, and in geometry likewise. Geometric patterns are reputable in a considerable number of cultures, but in the Islamic culture the patterns have specific features that connect the Islamic faith to mathematics. In Islamic art, three fundamental shapes are generated from the circle shape: triangle, square and hexagon. Originating from their quiddity, each of these geometric shapes has its own specific structure. Even though the geometric patterns were generated from such simple forms as the circle and the square, they can be combined, duplicated, interlaced, and arranged in intricate combinations. So in order to explain geometrical interaction principles between square and equal triangle, in the first definition step, all types of their linear forces individually and in the second step, between them, would be illustrated. In this analysis, some angles will be created from intersection of their directions. All angles are categorized to some groups and the mathematical expressions among them are analyzed. Since the most geometric patterns in Islamic art and architecture are based on the repetition of a single motif, the evaluation results which are obtained from a small portion, is attributable to a large-scale domain while the development of infinitely repeating patterns can represent the unchanging laws. Geometric ornamentation in Islamic art offers the possibility of infinite growth and can accommodate the incorporation of other types of architectural layout as well, so the logic and mathematical relationships which have been obtained from this analysis are applicable in designing some architecture layers and developing the plan design.Keywords: angle, equal triangle, square, structural hierarchy
Procedia PDF Downloads 1981458 Applied Transdisciplinary Undergraduate Research in Costa Rica: Five Weeks Faculty-Led Study Abroad Model
Authors: Sara Shuger Fox, Oscar Reynaga
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This session explains the process and lessons learned as Central College (USA) faculty and staff developed undergraduate research opportunities within the model of a short-term faculty-led study abroad program in Costa Rica. The program in Costa Rica increases access to research opportunities across the disciplines and was developed by faculty from English, Biology, and Exercise Science. Session attendees will benefit from learning how faculty and staff navigated the program proposal process at a small liberal arts college and, in particular, how the program was built to be inclusive of departments with lower enrollment, like those currently seen in the humanities. Vital to this last point, presenters will explain how they negotiated issues of research supervision and disciplinary authority in such a way that the program is open to students from multiple disciplines without forcing the program budget to absorb costs for multiple faculty supervisors traveling and living in-country. Additionally, session attendees will learn how scouting laid the groundwork for mutually beneficial relationships between the program and the communities with which it collaborates. Presenters will explain how they built a coalition of students, faculty advisors, study abroad staff and local research hosts to support the development of research questions that are of value not just to the students, but to the community in which the research will take place. This program also incorporates principles of fair-trade learning by intentionally reporting research findings to local community members, as well as encouraging students to proactively share their research as a way to connect with local people.Keywords: Costa Rica, research, sustainability, transdisciplinary
Procedia PDF Downloads 10651457 Correlation of Structure and Antiviral Activity of Alkaloids of Polygonum L. Plants Growing in Kazakhstan
Authors: Dmitry Yu. Korulkin, Raissa A. Muzychkina
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Currently to treat infectious diseases bioactive substances of plant origin having fewer side effects than synthetic medicines and medicines similar to natural components of a human body by the structure and action, become very important. One of the groups of secondary metabolites of the plants - alkaloids can be related the number of the most promising sources of medicines of plant origin. Currently, the structure of more than 7500 compounds has been identified. Analyzing the scope of research in the field of chemistry, pharmacology and technology of alkaloids, we can make a conclusion about that there is no system approach during the research of relation structure-activity on different groups of these substances. It is connected not only with a complex structure of their molecules, but also with insufficient information on the nature of their effect on organs, tissues and other targets in organism. The purpose of this research was to identify pharmacophore groups in the structure of alkaloids of endemic Polygonum L. plants growing in Kazakhstan responsible for their antiviral action. To isolate alkaloids pharmacopoeian methods were used. Antiviral activity of alkaloids of Polygonum L. plants was researched in the Institute of Microbiology and Virology of the Ministry of Education and Science of the Republic of Kazakhstan. Virus-inhibiting properties of compounds were studies in experiments with ortho- and paramyxoviruses on the model of chick-embryos. Anti-viral properties were determined using ‘screening test’ method designed to neutralization of a virus at the amount of 100EID50 with set concentrations of medicines. The difference of virus titer compared to control group was deemed as the criterion of antiviral action. It has been established that Polygonum L. alkaloids has high antiviral effect to influenza and parainfluenza viruses. The analysis of correlation of the structure and antiviral activity of alkaloids allowed identifying the main pharmacophore groups, among which the most important are glycosidation, the presence of carbonyl and hydroxyl groups, molecular weight and molecular size.Keywords: alkaloids, antiviral, bioactive substances, isolation, pharmacophore groups, Polygonum L.
