Search results for: theoretical chemistry
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3968

Search results for: theoretical chemistry

3638 Theoretical Investigation on the Dynamic Characteristics of One Degree of Freedom Vibration System Equipped with Inerter of Variable Inertance

Authors: Barenten Suciu, Yoshiki Tsuji

Abstract:

In this paper, a theoretical investigation on the dynamic characteristics of one degree of freedom vibration system equipped with inerter of variable inertance, is presented. Differential equation of movement was solved under proper initial conditions in the case of free undamped/damped vibration, considered in the absence/presence of the inerter in the mechanical system. Influence of inertance on the amplitude of vibration, phase angle, natural frequency, damping ratio, and logarithmic decrement was clarified. It was mainly found that the inerter decreases the natural frequency of the undamped system and also of the damped system if the damping ratio is below 0.707. On the other hand, the inerter increases the natural frequency of the damped system if the damping ratio exceeds 0.707. Results obtained in this work are useful for the adequate design of inerters.

Keywords: damping, frequency control, inerter, one degree of freedom vibration system, parallel connection, variable inertance

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3637 Scientific Theoretical Fundamentals of Comparative Analysis

Authors: Khalliyeva Gulnoz Iskandarovna, Mannonova Feruzabonu Sherali Qizi

Abstract:

A scientific field called comparative literature or literary comparative studies compares two or more literary phenomena. One of the most important scientific fields nowadays, when global social, cultural, and literary relations are growing daily, is comparative literature. Any comparative investigation reveals shared and unique characteristics of literary phenomena, which provide the cornerstone for the creation of overarching theoretical principles that apply to all literature. Comparative analysis consists of objects, and they are their constituents. For researchers, it is enough to know this. Comparative analysis, in addition to the above-mentioned actions, also focuses on comparing the components of the objects of analysis with each other. The purpose of this article is to investigate comparative analysis in literature and to identify similarities and differences between comparable objects. Students, teachers, and researchers should be able to describe comparative research techniques and their fundamental ideas when studying this topic. They should also have a basic understanding of comparative literature and their summary.

Keywords: object, natural, social, spiritual, epistemological, logical, methodological, methodological, axiological tasks, stages of comparison, environment, internal features, and typical situations

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3636 Towards Establishing a Universal Theory of Project Management

Authors: Divine Kwaku Ahadzie

Abstract:

Project management (PM) as a concept has evolved from the early 20th Century into a recognized academic and professional discipline, and indications are that it has come to stay in the 21st Century as a world-wide paradigm shift for managing successful construction projects. However, notwithstanding the strong inroads that PM has made in legitimizing its academic and professional status in construction management practice, the underlining philosophies are still based on cases and conventional practices. An important theoretical issue yet to be addressed is the lack of a universal theory that offers philosophical legitimacy for the PM concept as a uniquely specialized management concept. Here, it is hypothesized that the law of entropy, the theory of uncertainties and the theory of risk management offer plausible explanations for addressing the lacuna of what constitute PM theory. The theoretical bases of these plausible underlying theories are argued and attempts made to establish the functional relationships that exist between these theories and the PM concept. The paper then draws on data related to the success and/or failure of a number of construction projects to validate the theory.

Keywords: concepts, construction, project management, universal theory

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3635 The Debacle of the Social Pact: Finding a New Theoretical Framework for Egalitarian Justice

Authors: Abosede Priscilla Ipadeola

Abstract:

The quest for egalitarian justice requires a suitable theoretical foundation that can address the problem of marginalization and subjugation arising from various forms of oppression, such as sexism, racism, classism, and others. Many thinkers and societies have appealed to contractarianism, a theory that has been widely regarded as a doctrine of egalitarianism by some political theorists for about five centuries. Despite its numerous criticisms, the social contract still enjoys a prominent status as a key theory for egalitarian justice. However, Pateman and Mills have contended that the contractarian approach legitimizes gender and racial inequalities by excluding and marginalizing women and people of color from the original agreement. Therefore, the social contract is incapable of generating or fostering equality. This study proposes postcontractarianism, which is a viable alternative to the social contract. Postcontractarianism argues that the basis for egalitarianism cannot be grounded on agreement but rather on understanding. Postcontractarianism draws on Jorge Nef’s idea of mutual vulnerability and Obiri (an African theory of cosmology) to argue for the imperative of social equality.

