Search results for: theoretical chemistry
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3983

Search results for: theoretical chemistry

2813 Keeping Education Non-Confessional While Teaching Children about Religion

Authors: Tünde Puskás, Anita Andersson

Abstract:

This study is part of a research project about whether religion is considered as part of Swedish cultural heritage in Swedish preschools. Our aim in this paper is to explore how a Swedish preschool balance between keeping the education non-confessional and at the same time teaching children about a particular tradition, Easter.The paper explores how in a Swedish preschool with a religious profile teachers balance between keeping education non-confessional and teaching about a tradition with religious roots. The point of departure for the theoretical frame of our study is that practical considerations in pedagogical situations are inherently dilemmatic. The dilemmas that are of interest for our study evolve around formalized, intellectual ideologies, such us multiculturalism and secularism that have an impact on everyday practice. Educational dilemmas may also arise in the intersections of the formalized ideology of non-confessionalism, prescribed in policy documents and the common sense understandings of what is included in what is understood as Swedish cultural heritage. In this paper, religion is treated as a human worldview that, similarly to secular ideologies, can be understood as a system of thought. We make use of Ninian Smart's theoretical framework according to which in modern Western world religious and secular ideologies, as human worldviews, can be studied from the same analytical framework. In order to be able to study the distinctive character of human worldviews Smart introduced a multi-dimensional model within which the different dimensions interact with each other in various ways and to different degrees. The data for this paper is drawn from fieldwork carried out in 2015-2016 in the form of video ethnography. The empirical material chosen consists of a video recording of a specific activity during which the preschool group took part in an Easter play performed in the local church. The analysis shows that the policy of non-confessionalism together with the idea that teaching covering religious issues must be purely informational leads in everyday practice to dilemmas about what is considered religious. At the same time what the adults actually do with religion fulfills six of seven dimensions common to religious traditions as outlined by Smart. What we can also conclude from the analysis is that whether it is religion or a cultural tradition that is thought through the performance the children watched in the church depends on how the concept of religion is defined. The analysis shows that the characters of the performance themselves understood religion as the doctrine of Jesus' resurrection from the dead. This narrow understanding of religion enabled them indirectly to teach about the traditions and narratives surrounding Easter while avoiding teaching religion as a belief system.

Keywords: non-confessional education, preschool, religion, tradition

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2812 Quantitative Evaluation of Efficiency of Surface Plasmon Excitation with Grating-Assisted Metallic Nanoantenna

Authors: Almaz R. Gazizov, Sergey S. Kharintsev, Myakzyum Kh. Salakhov

Abstract:

This work deals with background signal suppression in tip-enhanced near-field optical microscopy (TENOM). The background appears because an optical signal is detected not only from the subwavelength area beneath the tip but also from a wider diffraction-limited area of laser’s waist that might contain another substance. The background can be reduced by using a taper probe with a grating on its lateral surface where an external illumination causes surface plasmon excitation. It requires the grating with parameters perfectly matched with a given incident light for effective light coupling. This work is devoted to an analysis of the light-grating coupling and a quest of grating parameters to enhance a near-field light beneath the tip apex. The aim of this work is to find the figure of merit of plasmon excitation depending on grating period and location of grating in respect to the apex. In our consideration the metallic grating on the lateral surface of the tapered plasmonic probe is illuminated by a plane wave, the electric field is perpendicular to the sample surface. Theoretical model of efficiency of plasmon excitation and propagation toward the apex is tested by fdtd-based numerical simulation. An electric field of the incident light is enhanced on the grating by every single slit due to lightning rod effect. Hence, grating causes amplitude and phase modulation of the incident field in various ways depending on geometry and material of grating. The phase-modulating grating on the probe is a sort of metasurface that provides manipulation by spatial frequencies of the incident field. The spatial frequency-dependent electric field is found from the angular spectrum decomposition. If one of the components satisfies the phase-matching condition then one can readily calculate the figure of merit of plasmon excitation, defined as a ratio of the intensities of the surface mode and the incident light. During propagation towards the apex, surface wave undergoes losses in probe material, radiation losses, and mode compression. There is an optimal location of the grating in respect to the apex. One finds the value by matching quadratic law of mode compression and the exponential law of light extinction. Finally, performed theoretical analysis and numerical simulations of plasmon excitation demonstrate that various surface waves can be effectively excited by using the overtones of a period of the grating or by phase modulation of the incident field. The gratings with such periods are easy to fabricate. Tapered probe with the grating effectively enhances and localizes the incident field at the sample.

Keywords: angular spectrum decomposition, efficiency, grating, surface plasmon, taper nanoantenna

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2811 Model of the Increasing the Capacity of the Train and Railway Track by Using the New Type of Wagon

Authors: Martin Kendra, Jaroslav Mašek, Juraj Čamaj, Martin Búda

Abstract:

The paper deals with possibilities of increase train capacity by using a new type of railway wagon. In the first part is created a mathematical model to calculate the capacity of the train. The model is based on the main limiting parameters of the train - maximum number of axles per train, the maximum gross weight of the train, the maximum length of train and number of TEUs per one wagon. In the second part is the model applied to four different model trains with different composition of the train set and three different average weights of TEU and a train consisting of a new type of wagons. The result is to identify where the carrying capacity of the original trains is higher, respectively less than a capacity of the train consisting of a new type of wagons.