Procedia PDF Downloads 4411456 A Key Parameter in Ocean Thermal Energy Conversion Plant Design and Operation
Authors: Yongjian Gu
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Ocean thermal energy is one of the ocean energy sources. It is a renewable, sustainable, and green energy source. Ocean thermal energy conversion (OTEC) applies the ocean temperature gradient between the warmer surface seawater and the cooler deep seawater to run a heat engine and produce a useful power output. Unfortunately, the ocean temperature gradient is not big. Even in the tropical and equatorial regions, the surface water temperature can only reach up to 28oC and the deep water temperature can be as low as 4oC. The thermal efficiency of the OTEC plants, therefore, is low. In order to improve the plant thermal efficiency by using the limited ocean temperature gradient, some OTEC plants use the method of adding more equipment for better heat recovery, such as heat exchangers, pumps, etc. Obviously, the method will increase the plant's complexity and cost. The more important impact of the method is the additional equipment needs to consume power too, which may have an adverse effect on the plant net power output, in turn, the plant thermal efficiency. In the paper, the author first describes varied OTEC plants and the practice of using the method of adding more equipment for improving the plant's thermal efficiency. Then the author proposes a parameter, plant back works ratio ϕ, for measuring if the added equipment is appropriate for the plant thermal efficiency improvement. Finally, in the paper, the author presents examples to illustrate the application of the back work ratio ϕ as a key parameter in the OTEC plant design and operation.Keywords: ocean thermal energy, ocean thermal energy conversion (OTEC), OTEC plant, plant back work ratio ϕ
Procedia PDF Downloads 2001455 Local Development and Community Participation in Owo Local Government Area of Ondo State, Nigeria
Authors: Tolu Lawal
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The genuine development of the grassroots particularly in the developing societies depends largely on the participation of the rural populace in policy conception and implementation, especially in the area of development policies, fundamentally, the rural people play a vital and significance role in economic and political development of the nation. This is because the bulk of the economic produce as well as votes come from these areas. However, the much needed development has continued to elude the rural communities inspire of the various development policies carried out by successive governments in the state. The exclusion of rural communities from planning and implementation of facilities meant to benefit them, and the international debate on sustainable rural development led Ondo State government to re-think its rural development policy with a view to establishing more effective strategies for rural development. The 31s initiatives introduced in 2009 emphasizes the important role of communities in their own development. The paper therefore critically assessed the 31s initiative of the present government in Ondo State with a view to knowing its impact on rural people. The study adopted both primary and secondary data to source its information. Interviews were conducted with the key informants, and field survey (visit) was also part of method of collecting data. Documents, reports and records on 31s initiatives in the selected villages and from outside were also consulted. The paper submitted that 31s initiative has not impacted positively on the lives of rural dwellers in Ondo-State, most especially in the areas of infrastructure and integrated development. The findings also suggested that 31s initiatives is not hopeless, but needs a different kind of investment, for example introducing measures of accountability, addressing the politicization of the initiative and exploiting key principles of development and service delivery.Keywords: development, infrastructure, rural development, participation
Procedia PDF Downloads 3141454 Deliberate Learning and Practice: Enhancing Situated Learning Approach in Professional Communication Course
Authors: Susan Lee
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Situated learning principles are adopted in the design of the module, professional communication, in its iteration of tasks and assignments to create a learning environment that simulates workplace reality. The success of situated learning is met when students are able to transfer and apply their skills beyond the classroom, in their personal life, and workplace. The learning process should help students recognize the relevance and opportunities for application. In the module’s learning component on negotiation, cases are created based on scenarios inspired by industry practices. The cases simulate scenarios that students on the course may encounter when they enter the workforce when they take on executive roles in the real estate sector. Engaging in the cases has enhanced students’ learning experience as they apply interpersonal communication skills in negotiation contexts of executives. Through the process of case analysis, role-playing, and peer feedback, students are placed in an experiential learning space to think and act in a deliberate manner not only as students but as professionals they will graduate to be. The immersive skills practices enable students to continuously apply a range of verbal and non-verbal communication skills purposefully as they stage their negotiations. The theme in students' feedback resonates with their awareness of the authentic and workplace experiences offered through visceral role-playing. Students also note relevant opportunities for the future transfer of the skills acquired. This indicates that students recognize the possibility of encountering similar negotiation episodes in the real world and realize they possess the negotiation tools and communication skills to deliberately apply them when these opportunities arise outside the classroom.Keywords: deliberate practice, interpersonal communication skills, role-play, situated learning