Keywords: postcontractarianism, obiri, mutual vulnerability, egalitarianism, the social contract

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3634 Experimental and Theoretical Characterization of Supramolecular Complexes between 7-(Diethylamino)Quinoline-2(1H)-One and Cucurbit[7] Uril

Authors: Kevin A. Droguett, Edwin G. Pérez, Denis Fuentealba, Margarita E. Aliaga, Angélica M. Fierro

Abstract:

Supramolecular chemistry is a field of growing interest. Moreover, studying the formation of host-guest complexes between macrocycles and dyes is highly attractive due to their potential applications. Examples of the above are drug delivery, catalytic process, and sensing, among others. There are different dyes of interest in the literature; one example is the quinolinone derivatives. Those molecules have good optical properties and chemical and thermal stability, making them suitable for developing fluorescent probes. Secondly, several macrocycles can be seen in the literature. One example is the cucurbiturils. This water-soluble macromolecule family has a hydrophobic cavity and two identical carbonyl portals. Additionally, the thermodynamic analysis of those supramolecular systems could help understand the affinity between the host and guest, their interaction, and the main stabilization energy of the complex. In this work, two 7-(diethylamino) quinoline-2 (1H)-one derivative (QD1-2) and their interaction with cucurbit[7]uril (CB[7]) were studied from an experimental and in-silico point of view. For the experimental section, the complexes showed a 1:1 stoichiometry by HRMS-ESI and isothermal titration calorimetry (ITC). The inclusion of the derivatives on the macrocycle lends to an upward shift in the fluorescence intensity, and the pKa value of QD1-2 exhibits almost no variation after the formation of the complex. The thermodynamics of the inclusion complexes was investigated using ITC; the results demonstrate a non-classical hydrophobic effect with a minimum contribution from the entropy term and a constant binding on the order of 106 for both ligands. Additionally, dynamic molecular studies were carried out during 300 ns in an explicit solvent at NTP conditions. Our finding shows that the complex remains stable during the simulation (RMSD ~1 Å), and hydrogen bonds contribute to the stabilization of the systems. Finally, thermodynamic parameters from MMPBSA calculations were obtained to generate new computational insights to compare with experimental results.

Keywords: host-guest complexes, molecular dynamics, quinolin-2(1H)-one derivatives dyes, thermodynamics

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3633 Sulfonic Acid Functionalized Ionic Liquid in Combinatorial Approach: A Recyclable and Water Tolerant-Acidic Catalyst for Friedlander Quinoline Synthesis

Authors: Jafar Akbari

Abstract:

Quinolines are very important compounds partially because of their pharmacological properties which include wide applications in medicinal chemistry. notable among them are antimalarial drugs, anti-inflammatory agents, antiasthamatic, antibacterial, antihypertensive, and tyrosine kinase inhibiting agents. Despite quinoline usage in pharmaceutical and other industries, comparatively few methods for their preparation have been reported.The Friedlander annulation is one of the simplest and most straightforward methods for the synthesis of poly substituted quinolines. Although, modified methods employing lewis or br¢nsted acids have been reported for the synthesis of quinolines, the development of water stable acidic catalyst for quinoline synthesis is quite desirable. One of the most remarkable features of ionic liquids is that the yields can be optimized by changing the anions or the cations. Recently, sulfonic acid functionalized ionic liquids were used as solvent-catalyst for several organic reactions. We herein report the one pot domino approach for the synthesis of quinoline derivatives in Friedlander manner using TSIL as a catalyst. These ILs are miscible in water, and their homogeneous system is readily separated from the reaction product, combining advantages of both homogeneous and heterogeneous catalysis. In this reaction, the catalyst plays a dual role; it ensures an effective condensation and cyclization of 2-aminoaryl ketone with second carbonyl group and it also promotes the aromatization to the final product. Various types of quinolines from 2-aminoaryl ketones and β-ketoesters/ketones were prepared in 85-98% yields using the catalytic system of SO3-H functionalized ionic liquid/H2O. More importantly, the catalyst could be easily recycled for five times without loss of much activity.