Keywords: loading units, theoretical capacity model, train capacity, wagon for intermodal transport

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2810 Encouraging the Development of Scientific Literacy in Early Childhood Institutions: Croatian Experience

Authors: L. Vujičić, Ž. Ivković, Ž. Boneta

Abstract:

There is a widespread belief in everyday discourse that science subjects (physics, chemistry and biology) are, along with math, the most difficult school subjects in the education of an individual. This assumption is usually justified by the following facts: low GPA in these subjects, the number of pupils who fail these subjects is high in comparison to other subjects, and the number of pupils interested in continuing their studies in the fields with a focus on science subjects is lower compared to non-science-oriented fields. From that perspective, the project: “Could it be different? How do children explore it?” becomes extremely interesting because it is focused on young children and on the introduction of new methods, with aim of arousing interest in scientific literacy development in 10 kindergartens by applying the methodology of an action research, with an ethnographic approach. We define scientific literacy as a process of encouraging and nurturing the research and explorative spirit in children, as well as their natural potential and abilities that represent an object of scientific research: to learn about exploration by conducting exploration. Upon project completion, an evaluation questionnaire was created for the parents of the children who had participated in the project, as well as for those whose children had not been involved in the project. The purpose of the first questionnaire was to examine the level of satisfaction with the project implementation and its outcomes among those parents whose children had been involved in the project (N=142), while the aim of the second questionnaire was to find out how much the parents of the children not involved (N=154) in this activity were interested in this topic.

Keywords: documenting, early childhood education, evaluation questionnaire for parents, scientific literacy development

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2809 Family Business Succession through the Eye of the Upper Echelon Theory: A Phenomenological Approach

Authors: Ruswiati Suryasaputra, Linda Salim

Abstract:

This concept paper, initially a proposal for the completion of the degree of Doctor of Philosophy, is seeking to gain more understanding of family business succession in order to extend the average lifespan of family business that has shrunken significantly for the past 20 years. While multitude studies have been done in family business succession, the average lifespan of a family business continues to decline sharply over the past two decades to only 24 years, or 1.5 generations, in 2010, from 50-60 years, equivalent to 3 generations, as recently as 1990. While the qualitative approach of this study will not churn a theoretical framework unique to the family business field, it will bring to the surface important issues during a family business succession process that have been hidden behind the mostly profit-making issues that have been the main highlight of the family business field.

Keywords: family business, succession, nepotism, family studies

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2808 Customers’ Acceptability of Islamic Banking: Employees’ Perspective in Peshawar

Authors: Tahira Imtiaz, Karim Ullah

Abstract:

This paper aims to incorporate the banks employees’ perspective on acceptability of Islamic banking by the customers of Peshawar. A qualitative approach is adopted for which six in-depth interviews with employees of Islamic banks are conducted. The employees were asked to share their experience regarding customers’ acceptance attitude towards acceptability of Islamic banking. Collected data was analyzed through thematic analysis technique and its synthesis with the current literature. Through data analysis a theoretical framework is developed, which highlights the factors which drive customers towards Islamic banking, as witnessed by the employees. The practical implication of analyzed data evident that a new model could be developed on the basis of four determinants of human preference namely: inner satisfaction, time, faith and market forces.

Keywords: customers’ attraction, employees’ perspective, Islamic banking, Riba

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2807 Modeling of Coagulation Process for the Removal of Carbofuran in Aqueous Solution

Authors: Roli Saini, Pradeep Kumar

Abstract:

A coagulation/flocculation process was adopted for the reduction of carbamate insecticide (carbofuran) from aqueous solution. Ferric chloride (FeCl3) was used as a coagulant to treat the carbofuran. To exploit the reduction efficiency of pesticide concentration and COD, the jar-test experiments were carried out and process was optimized through response surface methodology (RSM). The effects of two independent factors; i.e., FeCl3 dosage and pH on the reduction efficiency were estimated by using central composite design (CCD). The initial COD of the 30 mg/L concentrated solution was found to be 510 mg/L. Results exposed that the maximum reduction occurred at an optimal condition of FeCl3 = 80 mg/L, and pH = 5.0, from which the reduction of concentration and COD 75.13% and 65.34%, respectively. The present study also predicted that the obtained regression equations could be helpful as the theoretical basis for the coagulation process of pesticide wastewater.

Keywords: carbofuran, coagulation, optimization, response surface methodology

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2806 Multi-Period Portfolio Optimization Using Predictive Machine Learning Models

Authors: Peng Liu, Chyng Wen Tee, Xiaofei Xu

Abstract:

This paper integrates machine learning forecasting techniques into the multi-period portfolio optimization framework, enabling dynamic asset allocation based on multiple future periods. We explore both theoretical foundations and practical applications, employing diverse machine learning models for return forecasting. This comprehensive guide demonstrates the superiority of multi-period optimization over single-period approaches, particularly in risk mitigation through strategic rebalancing and enhanced market trend forecasting. Our goal is to promote wider adoption of multi-period optimization, providing insights that can significantly enhance the decision-making capabilities of practitioners and researchers alike.