Procedia PDF Downloads 2181453 Preparation of Fe3Si/Ferrite Micro-and Nano-Powder Composite
Authors: Radovan Bures, Madgalena Streckova, Maria Faberova, Pavel Kurek
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Composite material based on Fe3Si micro-particles and Mn-Zn nano-ferrite was prepared using powder metallurgy technology. The sol-gel followed by autocombustion process was used for synthesis of Mn0.8Zn0.2Fe2O4 ferrite. 3 wt.% of mechanically milled ferrite was mixed with Fe3Si powder alloy. Mixed micro-nano powder system was homogenized by the Resonant Acoustic Mixing using ResodynLabRAM Mixer. This non-invasive homogenization technique was used to preserve spherical morphology of Fe3Si powder particles. Uniaxial cold pressing in the closed die at pressure 600 MPa was applied to obtain a compact sample. Microwave sintering of green compact was realized at 800°C, 20 minutes, in air. Density of the powders and composite was measured by Hepycnometry. Impulse excitation method was used to measure elastic properties of sintered composite. Mechanical properties were evaluated by measurement of transverse rupture strength (TRS) and Vickers hardness (HV). Resistivity was measured by 4 point probe method. Ferrite phase distribution in volume of the composite was documented by metallographic analysis. It has been found that nano-ferrite particle distributed among micro- particles of Fe3Si powder alloy led to high relative density (~93%) and suitable mechanical properties (TRS >100 MPa, HV ~1GPa, E-modulus ~140 GPa) of the composite. High electric resistivity (R~6.7 ohm.cm) of prepared composite indicate their potential application as soft magnetic material at medium and high frequencies.Keywords: micro- and nano-composite, soft magnetic materials, microwave sintering, mechanical and electric properties
Procedia PDF Downloads 3661452 Genesis of Talc Bodies in Relation to the Mafic-Ultramafic Rocks around Wonu, Ibadan-Apomu Area, Southwestern Nigeria
Authors: Morenike Abimbola Adeleye, Anthony Temidayo Bolarinwa
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The genesis of talc bodies around Wonu, Ibadan-Apomu area, southwestern Nigeria, has been speculative due to inadequate compositional data on the talc and the mafic-ultramafic protoliths. Petrography, morphology, using scanning electron microscope, mineral chemistry, X-ray diffraction, and major, trace and rare-earth element compositions of the talc and the mafic-ultramafic in the area were undertaken with a view to determine the genesis of the talc bodies. Fine-grained amphibolite and lherzolite are the major mafic-ultramafic rocks in the study area. The amphibolite is fine-grained, composed of amphiboles, pyroxenes plagioclase, K-feldspar, ilmenite, magnetite, and garnet. The lherzolite and talc are composed of olivines, pyroxenes, amphiboles, and plagioclase. Alteration minerals include serpentine, amesite, talc, Cr-bearing clinochlore, and ferritchromite. Cr-spinel, pyrite, and magnetite are the accessory minerals present. Alteration of olivines, pyroxenes, and amphiboles to talc and chlinochlore; and spinel to ferritchchromite by hydrothermal (H₂O-CO₂-Cl-HF) fluids, provided by the granitic intrusions in the area, showed retrograde metasomatism of amphibolites to greenschist facies at 500-550ºC. This led to the formation of talc, amesite, anthophyllite, actinolite, and tremolite. The Al₂O₃-Fe₂O₃+TiO₂-MgO discrimination diagram suggests tholeiitic protolith for the amphibolite and komatitic protolith for the lherzolite. The lherzolite has flat rare-earth element patterns typical of komatiites and dunites. The Al₂O₃/TiO₂ ratios, Ce/Nb vs. Th/Nb, Cr-TiO₂, TiO₂ vs. Al₂O₃, and Nd vs. Nb discrimination diagrams indicated that the talcs are from two-parent sources: altered metacarbonates and tholeiitic basalts (amphibolites) to komatitic basalts (lherzolites).Keywords: amphibolites, lherzolites, talc, komatiite
Procedia PDF Downloads 2251451 Analysis of Seismic Waves Generated by Blasting Operations and their Response on Buildings
Authors: S. Ziaran, M. Musil, M. Cekan, O. Chlebo
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The paper analyzes the response of buildings and industrially structures on seismic waves (low frequency mechanical vibration) generated by blasting operations. The principles of seismic analysis can be applied for different kinds of excitation such as: earthquakes, wind, explosions, random excitation from local transportation, periodic excitation from large rotating and/or machines with reciprocating motion, metal forming processes such as forging, shearing and stamping, chemical reactions, construction and earth moving work, and other strong deterministic and random energy sources caused by human activities. The article deals with the response of seismic, low frequency, mechanical vibrations generated by nearby blasting operations on a residential home. The goal was to determine the fundamental natural frequencies of the measured structure; therefore it is important to determine the resonant frequencies to design a suitable modal damping. The article also analyzes the package of seismic waves generated by blasting (Primary waves – P-waves and Secondary waves S-waves) and investigated the transfer regions. For the detection of seismic waves resulting from an explosion, the Fast Fourier Transform (FFT) and modal analysis, in the frequency domain, is used and the signal was acquired and analyzed also in the time domain. In the conclusions the measured results of seismic waves caused by blasting in a nearby quarry and its effect on a nearby structure (house) is analyzed. The response on the house, including the fundamental natural frequency and possible fatigue damage is also assessed.Keywords: building structure, seismic waves, spectral analysis, structural response