Keywords: antimalarial drugs, green chemistry, ionic liquid, quinolines

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3632 Investigation of Free Vibrations of Opened Shells from Alloy D19: Assistance of the Associated Mass System

Authors: Oleg Ye Sysoyev, Artem Yu Dobryshkin, Nyein Sitt Naing

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Cylindrical shells are widely used in the construction of buildings and structures, as well as in the air structure. Thin-walled casings made of aluminum alloys are an effective substitute for reinforced concrete and steel structures in construction. The correspondence of theoretical calculations and the actual behavior of aluminum alloy structures is to ensure their trouble-free operation. In the laboratory of our university, "Building Constructions" conducted an experimental study to determine the effect of the system of attached masses on the natural oscillations of shallow cylindrical shells of aluminum alloys, the results of which were compared with theoretical calculations. The purpose of the experiment is to measure the free oscillations of an open, sloping cylindrical shell for various variations of the attached masses. Oscillations of an open, slender, thin-walled cylindrical shell, rectangular in plan, were measured using induction accelerometers. The theoretical calculation of the shell was carried out on the basis of the equations of motion of the theory of shallow shells, using the Bubnov-Galerkin method. A significant splitting of the flexural frequency spectrum is found, influenced not only by the systems of attached маsses but also by the values of the wave formation parameters, which depend on the relative geometric dimensions of the shell. The correspondence of analytical and experimental data is found, using the example of an open shell of alloy D19, which allows us to speak about the high quality of the study. A qualitative new analytical solution of the problem of determining the value of the oscillation frequency of the shell, carrying a system of attached masses is shown.

Keywords: open hollow shell, nonlinear oscillations, associated mass, frequency

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3631 Structural Analysis on the Composition of Video Game Virtual Spaces

Authors: Qin Luofeng, Shen Siqi

Abstract:

For the 58 years since the first video game came into being, the video game industry is getting through an explosive evolution from then on. Video games exert great influence on society and become a reflection of public life to some extent. Video game virtual spaces are where activities are taking place like real spaces. And that’s the reason why some architects pay attention to video games. However, compared to the researches on the appearance of games, we observe a lack of theoretical comprehensive on the construction of video game virtual spaces. The research method of this paper is to collect literature and conduct theoretical research about the virtual space in video games firstly. And then analogizing the opinions on the space phenomena from the theory of literature and films. Finally, this paper proposes a three-layer framework for the construction of video game virtual spaces: “algorithmic space-narrative space players space”, which correspond to the exterior, expressive, affective parts of the game space. Also, we illustrate each sub-space according to numerous instances of published video games. Hoping this writing could promote the interactive development of video games and architecture.

Keywords: video game, virtual space, narrativity, social space, emotional connection

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3630 Simulation of Red Blood Cells in Complex Micro-Tubes

Authors: Ting Ye, Nhan Phan-Thien, Chwee Teck Lim, Lina Peng, Huixin Shi

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In biofluid flow systems, often the flow problems of fluids of complex structures, such as the flow of red blood cells (RBCs) through complex capillary vessels, need to be considered. In this paper, we aim to apply a particle-based method, Smoothed Dissipative Particle Dynamics (SDPD), to simulate the motion and deformation of RBCs in complex micro-tubes. We first present the theoretical models, including SDPD model, RBC-fluid interaction model, RBC deformation model, RBC aggregation model, and boundary treatment model. After that, we show the verification and validation of these models, by comparing our numerical results with the theoretical, experimental and previously-published numerical results. Finally, we provide some simulation cases, such as the motion and deformation of RBCs in rectangular, cylinder, curved, bifurcated, and constricted micro-tubes, respectively.