Keywords: multi-period portfolio optimization, look-ahead constrained optimization, machine learning, sequential decision making

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2805 Factors Affecting General Practitioners’ Transfer of Specialized Self-Care Knowledge to Patients

Authors: Weidong Xia, Malgorzata Kolotylo, Xuan Tan

Abstract:

This study examines the key factors that influence general practitioners’ learning and transfer of specialized arthritis knowledge and self-care techniques to patients during normal patient visits. Drawing on the theory of planed behavior and using matched survey data collected from general practitioners before and after training sessions provided by specialized orthopedic physicians, the study suggests that the general practitioner’s intention to use and transfer learned knowledge was influenced mainly by intrinsic motivation, organizational learning culture and absorptive capacity, but was not influenced by extrinsic motivation. The results provide both theoretical and practical implications.

Keywords: empirical study, healthcare knowledge management, patient self-care, physician knowledge transfer

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2804 Continuous Processing Approaches for Tunable Asymmetric Photochemical Synthesis

Authors: Amanda C. Evans

Abstract:

Enabling technologies such as continuous processing (CP) approaches can provide the tools needed to control and manipulate reactivities and transform chemical reactions into micro-controlled in-flow processes. Traditional synthetic approaches can be radically transformed by the application of CP, facilitating the pairing of chemical methodologies with technologies from other disciplines. CP supports sustainable processes that controllably generate reaction specificity utilizing supramolecular interactions. Continuous photochemical processing is an emerging field of investigation. The use of light to drive chemical reactivity is not novel, but the controlled use of specific and tunable wavelengths of light to selectively generate molecular structure under continuous processing conditions is an innovative approach towards chemical synthesis. This investigation focuses on the use of circularly polarized (cp) light as a sustainable catalyst for the CP generation of asymmetric molecules. Chiral photolysis has already been achieved under batch, solid-phase conditions: using synchrotron-sourced cp light, asymmetric photolytic selectivities of up to 4.2% enantiomeric excess (e.e.) have been reported. In order to determine the optimal wavelengths to use for irradiation with cp light for any given molecular building block, CD and anisotropy spectra for each building block of interest have been generated in two different solvents (water, hexafluoroisopropanol) across a range of wavelengths (130-400 nm). These spectra are being used to support a series of CP experiments using cp light to generate enantioselectivity.

Keywords: anisotropy, asymmetry, flow chemistry, active pharmaceutical ingredients

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2803 Corporate Life Cycle and Corporate Social Responsibility Performance: Empirical Evidence from Pharmaceutical Industry in China

Authors: Jing (Claire) LI

Abstract:

The topic of corporate social responsibility (CSR) is significant for pharmaceutical companies in China at this current stage. This is because, as a rapid growth industry in China in recent years, the pharmaceutical industry in China has been undergone continuous and terrible incidents relating to CSR. However, there is limited research and practice of CSR in Chinese pharmaceutical companies. Also, there is an urgent call for more research in an international context to understand the implications of corporate life cycle on CSR performance. To respond to the research need and research call, this study examines the relationship between corporate life cycle and CSR performance of Chinese listed companies in pharmaceutical industry. This research studies Chinese listed companies in pharmaceutical industry for the period of 2010-2017, where the data is available in database. Following the literature, this study divides CSR performance with regards to CSR dimensions, including shareholders, creditors, employees, customers, suppliers, the government, and the society. This study uses CSR scores of HEXUN database and financial measures of these CSR dimensions to measure the CSR performance. This study performed regression analysis to examine the relationship between corporate life cycle stages and CSR performance with regards to CSR dimensions for pharmaceutical listed companies in China. Using cash flow pattern as proxy of corporate life cycle to classify corporate life cycle stages, this study found that most (least) pharmaceutical companies in China are in maturity (decline) stage. This study found that CSR performance for most dimensions are highest (lowest) in maturity (decline) stage as well. Among these CSR dimensions, performing responsibilities for shareholder is the most important among all CSR responsibilities for pharmaceutical companies. This study is the first to provide important empirical evidence from Chinese pharmaceutical industry on the association between life cycle and CSR performance, supporting that corporate life cycle is a key factor in CSR performance. The study expands corporate life cycle and CSR literatures and has both empirical and theoretical contributions to the literature. From perspective of empirical contributions, the findings contribute to the argument that whether there is a relationship between CSR performance and various corporate life cycle stages in the literature. This study also provides empirical evidence that companies in different corporate life cycles have difference in CSR performance. From perspective of theoretical contributions, this study relates CSR and stakeholders to corporate life cycle stages and complements the corporate life cycle and CSR literature. This study has important implications for managers and policy makers. First, the results will be helpful for managers to have an understanding in the essence of CSR, and their company’s current and future CSR focus over corporate life cycle. This study provides a reference for their actions and may help them make more wise resources allocation decisions of CSR investment. Second, policy makers (in the government, stock exchanges, and securities commission) may consider corporate life cycle as an important factor in formulating future regulations for companies. Future research can explore the "process-based" differences in CSR performance and more industries.