Procedia PDF Downloads 4061450 Geopolymer Concrete: A Review of Properties, Applications and Limitations
Authors: Abbas Ahmed Albu Shaqraa
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The concept of a safe environment and low greenhouse gas emissions is a common concern especially in the construction industry. The produced carbon dioxide (CO2) emissions are nearly a ton in producing only one ton of Portland cement, which is the primary ingredient of concrete. Current studies had investigated the utilization of several waste materials in producing a cement free concrete. The geopolymer concrete is a green material that results from the reaction of aluminosilicate material with an alkaline liquid. A summary of several recent researches in geopolymer concrete will be presented in this manuscript. In addition, the offered presented review considers the use of several waste materials including fly ash, granulated blast furnace slag, cement kiln dust, kaolin, metakaolin, and limestone powder as binding materials in making geopolymer concrete. Moreover, the mechanical, chemical and thermal properties of geopolymer concrete will be reviewed. In addition, the geopolymer concrete applications and limitations will be discussed as well. The results showed a high early compressive strength gain in geopolymer concrete when dry- heating or steam curing was performed. Also, it was stated that the outstanding acidic resistance of the geopolymer concrete made it possible to be used where the ordinary Portland cement concrete was doubtable. Thus, the commercial geopolymer concrete pipes were favored for sewer system in case of high acidic conditions. Furthermore, it was reported that the geopolymer concrete could stand up to 1200 °C in fire without losing its strength integrity whereas the Portland cement concrete was losing its function upon heating to some 100s °C only. However, the geopolymer concrete still considered as an emerging field and occupied mainly by the precast industries.Keywords: geopolymer concrete, Portland cement concrete, alkaline liquid, compressive strength
Procedia PDF Downloads 2241449 European Union Health Policy and the Response to COVID-19 Pandemic: Building a European Health Union
Authors: Aikaterini Tsalampouni
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The European Union has long been the most developed model of economic and political integration that has brought a common market, a common currency and a standardization of national policies in certain areas in consistent with EU values and principles. To this direction, there is a parallel process of social integration that effect public policy decisions of member states. Even though social policy, i.e. social protection and moreover healthcare policy, still remains in state's responsibility to develop, EU applies different mechanisms in order to influence health policy systems, since from a more federalist point of view, EU ought to expand its regulatory and legislative roles in as many policy areas as possible. Recently, the pandemic has become a turning point for health care provision and at the same time has also highlighted the need to strengthen the EU’s role in coordinating health care. This paper analyses the EU health policy in general, as well as the response to COVID-19 pandemic with an attempt to identify indications of interaction between EU policies and the promotion of sustainable and resilient health systems. More analytically, the paper investigates the EU binding legal instruments, non-binding legal instruments, monitoring and assessment instruments and instruments for co-financing concerning health care provision in member states and records the evolution of health policies before and during the COVID-19 pandemic. The paper concludes by articulating some remarks regarding the improvement of health policy in EU. Since the ability to deal with a pandemic depends on continuous and increased investment in health systems, the involvement of the EU can lead to a policy convergence, necessary for the resilience of the systems, maintaining at the same time, a strong health policy framework in Europe.Keywords: EU health policy, EU response to COVID-19, European Health Union, health systems in Europe
Procedia PDF Downloads 1181448 Instrumental Neutron Activation Analysis (INAA) and Atomic Absorption Spectroscopy (AAS) for the Elemental Analysis Medicinal Plants from India Used in the Treatment of Heart Diseases
Authors: B. M. Pardeshi
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Introduction: Minerals and trace elements are chemical elements required by our bodies for numerous biological and physiological processes that are necessary for the maintenance of health. Medicinal plants are highly beneficial for the maintenance of good health and prevention of diseases. They are known as potential sources of minerals and vitamins. 30 to 40% of today’s conventional drugs used in the medicinal and curative properties of various plants are employed in herbal supplement botanicals, nutraceuticals and drug. Aim: The authors explored the mineral element content of some herbs, because mineral elements may have significant role in the development and treatment of gastrointestinal diseases, and a close connection between the presence or absence of mineral elements and inflammatory mediators was noted. Methods: Present study deals with the elemental analysis of medicinal plants by Instrumental Neutron activation Analysis and Atomic Absorption Spectroscopy. Medicinal herbals prescribed for skin diseases were purchased from markets and were analyzed by Instrumental Neutron Activation Analysis (INAA) using 252Cf Californium spontaneous fission neutron source (flux* 109 n s-1) and the induced activities were counted by γ-ray spectrometry and Atomic Absorption Spectroscopy (AAS) techniques (Perkin Elmer 3100 Model) available at Department of Chemistry University of Pune, India, was used for the measurement of major, minor and trace elements. Results: 15 elements viz. Al, K, Cl, Na, Mn by INAA and Cu, Co, Pb Ni, Cr, Ca, Fe, Zn, Hg and Cd by AAS were analyzed from different medicinal plants from India. A critical examination of the data shows that the elements Ca , K, Cl, Al, and Fe are found to be present at major levels in most of the samples while the other elements Na, Mn, Cu, Co, Pb, Ni, Cr, Ca, Zn, Hg and Cd are present in minor or trace levels. Conclusion: The beneficial therapeutic effect of the studied herbs may be related to their mineral element content. The elemental concentration in different medicinal plants is discussed.Keywords: instrumental neutron activation analysis, atomic absorption spectroscopy, medicinal plants, trace elemental analysis, mineral contents