Keywords: aggregation, deformation, red blood cell, smoothed dissipative particle dynamics

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3629 Effect of Dietary Graded Levels of L-Theanine on Growth Performance, Carcass Traits, Meat Quality, and Immune Response of Broilers

Authors: Muhammad Saeed, Sun Chao

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L-theanine is water soluble non-proteinous amino acid found in green tea leaves. Despite the availability of abundant literature on green tea, studies on the use of L-theanine as an additive in animals especially broilers are scanty. The objective of this study was to evaluate the effectiveness of different dietary levels of L-theanine on growth performance, meat quality, growth, immune response and blood chemistry in broilers. A total of 400 day-old chicks were randomly divided into four treatment groups (A, B, C, and D) using a complete randomized design. Treatments were as follows: A; control (basal diet), B; basal diet+100 mg L-theanine / kg diet, C; basal diet+ 200 mg L-theanine / kg diet, and D; basal diet+ 300 mg L-theanine / kg diet. Results revealed that intermediate level of L-theanine (200 mg/ kg diet, group C) showed better results in terms of BWG, FC, and FCR compared with control and other L-theanine levels. The live weight eviscerated weight and gizzard weight was higher in all L-theanine levels as compared to that of the control group. The heaviest (P > 0.05) spleen and bursa were found in group C (200 mg L-theanine / kg diet). Analysis of meat colors according to yellowness (b*), redness (a*), and lightness (L*) showed significantly higher values of a* and b* in L-theanine groups. Supplementing broiler diet with L-theanine minimized (P=0.02) total cholesterol contents in serum. Further analysis revealed , lower mRNA expression of TNF-α and IL-6 in thymus and IFN- γ and IL-2 in spleen was observed in L-theanine group It is concluded that supplementation of L-theanine at 200mg/kg diet showed better results in terms of performance and it could be utilized as a natural feed additive alternative to antibiotics to improve overall performance of broilers. Increasing the levels up to 300 mg L-theanine /kg diet may has deleterious effects on performance and other health aspects.

Keywords: blood chemistry, broilers growth, L-theanine, meat quality

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3628 Informational Support, Anxiety and Satisfaction with Care among Family Caregivers of Patients Admitted in Critical Care Units of B.P. Koirala Institute of Health Sciences, Nepal

Authors: Rosy Chaudhary, Pushpa Parajuli

Abstract:

Background and Objectives: Informational support to family members has a significant potential for reducing this distress related to hospitalization of their patient into the critical care unit, enabling them to cope better and support the patient. The objective of the study is to assess family members’ perception of informational support, anxiety, satisfaction with care and to reveal the association with selected socio-demographic variables and to investigate the correlation between informational support, anxiety and satisfaction with care. Materials and Methods: A descriptive cross-sectional study was conducted in 39 family caregivers of patients admitted in critical care unit of BPKIHS(B.P. Koirala Institute of Health Sciences). Consecutive sampling technique was used wherein data was collected over duration of one month using interview schedule. Descriptive and inferential statistics were used. Results: The mean age of the respondents was 34.97 ± 10.64 and two third (66.70%) were male. Mean score for informational support was 25.72(SD = 5.66; theoretical range of 10 - 40). Mean anxiety was 10.41 (SD = 5.02; theoretical range of 7 - 21). Mean score for satisfaction with care was 40.77 (SD = 6.77; theoretical range of 14 - 64). A moderate positive correlation was found between informational support and satisfaction with care (r = 0.551, p < .001) and a moderate negative correlation was found between anxiety and satisfaction with care (r = -0.590; p = 0.000). No relationship was noted between informational support and anxiety. Conclusion: The informational support and satisfaction of the family caregivers with the care provided to their patients was satisfactory. More than three fourth of the family caregivers had anxiety; the factors associated being educational status of the caregivers, the family income and duration of visiting hours. There was positive correlation between informational support and satisfaction with care provided justifying the need for comprehensive information to the family caregivers by the health personnel. There was negative correlation between anxiety and satisfaction with care.