Keywords: China, corporate life cycle, corporate social responsibility, pharmaceutical industry

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2802 Wavelet Based Advanced Encryption Standard Algorithm for Image Encryption

Authors: Ajish Sreedharan

Abstract:

With the fast evolution of digital data exchange, security information becomes much important in data storage and transmission. Due to the increasing use of images in industrial process, it is essential to protect the confidential image data from unauthorized access. As encryption process is applied to the whole image in AES ,it is difficult to improve the efficiency. In this paper, wavelet decomposition is used to concentrate the main information of image to the low frequency part. Then, AES encryption is applied to the low frequency part. The high frequency parts are XORed with the encrypted low frequency part and a wavelet reconstruction is applied. Theoretical analysis and experimental results show that the proposed algorithm has high efficiency, and satisfied security suits for image data transmission.

Keywords: discrete wavelet transforms, AES, dynamic SBox

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2801 First Principle Calculations of Magnetic and Electronic Properties of Double Perovskite Ba2MnMoO6

Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Souidi, A. Abbad, T. Lantri, Z. Aziz, A. Zitouni

Abstract:

The electronic and magnetic structures of double perovskite Ba2MnMoO6 are systematically investigated using the first principle method of the Full Potential Linear Augmented Plane Waves Plus the Local Orbitals (FP-LAPW+LO) within the Local Spin Density Approximation (LSDA) and the Generalized Gradient Approximation (GGA). In order to take into account the strong on-site Coulomb interaction, we included the Hubbard correlation terms: LSDA+U and GGA+U approaches. Whereas half-metallic ferromagnetic character is observed due to dominant Mn spin-up and Mo spin-down contributions insulating ground state is obtained. The LSDA+U and GGA+U calculations yield better agreement with the theoretical and the experimental results than LSDA and GGA do.

Keywords: electronic structure, double perovskite, first principles, Ba2MnMoO6, half-metallic

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2800 Phase Segregating and Complex Forming Pb Based (=X-Pb) Liquid Alloys

Authors: Indra Bahadur Bhandari, Narayan Panthi, Ishwar Koirala, Devendra Adhikari

Abstract:

We have used a theoretical model based on the assumption of compound formation in binary alloys to study the thermodynamic, microscopic, and surface properties of Bi-Pb and In-Pb liquid alloys. A review of the phase diagrams for these alloys shows that one of the stable complexes for Bi-Pb liquid alloy is BiPb3; also, that InPb is a stable phase in liquid In-Pb alloys. Using the same interaction parameters that are fitted for the free energy of mixing, we have been able to compute the bulk and thermodynamic properties of the alloys. From our observations, we are able to show that the Bi-Pb liquid alloy exhibits compound formation over the whole concentration range and the In-Pb alloys undergo phase separation. With regards to surface properties, Pb segregates more to the surface in In-Pb alloys than in Bi-Pb alloys. The viscosity isotherms have a positive deviation from ideality for both Bi-Pb and In-Pb alloys.

Keywords: asymmetry, Bi-Pb, deviation, In-Pb, interaction parameters

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2799 Oscillatory Electroosmotic Flow in a Microchannel with Slippage at the Walls and Asymmetric Wall Zeta Potentials

Authors: Oscar Bautista, Jose Arcos

Abstract:

In this work, we conduct a theoretical analysis of an oscillatory electroosmotic flow in a parallel-plate microchannel taking into account slippage at the microchannel walls. The governing equations given by the Poisson-Boltzmann (with the Debye-Huckel approximation) and momentum equations are nondimensionalized from which four dimensionless parameters appear; a Reynolds angular number, the ratio between the zeta potentials of the microchannel walls, the electrokinetic parameter and the dimensionless slip length which measures the competition between the Navier slip length and the half height microchannel. The principal results indicate that the slippage has a strong influence on the magnitude of the oscillatory electroosmotic flow increasing the velocity magnitude up to 50% for the numerical values used in this work.

Keywords: electroosmotic flows, oscillatory flow, slippage, microchannel

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2798 Yoga for Holistic Health Wellbeing

Authors: Pothula Madhusudhan Reddy

Abstract:

Introduction: Yoga is a way of life. of uniting the mind, body and soul. It is also an art of living the right way. The techniques of Yoga are very practical, so they can always be applied. This is the reason why Yoga has been practiced for thousands of years and is still valid today. Importance of Yoga: Yoga that helps to inculcate healthy habits and adopt a healthy lifestyle to achieve good health Research Aim: The aim of this study is to explore the potential benefits of yoga for holistic health and wellbeing, both at an individual and societal level The ultimate goal of human being is to attain the state of perfect freedom from the shackles of ignorance, which is the generator of all the pangs and miseries of life. Methodology: This research follows a thematic and practical experience approach. Yoga includes body postures and movements (stretching), breathing practices, imagery, meditation, and progressive relaxation techniques. Data Collection: The data for this research is collected through a combination of literature review, expert interviews, and practical yoga sessions. The literature review provides a comprehensive understanding of the principles and practices of yoga, while expert interviews offer insights from experienced practitioners. Practical yoga sessions allow for first hand experiences and observations, facilitating a deeper understanding of the subject matter. Analysis Procedures: The collected data is analyzed thematically, where key themes and patterns related to the benefits and effects of yoga on holistic health and wellbeing are identified. The findings are then interpreted and synthesized to draw meaningful conclusions. Questions Addressed: This research addresses the following questions: What are the potential benefits of yoga for holistic health and wellbeing? How does yoga promote rejuvenate the body, mind, and senses? What are the implications of a society embracing yoga for overall societal wellbeing and happiness? Findings: The research highlights that practicing yoga can lead to increased awareness of the body, mind, and senses. It promotes overall physical and mental health, helping individuals achieve a state of happiness and contentment. Moreover, the study emphasizes that a society embracing yoga can contribute to the development of a healthy and happy community. Theoretical Importance: The study of yoga for holistic health and wellbeing holds theoretical importance as it provides insights into the science of yoga and its impact on individuals and society. It contributes to the existing body of knowledge on the subject and further establishes yoga as a potential tool for enhancing overall wellness. Conclusion: The study concludes that yoga is a powerful practice for achieving holistic health and wellbeing. This research provides valuable insights into the science of yoga and its potential as a tool for promoting overall wellness.