Procedia PDF Downloads 3361447 Analysis of Spatiotemporal Efficiency and Fairness of Railway Passenger Transport Network Based on Space Syntax: Taking Yangtze River Delta as an Example
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Based on the railway network and the principles of space syntax, the study attempts to reconstruct the spatial relationship of the passenger network connections from space and time perspective. According to the travel time data of main stations in the Yangtze River Delta urban agglomeration obtained by the Internet, the topological drawing of railway network under different time sections is constructed. With the comprehensive index composed of connection and integration, the accessibility and network operation efficiency of the railway network in different time periods is calculated, while the fairness of the network is analyzed by the fairness indicators constructed with the integration and location entropy from the perspective of horizontal and vertical fairness respectively. From the analysis of the efficiency and fairness of the railway passenger transport network, the study finds: (1) There is a strong regularity in regional system accessibility change; (2) The problems of efficiency and fairness are different in different time periods; (3) The improvement of efficiency will lead to the decline of horizontal fairness to a certain extent, while from the perspective of vertical fairness, the supply-demand situation has changed smoothly with time; (4) The network connection efficiency of Shanghai, Jiangsu and Zhejiang regions is higher than that of the western regions such as Anqing and Chizhou; (5) The marginalization of Nantong, Yancheng, Yangzhou, Taizhou is obvious. The study explores the application of spatial syntactic theory in regional traffic analysis, in order to provide a reference for the development of urban agglomeration transportation network.Keywords: spatial syntax, the Yangtze River Delta, railway passenger time, efficiency and fairness
Procedia PDF Downloads 1391446 A Refrigerated Condition for the Storage of Glucose Test Strips at Health Promoting Hospitals: An Implication for Hospitals with Limited Air Conditioners
Authors: Wanutchaya Duanginta, Napaporn Apiratmateekul, Tippawan Sangkaew, Sunaree Wekinhirun, Kunchit Kongros, Wanvisa Treebuphachatsakul
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Thailand has a tropical climate with an average outdoor ambient air temperature of over 30°C, which can exceed manufacturer recommendations for the storage of glucose test strips. This study monitored temperature and humidity at actual sites of five sub-district health promoting hospitals (HPH) in Phitsanulok Province for the storage of glucose test strips in refrigerated conditions. Five calibrated data loggers were placed at the actual sites for glucose test strip storage at five HPHs for 8 weeks between April and June. For the stress test, two lot numbers of glucose test strips, each with two glucose meters, were kept in a plastic box with desiccants and placed in a refrigerator with the temperature calibrated to 4°C and at room temperature (RT). Temperature and humidity in the refrigerator and at RT were measured every hour for 30 days. The mean temperature for storing test strips at the five HPHs ranged from 29°C to 33°C, and three of the five HPHs (60%) had a mean temperature above 30°C. The refrigerator temperatures were 3.8 ± 2.0°C (2.0°C to 6.5°C), and relative humidity was 51 ± 2% (42 to 54%). The maximum of blood glucose testing by glucose meters when the test strips were stored in a refrigerator were not significantly different (p > 0.05) from unstressed test strips for both glucose meters using amperometry-GDH-PQQ and amperometry-GDH-FAD principles. Opening the test strip vial daily resulted in higher variation than when refrigerated after a single-use. However, the variations were still within an acceptable range. This study concludes that glucose tested strips can be stored in plastic boxes in a refrigerator if it is well-controlled for temperature and humidity. Storage of glucose-tested strips in the refrigerator during hot and humid weather may be useful for HPHs with limited air conditioners.Keywords: environmental stressed test, thermal stressed test, quality control, point-of-care testing
Procedia PDF Downloads 2011445 Geodesign Application for Bio-Swale Design: A Data-Driven Design Approach for a Case Site in Ottawa Street North in Hamilton, Ontario, Canada
Authors: Adele Pierre, Nadia Amoroso