Keywords: anxiety, caregivers, critical care unit, informational support, family

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3627 Piezoelectric Approach on Harvesting Acoustic Energy

Authors: Khin Fai Chen, Jee-Hou Ho, Eng Hwa Yap

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An acoustic micro-energy harvester (AMEH) is developed to convert wasted acoustical energy into useful electrical energy. AMEH is mathematically modeled using lumped element modelling (LEM) and Euler-Bernoulli beam (EBB) modelling. An experiment is designed to validate the mathematical model and assess the feasibility of AMEH. Comparison of theoretical and experimental data on critical parameter value such as Mm, Cms, dm and Ceb showed the variances are within 1% to 6%, which is reasonably acceptable. Hence, AMEH mathematical model is validated. Then, AMEH undergoes bandwidth tuning for performance optimization for further experimental work. The AMEH successfully produces 0.9 V⁄(m⁄s^2) and 1.79 μW⁄(m^2⁄s^4) at 60Hz and 400kΩ resistive load which only show variances about 7% compared to theoretical data. By integrating a capacitive load of 200µF, the discharge cycle time of AMEH is 1.8s and the usable energy bandwidth is available as low as 0.25g. At 1g and 60Hz resonance frequency, the averaged power output is about 2.2mW which fulfilled a range of wireless sensors and communication peripherals power requirements. Finally, the design for AMEH is assessed, validated and deemed as a feasible design.

Keywords: piezoelectric, acoustic, energy harvester

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3626 A Soft Switching PWM DC-DC Boost Converter with Increased Efficiency by Using ZVT-ZCT Techniques

Authors: Yakup Sahin, Naim Suleyman Ting, Ismail Aksoy

Abstract:

In this paper, an improved active snubber cell is proposed on account of soft switching (SS) family of pulse width modulation (PWM) DC-DC converters. The improved snubber cell provides zero-voltage transition (ZVT) turn on and zero-current transition (ZCT) turn off for main switch. The snubber cell decreases EMI noise and operates with SS in a wide range of line and load voltages. Besides, all of the semiconductor devices in the converter operate with SS. There is no additional voltage and current stress on the main devices. Additionally, extra voltage stress does not occur on the auxiliary switch and its current stress is acceptable value. The improved converter has a low cost and simple structure. The theoretical analysis of converter is clarified and the operating states are given in detail. The experimental results of converter are obtained by prototype of 500 W and 100 kHz. It is observed that the experimental results and theoretical analysis of converter are suitable with each other perfectly.

Keywords: active snubber cells, DC-DC converters, zero-voltage transition, zero-current transition

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3625 The Influence of Covariance Hankel Matrix Dimension on Algorithms for VARMA Models

Authors: Celina Pestano-Gabino, Concepcion Gonzalez-Concepcion, M. Candelaria Gil-Fariña

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Some estimation methods for VARMA models, and Multivariate Time Series Models in general, rely on the use of a Hankel matrix. It is known that if the data sample is populous enough and the dimension of the Hankel matrix is unnecessarily large, this may result in an unnecessary number of computations as well as in numerical problems. In this sense, the aim of this paper is two-fold. First, we provide some theoretical results for these matrices which translate into a lower dimension for the matrices normally used in the algorithms. This contribution thus serves to improve those methods from a numerical and, presumably, statistical point of view. Second, we have chosen an estimation algorithm to illustrate in practice our improvements. The results we obtained in a simulation of VARMA models show that an increase in the size of the Hankel matrix beyond the theoretical bound proposed as valid does not necessarily lead to improved practical results. Therefore, for future research, we propose conducting similar studies using any of the linear system estimation methods that depend on Hankel matrices.