Keywords: yoga, asana, pranayama, meditation

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2797 Moderating Effects of Future Career Interest in Science and Gender on Students' Achievement in Basic Science in Oyo State, Nigeria

Authors: Segun Jacob Ogunkunle

Abstract:

The study examined the moderating effects of future career interest in science and gender on achievement in basic science of students taught in a simulated laboratory and enriched laboratory guide material environments. It adopted the pretest-posttest control group quasi experimental design with a 3x2x2 factorial matrix. A total of 277 (130 males, 147 females; ± 17 years) junior secondary three students randomly selected from six purposively selected secondary schools based on availability of functional computer and physics laboratories participated in the study. Data were collected using achievement test in basic science (r=0.87) and future career interest in science (r=0.99) while analysis of covariance and estimated marginal means were used to test three hypotheses at 0.05 level of significance. The findings of the study show that future career interest in science had significant effect on students’ achievement in basic science whereas gender did not. The interaction effect of future career interest in science and gender on students’ achievement in basic science was not significant. It is therefore recommended that prior knowledge of students’ future career interest in science could be used to improve participation in basic science practical in order to enhance achievement in biology, chemistry, and physics at the post-basic education level in Nigeria.

Keywords: future career interest in science, basic science, simulated laboratory, enriched laboratory guide materials, achievement in science

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2796 Approximation Algorithms for Peak-Demand Reduction

Authors: Zaid Jamal Saeed Almahmoud

Abstract:

Smart grid is emerging as the future power grid, with smart techniques to optimize power consumption and electricity generation. Minimizing peak power consumption under a fixed delay requirement is a significant problem in the smart grid.For this problem, all appliances must be scheduled within a given finite time duration. We consider the problem of minimizing the peak demand under appliances constraints by scheduling power jobs with uniform release dates and deadlines. As the problem is known to be NP-hard, we analyze the performance of a version of the natural greedy heuristic for solving this problem. Our theoretical analysis and experimental results show that the proposed heuristic outperforms existing methods by providing a better approximation to the optimal solution.

Keywords: peak demand scheduling, approximation algorithms, smart grid, heuristics

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2795 Comparison of Quality Indices for Sediment Assessment in Ireland

Authors: Tayyaba Bibi, Jenny Ronan, Robert Hernan, Kathleen O’Rourke, Brendan McHugh, Evin McGovern, Michelle Giltrap, Gordon Chambers, James Wilson

Abstract:

Sediment contamination is a major source of ecosystem stress and has received significant attention from the scientific community. Both the Water Framework Directive (WFD) and Marine Strategy Framework Directive (MSFD) require a robust set of tools for biological and chemical monitoring. For the MSFD in particular, causal links between contaminant and effects need to be assessed. Appropriate assessment tools are required in order to make an accurate evaluation. In this study, a range of recommended sediment bioassays and chemical measurements are assessed in a number of potentially impacted and lowly impacted locations around Ireland. Previously, assessment indices have been developed on individual compartments, i.e. contaminant levels or biomarker/bioassay responses. A number of assessment indices are applied to chemical and ecotoxicological data from the Seachange project (Project code) and compared including the metal pollution index (MPI), pollution load index (PLI) and Chapman index for chemistry as well as integrated biomarker response (IBR). The benefits and drawbacks of the use of indices and aggregation techniques are discussed. In addition to this, modelling of raw data is investigated to analyse links between contaminant and effects.

Keywords: bioassays, contamination indices, ecotoxicity, marine environment, sediments

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2794 Combating Malaria: A Drug Discovery Approach Using Thiazole Derivatives Against Prolific Parasite Enzyme PfPKG

Authors: Hari Bezwada, Michelle Cheon, Ryan Divan, Hannah Escritor, Michelle Kagramian, Isha Korgaonkar, Maya MacAdams, Udgita Pamidigantam, Richard Pilny, Eleanor Race, Angadh Singh, Nathan Zhang, LeeAnn Nguyen, Fina Liotta

Abstract:

Malaria is a deadly disease caused by the Plasmodium parasite, which continues to develop resistance to current antimalarial drugs. In this research project, the effectiveness of numerous thiazole derivatives was explored in inhibiting the PfPKG, a crucial part of the Plasmodium life cycle. This study involved the synthesis of six thiazole-derived amides to inhibit the PfPKG pathway. Nuclear Magnetic Resonance (NMR) spectroscopy and Infrared (IR) spectroscopy were used to characterize these compounds. Furthermore, AutoDocking software was used to predict binding affinities of these thiazole-derived amides in silico. In silico, compound 6 exhibited the highest predicted binding affinity to PfPKG, while compound 5 had the lowest affinity. Compounds 1-4 displayed varying degrees of predicted binding affinity. In-vitro, it was found that compound 4 had the best percent inhibition, while compound 5 had the worst percent inhibition. Overall, all six compounds had weak inhibition (approximately 30-39% at 10 μM), but these results provide a foundation for future drug discovery experiments.