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Changing climate patterns are resulting in increased in storm severity, challenging traditional methods of managing stormwater runoff. This research compares a system of bioswales to existing curb and gutter infrastructure in a post-industrial streetscape of Hamilton, Ontario. Using the geodesign process, including rule-based set parameters and an integrated approach combining geospatial information with stakeholder input, a section of Ottawa St. North was modelled to show how green infrastructure can ease the burden on aging, combined sewer systems. Qualitative data was gathered from residents of the neighbourhood through field notes, and quantitative geospatial data through GIS and site analysis. Parametric modelling was used to generate multiple design scenarios, each visualizing resulting impacts on stormwater runoff along with their calculations. The selected design scenarios offered both an aesthetically pleasing urban bioswale street-scape system while minimizing and controlling stormwater runoff. Interactive maps, videos and the 3D model were presented for stakeholder comment via ESRI’s (Environmental System Research Institute) web-scene. The results of the study demonstrate powerful tools that can assist landscape architects in designing, collaborating and communicating stormwater strategies.Keywords: bioswale, geodesign, data-driven and rule-based design, geodesign, GIS, stormwater management
Procedia PDF Downloads 1851444 An Interactive Institutional Framework for Evolution of Enterprise Technological Innovation Capabilities System: A Complex Adaptive Systems Approach
Authors: Sohail Ahmed, Ke Xing
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This research theoretically explored the evolution mechanism of enterprise technological innovation capability system (ETICS) from the perspective of complex adaptive systems (CAS). This research proposed an analytical framework for ETICS, its concepts, and theory by integrating CAS methodology into the management of the technological innovation capability of enterprises and discusses how to use the principles of complexity to analyze the composition, evolution, and realization of the technological innovation capabilities in complex dynamic environments. This paper introduces the concept and interaction of multi-agent, the theoretical background of CAS, and summarizes the sources of technological innovation, the elements of each subject, and the main clusters of adaptive interactions and innovation activities. The concept of multi-agents is applied through the linkages of enterprises, research institutions, and government agencies with the leading enterprises in industrial settings. The study was exploratory and based on CAS theory. Theoretical model is built by considering technological and innovation literature from foundational to state of the art projects of technological enterprises. On this basis, the theoretical model is developed to measure the evolution mechanism of the enterprise's technological innovation capability system. This paper concludes that the main characteristics for evolution in technological systems are based on the enterprise’s research and development personnel, investments in technological processes, and innovation resources are responsible for the evolution of enterprise technological innovation performance. The research specifically enriched the application process of technological innovation in institutional networks related to enterprises.Keywords: complex adaptive system, echo model, enterprise technological innovation capability system, research institutions, multi-agents
Procedia PDF Downloads 1421443 Municipal Solid Waste Management in Ethiopia: Systematic Review of Physical and Chemical Compositions and Generation Rate
Authors: Tsegay Kahsay Gebrekidan, Gebremariam Gebrezgabher Gebremedhin, Abraha Kahsay Weldemariam, Meaza Kidane Teferi
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Municipal solid waste management (MSWM) in Ethiopia is a complex issue with institutional, social, political, environmental, and economic dimensions, impacting sustainable development. Effective MSWM planning necessitates understanding the generation rate and composition of waste. This systematic review synthesizes qualitative and quantitative data from various sources to aggregate current knowledge, identify gaps, and provide a comprehensive understanding of municipal solid waste management in Ethiopia. The findings reveal that the generation rate of municipal solid waste in Ethiopia is 0.38 kg/ca/day, with the waste composition being predominantly food waste, followed by ash, dust, and sand, and yard waste. Over 85% of this MSW is either reusable or recyclable, with a significant portion being organic matter (73.13% biodegradable) and 11.78% recyclable materials. Physicochemical analyses reveal that Ethiopian MSW is suitable for composting and biogas production, offering opportunities to reduce environmental pollution, and GHGs, support urban agriculture, and create job opportunities. However; challenges persist, including a lack of political will, weak municipal planning, limited community awareness, and inadequate waste management infrastructure, and only 31.8% of MSW is collected legally, leading to inefficient and harmful disposal practices. To improve MSWM, Ethiopia should focus on public awareness; increased funding, infrastructure investment, private sector partnerships, and implementing the 4 R principles (reduce, reuse, and recycle). An integrated approach involving government, industry, and civil society is essential. Further research on the physicochemical properties and strategic uses of MSW is needed to enhance management practices. Implications: The comprehensive study of municipal solid waste management (MSWM) in Ethiopia reveals the intricate interplay of institutional, social, political, environmental, and economic factors that influence the nation’s sustainable development. The findings underscore the urgent need for tailored, integrated waste management strategies that are informed by a thorough understanding of MSW generation rates, composition, and current management practices. Ethiopia’s lower per capita MSW generation compared to developed countries and the predominantly organic composition of its waste present significant opportunities for sustainable waste management practices such as composting and recycling. These practices can not only minimize the environmental impact but also support urban greening, agriculture, and renewable energy production. The high organic content, suitable physicochemical properties of MSW for composting, and potential for biogas and briquette production