Keywords: covariances Hankel matrices, Kronecker indices, system identification, VARMA models

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3624 Locus of Control and Sense of Happiness: A Mediating Role of Self-Esteem

Authors: Ivanna Shubina

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Background/Objectives and Goals: Recent interest in positive psychology is reflected in a plenty of studies conducted on its basic constructs (e.g. self-esteem and happiness) in interrelation with personality features, social rules, business and technology development. The purpose of this study is to investigate the mediating role of self-esteem, exploring the relationships between self-esteem and happiness, self-esteem and locus of control (LOC). It hypothesizes that self-esteem may be interpreted as a predictor of happiness and mediator in the locus of control establishment. A plenty of various empirical studies results have been analyzed in order to collect data for this theoretical study, and some of the analysed results can be considered as arguable or incoherent. However, the majority of results indicate a strong relationship between three considered concepts: self-esteem, happiness, the locus of control. Methods: In particular, this study addresses the following broad research questions: i) Is self-esteem just an index of global happiness? ii) May happiness be possible or realizable without a healthy self-confidence and self-acceptance? iii) To what extent does self-esteem influence on the level of happiness? iv) Is high self-esteem a sufficient condition for happiness? v) Is self-esteem is a strong predictor of internal locus of control maintenance? vi) Is high self-esteem related to internal LOC, while low self-esteem to external LOC? In order to find the answers for listed questions, 60 reliable sources have been analyzed, results of what are discussed more detailed below. Expected Results/Conclusion/Contribution:It is recognized that the relationship between self-esteem, happiness, locus of control is complex: internal LOC is contributing to happiness, but it is not directly related to it; self-esteem is a powerful and important psychological factor in mental health and well-being; the feelings of being worthy and empowered are associated with significant achievements and high self-esteem; strong and appropriate self-esteem (when the discrepancy between “ideal” and “real” self is balanced) is correlated with more internal LOC (when the individual tends to believe that personal achievements depend on possessed features, vigor, and persistence). Despite the special attention paid to happiness, the locus of control and self-esteem, independently, theoretical and empirical equivocations within each literature foreclose many obvious predictions about the nature of their empirical distinction. In terms of theoretical framework, no model has achieved consensus as an ultimate theoretical background for any of the mentioned constructs. To be able to clarify the relationship between self-esteem, happiness, and locus of control more interdisciplinary studies have to take place in order to get data on heterogeneous samples, provided from various countries, cultures, and social groups.

Keywords: happiness, locus of control, self-esteem, mediation

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3623 Holy Quran’s Hermeneutics from Self-Referentiality to the Quran by Quran’s Interpretation

Authors: Mohammad Ba’azm

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The self-referentiality method as the missing ring of the Qur’an by Qur’an’s interpretation has a precise application at the level of the Quranic vocabulary, but after entering the domain of the verses, chapters and the whole Qur’an, it reveals its defect. Self-referentiality cannot show the clear concept of the Quranic scriptures, unlike the Qur’an by Qur’an’s interpretation method that guides us to the comprehension and exact hermeneutics. The Qur’an by Qur’an’s interpretation is a solid way of comprehension of the verses of the Qur'an and does not use external resources to provide implications and meanings with different theoretical and practical supports. In this method, theoretical supports are based on the basics and modalities that support and validate the legitimacy and validity of the interpretive method discussed, and the practical supports also relate to the practitioners of the religious elite. The combination of these two methods illustrates the exact understanding of the Qur'an at the level of Quranic verses, chapters, and the whole Qur’an. This study by examining the word 'book' in the Qur'an shows the difference between the two methods, and the necessity of attachment of these, in order to attain a desirable level for comprehensions meaning of the Qur'an. In this article, we have proven that by aspects of the meaning of the Quranic words, we cannot say any word has an exact meaning.

Keywords: Qur’an’s hermeneutic, self-referentiality, The Qur’an by Qur’an’s Interpretation, polysemy

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3622 The Creative Unfolding of “Reduced Descriptive Structures” in Musical Cognition: Technical and Theoretical Insights Based on the OpenMusic and PWGL Long-Term Feedback

Authors: Jacopo Baboni Schilingi

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We here describe the theoretical and philosophical understanding of a long term use and development of algorithmic computer-based tools applied to music composition. The findings of our research lead us to interrogate some specific processes and systems of communication engaged in the discovery of specific cultural artworks: artistic creation in the sono-musical domain. Our hypothesis is that the patterns of auditory learning cannot be only understood in terms of social transmission but would gain to be questioned in the way they rely on various ranges of acoustic stimuli modes of consciousness and how the different types of memories engaged in the percept-action expressive systems of our cultural communities also relies on these shadowy conscious entities we named “Reduced Descriptive Structures”.