Keywords: Medicinal Chemistry, Malaria, drug discovery, PfPKG, Thiazole, Plasmodium

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2793 Phytoplankton of the Atlantic Ocean, off Lagos, Nigeria

Authors: Ikenna Charles Onyema, Tolut Prince Bako

Abstract:

A study was carried out in the Atlantic Ocean off the Lighthouse Beach, Lagos. There were monthly and spatial variations in physical and chemical characteristics of the neritic ocean (August - December, 2014). Mean and standard deviation values for air temperature were 27. 67, ± 2.98 °C, water temperature (28.37 ± 1.88), pH (7.85 ± 0.17), conductivity (44738.75 ± 6262.76 µS/cm), total dissolved solids (29236.71 ± 4273.30 mg/L), salinity (27.11 ± 3.91 ‰), alkalinity (126.99 ± 42.81 mg/L) and chloride (15056. 67 ± 2165.78 mg/L). Higher estimates were recorded in the dry than wet months for these characteristics. On the other hand, reducing values were recorded for acidity (2.34 ± 0.63 mg/L), total hardness (4711.98 ± 691.50 mg/L), phosphate (1.1 ± 0.78 mg/L), sulphate (2601.99 ± 447.04 mg/L) and nitrate (0.12 ± 0.06 mg/L). Values for total suspended solids and biological oxygen demand values were low (<1mg/L). Twenty-one species of phytoplankton were recorded. Diatoms recorded 80.92% and were the dominant group. Hemidiscus cuneiformis, Coscinodiscus centralis, Coscinodiscus lineatus, Coscinodiscus radiatus and Oscillatoria limosa were more frequently occurring species. Biddulphia sinensis and four species of Ceratium, were representatives of the dry season. The dry season also recorded comparatively higher individuals of phytoplankton than the wet season. Spirogyra sp. (green algae) appeared only in the wet season. Species abundance (N) was highest in December at Station 1 (13.15%) (dry season) and lowest in August (wet season) at Station 3 (2.96%). The physico-chemical factors and phytoplankton reflected a tropical unpolluted neritic oceanic environment.

Keywords: sea, physico-chemistry, lighthouse beach, microalgae

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2792 Geometrically Linear Symmetric Free Vibration Analysis of Sandwich Beam

Authors: Ibnorachid Zakaria, El Bikri Khalid, Benamar Rhali, Farah Abdoun

Abstract:

The aim of the present work is to study the linear free symmetric vibration of three-layer sandwich beam using the energy method. The zigzag model is used to describe the displacement field. The theoretical model is based on the top and bottom layers behave like Euler-Bernoulli beams while the core layer like a Timoshenko beam. Based on Hamilton’s principle, the governing equation of motion sandwich beam is obtained in order to calculate the linear frequency parameters for a clamped-clamped and simple supported-simple-supported beams. The effects of material properties and geometric parameters on the natural frequencies are also investigated.

Keywords: linear vibration, sandwich, shear deformation, Timoshenko zig-zag model

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2791 The Effect of Metal-Organic Framework Pore Size to Hydrogen Generation of Ammonia Borane via Nanoconfinement

Authors: Jing-Yang Chung, Chi-Wei Liao, Jing Li, Bor Kae Chang, Cheng-Yu Wang

Abstract:

Chemical hydride ammonia borane (AB, NH3BH3) draws attentions to hydrogen energy researches for its high theoretical gravimetrical capacity (19.6 wt%). Nevertheless, the elevated AB decomposition temperatures (Td) and unwanted byproducts are main hurdles in practical application. It was reported that the byproducts and Td can be reduced with nanoconfinement technique, in which AB molecules are confined in porous materials, such as porous carbon, zeolite, metal-organic frameworks (MOFs), etc. Although nanoconfinement empirically shows effectiveness on hydrogen generation temperature reduction in AB, the theoretical mechanism is debatable. Low Td was reported in AB@IRMOF-1 (Zn4O(BDC)3, BDC = benzenedicarboxylate), where Zn atoms form closed metal clusters secondary building unit (SBU) with no exposed active sites. Other than nanosized hydride, it was also observed that catalyst addition facilitates AB decomposition in the composite of Li-catalyzed carbon CMK-3, MOF JUC-32-Y with exposed Y3+, etc. It is believed that nanosized AB is critical for lowering Td, while active sites eliminate byproducts. Nonetheless, some researchers claimed that it is the catalytic sites that are the critical factor to reduce Td, instead of the hydride size. The group physically ground AB with ZIF-8 (zeolitic imidazolate frameworks, (Zn(2-methylimidazolate)2)), and found similar reduced Td phenomenon, even though AB molecules were not ‘confined’ or forming nanoparticles by physical hand grinding. It shows the catalytic reaction, not nanoconfinement, leads to AB dehydrogenation promotion. In this research, we explored the possible criteria of hydrogen production temperature from nanoconfined AB in MOFs with different pore sizes and active sites. MOFs with metal SBU such as Zn (IRMOF), Zr (UiO), and Al (MIL-53), accompanying with various organic ligands (BDC and BPDC; BPDC = biphenyldicarboxylate) were modified with AB. Excess MOFs were used for AB size constrained in micropores estimated by revisiting Horvath-Kawazoe model. AB dissolved in methanol was added to MOFs crystalline with MOF pore volume to AB ratio 4:1, and the slurry was dried under vacuum to collect AB@MOF powders. With TPD-MS (temperature programmed desorption with mass spectroscopy), we observed Td was reduced with smaller MOF pores. For example, it was reduced from 100°C to 64°C when MOF micropore ~1 nm, while ~90°C with pore size up to 5 nm. The behavior of Td as a function of AB crystalline radius obeys thermodynamics when the Gibbs free energy of AB decomposition is zero, and no obvious correlation with metal type was observed. In conclusion, we discovered Td of AB is proportional to the reciprocal of MOF pore size, possibly stronger than the effect of active sites.