highlight pathways for creating employment, reducing waste, and enhancing soil fertility. Despite these opportunities, Ethiopia faces substantial challenges due to inadequate political will, weak municipal planning, limited community awareness, insufficient waste management infrastructure, and poor policy implementation. The high rate of illegal waste disposal further exacerbates environmental and health issues, emphasizing the need for a more effective and integrated MSWM approach. To address these challenges and harness the potential of MSW, Ethiopia must prioritize increasing public awareness; investing in infrastructure, fostering private sector partnerships, and implementing the principles of reduce, reuse, and recycle (3 R). Developing strategies that involve all stakeholders and turning waste into valuable resources is crucial. Government, industry, and civil society must collaborate to implement integrated MSWM systems that focus on waste reduction at the source, alternative material use, and advanced recycling technologies. Further research at both federal and regional levels is essential to optimize the physicochemical analysis and strategic use of MSW. Prompt action is required to transform waste management into a pillar of sustainable urban development, ultimately improving environmental quality and human health in Ethiopia.Keywords: biodegradable, healthy environment, integrated solid waste management, municipal
Procedia PDF Downloads 251442 Legal Pluralism and Land Administration in West Sumatra: The Implementation of the Regulations of Both Local and Nagari Governments on Communal Land Tenure
Authors: Hilaire Tegnan
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Land administration has always been a delicate issue in the history of nations, and Indonesia, a country where a significant number of the population lives a pastoral life is not exempt from this reality. This paper discusses land tenure issues in West Sumatra, an Indonesian province which is home to the Minangkabau people with their long existing village management system known as Nagari, established to settle disputes based on adat (custom) principles as well as to protect the rights of the community members. These rights include communal land (referred to as tanahulayat hereafter). Long before the Dutch occupation of Indonesian archipelago, the nagari government was vested with powers to regulate communal land in West Sumatra. However, this authority was constantly overlooked by the then Dutch colonial administration as well as the post-independence governments (both central and regional). To reinforce the Nagari government as the guardian of the customary law (hukumadat) and to specify its jurisdiction, the Regional Government of West Sumatra enacted two laws between 2000 and 2008: Law No. 9/2000 repealed by Law No. 2/2007 and Law No. 6/2008 on communal land tenure. Although these two laws provide legal grounds to address land issues across the region, land conflicts still prevail among West Sumatran populations due to unsynchronized and contradictory regulations. The protests against the army (Korem) in Nagari Kapalo Hilalang, against the oil palm company in Nagari Kinali, and against a cement factory in Nagari Lubuk Kilangan are cited in this paper as case references.Keywords: local government, Nagari government, Tanah Ulayat, legal pluralism, land administration
Procedia PDF Downloads 5111441 Review of Existing Pumped Storage Technologies and their Application in the Case of Bistrica Pump Storage Plant
Authors: Dušan Bojović, Wei Huang, Zdravko Stojanović, Jovan Ilić
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In an era of ever-growing electricity generation from renewable energy sources, namely wind and solar, a need for reliable energy storage and intensive balancing of the electric power system gains significance. For decades, pump storage hydroelectric power plants have proven to be an important asset regarding the storage of generated electricity. However, with the increasing overall share of wind and solar in electric systems at large, the importance of electric grid stability keeps growing. A large pump storage project, the Bistrica Pump Storage Plant (PSP), is currently under development in Serbia. The Bistrica PSP will be designed as a 600+ MW power plant, which is envisaged as a significant contributor to the Serbian power grid stability as more and more renewable energy sources are implemented over time. PSP Bistrica is seen as a strategically important project on the green agenda path of the Electric Power Industry of Serbia as a necessary pre-condition for the safe implementation of other renewable energy sources. The importance of such a plant would also play an important role in reducing the electricity production from coal, i.e., thermoelectric power plants. During the project’s development, various techniques and technologies are evaluated for the purpose of determining the optimum (the most profitable) solution. Over the course of this paper, these technologies – such as frequency-regulated pump turbines and ternary sets will be presented, with a detailed explanation of their possible application within the Bistrica PSP project and their relative advantages/disadvantages in this particular case.Keywords: hydraulic turbines, pumped storage, renewable energy, competing technologies
Procedia PDF Downloads 961440 History of Textiles and Fashion: Gender Symbolism in the Context of Colour
Authors: Damayanthie Eluwawalage