Keywords: ammonia borane, chemical hydride, metal-organic framework, nanoconfinement

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2790 Green Amphiphilic Nanostructures from CNSL

Authors: Ermelinda Bloise, Giuseppe Mele

Abstract:

In recent years, Cashew Nut Shell Liquid (CNSL) has received great attention from researchers because it is an abundant waste material from the agri-food industry that fits perfectly into the idea of reusing waste from renewable resources for the production of new functional materials. The different components of this waste showed a certain chemical versatility and, above all, various biological activities. Take advantage of their surface-active capacity in particular conditions, various amphiphilic nanostructures have been prepared through sustainable chemical processes using cardanol (CA) and anacardic acid (AA) as two main components of the CNSL. In-batch solvent-free method has been developed to obtain new versatile green nanovesicles capable of effectively incorporating and stabilizing both hydrophobic and hydrophilic bioactive molecules. Furthermore, these nanosystems have shown antioxidant and cytotoxic properties and, in vitroinvestigations, established that they efficiently taken-up some human cells. With the idea of meeting the principles of green chemistry, even more, some improvements of the synthetic procedure have been implemented in terms of milder temperature and pH conditions, producing one-component nanovesicles, in which the AA and CA-derivatives are the sole building block of the green nanosystems. Finally, a new experimental approach has been carried out by a microfluidic route, with the advantage to operate at continuous flows, with a reduced amount of reagents, waste, and at lower temperatures, ensuring the achievement of size-monodisperse amphiphilic nanostructures that do not need further purification steps.

Keywords: bioactive nanosystems, bio-based renewables, cashew oil, green nanoformulations

Procedia PDF Downloads 77
2789 Planning a European Policy for Increasing Graduate Population: The Conditions That Count

Authors: Alice Civera, Mattia Cattaneo, Michele Meoli, Stefano Paleari

Abstract:

Despite the fact that more equal access to higher education has been an objective public policy for several decades, little is known about the effectiveness of alternative means for achieving such goal. Indeed, nowadays, high level of graduate population can be observed both in countries with the high and low level of fees, or high and low level of public expenditure in higher education. This paper surveys the extant literature providing some background on the economic concepts of the higher education market, and reviews key determinants of demand and supply. A theoretical model of aggregate demand and supply of higher education is derived, with the aim to facilitate the understanding of the challenges in today’s higher education systems, as well as the opportunities for development. The model is validated on some exemplary case studies describing the different relationship between the level of public investment and levels of graduate population and helps to derive general implications. In addition, using a two-stage least squares model, we build a macroeconomic model of supply and demand for European higher education. The model allows interpreting policies shifting either the supply or the demand for higher education, and allows taking into consideration contextual conditions with the aim of comparing divergent policies under a common framework. Results show that the same policy objective (i.e., increasing graduate population) can be obtained by shifting either the demand function (i.e., by strengthening student aid) or the supply function (i.e., by directly supporting higher education institutions). Under this theoretical perspective, the level of tuition fees is irrelevant, and empirically we can observe high levels of graduate population in both countries with high (i.e., the UK) or low (i.e., Germany) levels of tuition fees. In practice, this model provides a conceptual framework to help better understanding what are the external conditions that need to be considered, when planning a policy for increasing graduate population. Extrapolating a policy from results in different countries, under this perspective, is a poor solution when contingent factors are not addressed. The second implication of this conceptual framework is that policies addressing the supply or the demand function needs to address different contingencies. In other words, a government aiming at increasing graduate population needs to implement complementary policies, designing them according to the side of the market that is interested. For example, a ‘supply-driven’ intervention, through the direct financial support of higher education institutions, needs to address the issue of institutions’ moral hazard, by creating incentives to supply higher education services in efficient conditions. By contrast, a ‘demand-driven’ policy, providing student aids, need to tackle the students’ moral hazard, by creating an incentive to responsible behavior.