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Historically, the color-coded attire demarcated differences, for example, differences in social position and differences in gender, etc. Distinctive colors are worn by different classes in medieval England. By the twentieth-century Western society, certain colors were firmly associated with the specific gender; as pink for girls, and blue for boys. The color-coded gender phenomenon was a novelty at the turn of the twentieth-century and became widely practiced after World War II. Prior to that era, there were no distinctions or differences in the dress of younger children, in relation to their gender. In the nineteenth century, pink suits were highly acceptable for gentlemen’s attire. Frenchmen in the eighteenth-century wore colors with an infinite range of hues like pink, plum, white, cream, blue, yellow, puce and sea green. Nineteenth-century European male austerity, primarily caused by the usage of sombre colors such as black, white and grey, has been described as an element for dignity, control and morality. In the nineteenth century, there were many color-associated distinctions, as certain colors were reserved for the unmarried, the single or the aged. Two luminous colors in one dress was ‘vulgar’ and yellow was generally regarded as unladylike. Yellow was the color utilised for most correctional attire. Orange was prohibited for the unmarried. Fashionable dressing in the nineteenth century was more gender-differentiated than in previous centuries. Masculine austerity, emphasized a shift in class relations. As a result of that shift, male attire became more uniform, homogeneous and integrated (amongst the classes), than its traditional hierarchal approach.Keywords: textiles, fashion, gender symbolism, color
Procedia PDF Downloads 4961439 Evaluation of Neonicotinoids Against Sucking Insect Pests of Cotton in Laboratory and Field Conditions
Authors: Muhammad Sufyan, Muhammad D. Gogi, Muhammad Arshad, Ahmad Nawaz, Muhammad Usman
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Cotton (Gossypium hirsutum) universally known as silver fiber and is one of the most important cash crop of Pakistan. A wide array of pests constraints cotton production among which sucking insect pests cause serious losses. Mostly new chemistry insecticides used to control a wide variety of insect pests including sucking insect pests. In the present study efficacy of different neonicotinoids was evaluated against sucking insect pests of cotton in the field and in laboratory for red and dusky cotton bug. The experiment was conducted at Entomology Research Station, University of Agriculture Faisalabad, in a Randomized Complete Block Design (RCBD). Field trial was conducted to evaluate the efficacy of Confidence Ultra (Imidacloprid) 70% SL, Confidor (Imidacloprid) 20% SL, Kendo (Lambda cyhalothrin) 24.7 SC, Actara (Thiamethoxam) 25% WG, Forcast (Tebufenozide+ Emamectin benzoate) 8.8 EW and Timer (Emamectin benzoate) 1.9 EC at their recommended doses. The data was collected on per leaf basis of thrips, aphid, jassid and whitefly before 24 hours of spray. The post treatment data was recorded after 24, 48 and 72 hours. The fresh, non-infested and untreated cotton leaves was collected from the field and brought to the laboratory to assess the efficacy of neonicotinoids against red and dusky cotton bug. After data analysis all the insecticides were found effective against sucking pests. Confidence Ultra was highly effective against the aphid, jassid, and whitefly and gave maximum mortality, while showed non-significant results against thrips. In case of aphid plot which was treated with Kando 24.7 SC showed significant mortality after 72 hours of pesticide application. Similar trends were found in laboratory conditions with all these treatments by making different concentrations and had significant impact on dusky cotton bug and red cotton bug population after 24, 48 and 72 hours after application.Keywords: cotton, laboratory and field conditions, neonicotinoids, sucking insect pests
Procedia PDF Downloads 2471438 DNA-Polycation Condensation by Coarse-Grained Molecular Dynamics
Authors: Titus A. Beu
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Many modern gene-delivery protocols rely on condensed complexes of DNA with polycations to introduce the genetic payload into cells by endocytosis. In particular, polyethyleneimine (PEI) stands out by a high buffering capacity (enabling the efficient condensation of DNA) and relatively simple fabrication. Realistic computational studies can offer essential insights into the formation process of DNA-PEI polyplexes, providing hints on efficient designs and engineering routes. We present comprehensive computational investigations of solvated PEI and DNA-PEI polyplexes involving calculations at three levels: ab initio, all-atom (AA), and coarse-grained (CG) molecular mechanics. In the first stage, we developed a rigorous AA CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field (FF) for PEI on the basis of accurate ab initio calculations on protonated model pentamers. We validated this atomistic FF by matching the results of extensive molecular dynamics (MD) simulations of structural and dynamical properties of PEI with experimental data. In a second stage, we developed a CG MARTINI FF for PEI by Boltzmann inversion techniques from bead-based probability distributions obtained from AA simulations and ensuring an optimal match between the AA and CG structural and dynamical properties. In a third stage, we combined the developed CG FF for PEI with the standard MARTINI FF for DNA and performed comprehensive CG simulations of DNA-PEI complex formation and condensation. Various technical aspects which are crucial for the realistic modeling of DNA-PEI polyplexes, such as options of treating electrostatics and the relevance of polarizable water models, are discussed in detail. Massive CG simulations (with up to 500 000 beads) shed light on the mechanism and provide time scales for DNA polyplex formation independence of PEI chain size and protonation pattern. The DNA-PEI condensation mechanism is shown to primarily rely on the formation of DNA bundles, rather than by changes of the DNA-strand curvature. The gained insights are expected to be of significant help for designing effective gene-delivery applications.Keywords: DNA condensation, gene-delivery, polyethylene-imine, molecular dynamics.
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