Keywords: graduates, higher education, higher education policies, tuition fees

Procedia PDF Downloads 148
2788 Sintering Atmosphere Effects on the Densification of Al-SiC Compacts

Authors: Tadeusz Pieczonka, Jan Kazior

Abstract:

The influence of SiC powder addition on densification of Al-SiC compacts during sintering in different atmospheres was investigated. It was performed in a dilatometer in flowing nitrogen, nitrogen/hydrogen (95/5 by volume) and argon. Fine, F500 grade of SiC powder was used. Mixtures containing 10 and 30 vol.% of SiC reinforcement were prepared in a Turbula mixer. Green compacts of about 82% of theoretical density were made of each mixture. For comparison, compacts made of pure aluminum powder were also investigated. It was shown that nitrogen is the best sintering atmosphere because only in this atmosphere did shrinkage take place. Its amount is lowered by ceramic powder addition, i.e. the more SiC the less densification occurs. Additionally, the formation of clusters enhanced in compacts containing 30 vol.% SiC, is also responsible for limiting the shrinkage. Microstructural examinations of sintered composites revealed that sintering of compacts occurs in the presence of the liquid phase exclusively in nitrogen.

Keywords: Al-SiC composites, densification, sintering atmosphere, materials engineering

Procedia PDF Downloads 386
2787 Discursive Psychology of Emotions in Mediation

Authors: Katarzyna Oberda

Abstract:

The aim of this paper is to conceptual emotions in the process of mediation. Although human emotions have been approached from various disciplines and perspectives, e.g. philosophy, linguistics, psychology and neurology, this complex phenomenon still needs further investigation into its discursive character with the an open mind and heart. To attain this aim, the theoretical and practical considerations are taken into account both to contextualize the discursive psychology of emotions in mediation and show how cognitive and linguistic activity expressed in language may lead to the emotional turn in the process of mediation. The double directions of this research into the discursive psychology of emotions have been partially inspired by the evaluative components of mediation forms. In the conducted research, we apply the methodology of discursive psychology with the discourse analysis as a tool. The practical data come from the recorded mediations online. The major findings of the conducted research result in the reconstruction of the emotional transformation model in mediation.

Keywords: discourse analysis, discursive psychology, emotions, mediation

Procedia PDF Downloads 141
2786 A Research on Inference from Multiple Distance Variables in Hedonic Regression Focus on Three Variables

Authors: Yan Wang, Yasushi Asami, Yukio Sadahiro

Abstract:

In urban context, urban nodes such as amenity or hazard will certainly affect house price, while classic hedonic analysis will employ distance variables measured from each urban nodes. However, effects from distances to facilities on house prices generally do not represent the true price of the property. Distance variables measured on the same surface are suffering a problem called multicollinearity, which is usually presented as magnitude variance and mean value in regression, errors caused by instability. In this paper, we provided a theoretical framework to identify and gather the data with less bias, and also provided specific sampling method on locating the sample region to avoid the spatial multicollinerity problem in three distance variable’s case.

Keywords: hedonic regression, urban node, distance variables, multicollinerity, collinearity

Procedia PDF Downloads 449
2785 Current of Drain for Various Values of Mobility in the Gaas Mesfet

Authors: S. Belhour, A. K. Ferouani, C. Azizi

Abstract:

In recent years, a considerable effort (experience, numerical simulation, and theoretical prediction models) has characterised by high efficiency and low cost. Then an improved physics analytical model for simulating is proposed. The performance of GaAs MESFETs has been developed for use in device design for high frequency. This model is based on mathematical analysis, and a new approach for the standard model is proposed, this approach allowed to conceive applicable model for MESFET’s operating in the turn-one or pinch-off region and valid for the short-channel and the long channel MESFET’s in which the two dimensional potential distribution contributed by the depletion layer under the gate is obtained by conventional approximation. More ever, comparisons between the analytical models with different values of mobility are proposed, and a good agreement is obtained.

Keywords: analytical, gallium arsenide, MESFET, mobility, models

Procedia PDF Downloads 58
2784 Development of Ecofriendly Ionic Liquid Modified Reverse Phase Liquid Chromatography Method for Simultaneous Determination of Anti-Hyperlipidemic Drugs

Authors: Hassan M. Albishri, Fatimah Al-Shehri, Deia Abd El-Hady

Abstract:

Among the analytical techniques, reverse phase liquid chromatography (RPLC) is currently used in pharmaceutical industry. Ecofriendly analytical chemistry offers the advantages of decreasing the environmental impact with the advantage of increasing operator safety which constituted a topic of industrial interest. Recently, ionic liquids have been successfully used to reduce or eliminate the conventional organic toxic solvents. In the current work, a simple and ecofriendly ionic liquid modified RPLC (IL-RPLC) method has been firstly developed and compared with RPLC under acidic and neutral mobile phase conditions for simultaneous determination of atorvastatin-calcium, rosuvastatin and simvastatin. Several chromatographic effective parameters have been changed in a systematic way. Adequate results have been achieved by mixing ILs with ethanol as a mobile phase under neutral conditions at 1 mL/min flow rate on C18 column. The developed IL-RPLC method has been validated for the quantitative determination of drugs in pharmaceutical formulations. The method showed excellent linearity for analytes in a wide range of concentrations with acceptable precise and accurate data. The current IL-RPLC technique could have vast applications particularly under neutral conditions for simple and greener (bio)analytical applications of pharmaceuticals.

Keywords: ionic liquid, RPLC, anti-hyperlipidemic drugs, ecofriendly

Procedia PDF Downloads 241