Keywords: algorithmic sonic computation, corrected and self-correcting learning patterns in acoustic perception, morphological derivations in sensorial patterns, social unconscious modes of communication

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3621 Theoretical and Experimental Study on the NO Reduction by H₂ over Char Decorated with Ni at low Temperatures

Authors: Kaixuan Feng, Ruixiang Lin, Yuyan Hu, Yuheng Feng, Dezhen Chen, Tongcheng Cao

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In this study, we propose a reaction system for the low-temperature reduction of NO by H₂ on carbon-based materials decorated with 5%wt. Ni. This cost-effective catalyst system efficiently utilizes pyrolysis carbon-based materials and waste hydrogen. Additionally, it yields environmentally friendly products without requiring extra heat sources in practical SCR devices. Density functional theory elucidates the mechanism of NO heterogeneous reduction by H₂ on Ni-decorated char surfaces. Two distinct reaction paths were identified, one involving the intermediate product N₂O and the other not. These pathways exhibit different rate-determination steps and activation energies. Kinetic analysis indicates that the N₂O byproduct pathway has a lower activation energy. Experimental results corroborate the theoretical findings. Thus, this research enhances our mechanistic understanding of the NO-H₂ reaction over char and offers insights for optimizing catalyst design in low-temperature NO reduction.

Keywords: char-based catalysis, NO reduction, DFT study, heterogeneous reaction, low-temperature H₂-reduction

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3620 Techno-Economic Optimization and Evaluation of an Integrated Industrial Scale NMC811 Cathode Active Material Manufacturing Process

Authors: Usama Mohamed, Sam Booth, Aliysn J. Nedoma

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As part of the transition to electric vehicles, there has been a recent increase in demand for battery manufacturing. Cathodes typically account for approximately 50% of the total lithium-ion battery cell cost and are a pivotal factor in determining the viability of new industrial infrastructure. Cathodes which offer lower costs whilst maintaining or increasing performance, such as nickel-rich layered cathodes, have a significant competitive advantage when scaling up the manufacturing process. This project evaluates the techno-economic value proposition of an integrated industrial scale cathode active material (CAM) production process, closing the mass and energy balances, and optimizing the operation conditions using a sensitivity analysis. This is done by developing a process model of a co-precipitation synthesis route using Aspen Plus software and validated based on experimental data. The mechanism chemistry and equilibrium conditions were established based on previous literature and HSC-Chemistry software. This is then followed by integrating the energy streams, adding waste recovery and treatment processes, as well as testing the effect of key parameters (temperature, pH, reaction time, etc.) on CAM production yield and emissions. Finally, an economic analysis estimating the fixed and variable costs (including capital expenditure, labor costs, raw materials, etc.) to calculate the cost of CAM ($/kg and $/kWh), total plant cost ($) and net present value (NPV). This work sets the foundational blueprint for future research into sustainable industrial scale processes for CAM manufacturing.

Keywords: cathodes, industrial production, nickel-rich layered cathodes, process modelling, techno-economic analysis

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3619 Should Local Governments Expect Benefits from Special Economic Zones: The Case of Poland

Authors: Radosław Pastusiak, Anna Kaźmierska, Magdalena Jasiniak

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The impact of Special Economic Zones (SEZs) has been analyzed for many years by researchers. There are lot of theoretical studies proving the SEZs importance for regional development, however, there is lack of empirical studies (and they are mainly focused on China market) that are based on available data. The theoretical studies indicate the various impacts of enterprises operating within SEZs on the economy. The article proves that, in case of Poland, locating SEZs in municipalities is an important part of increasing municipalities’ income. Therefore SEZs have a positive impact on regional development. Municipality income is understood as taxes paid by taxpayers who depend on SEZ companies’ performance. The analysis includes the Corporate Income Tax (CIT), Personal Income Tax (PIT) and real estate tax. The effects of SEZs on regional development were narrowed to a few variables that are most significant for the financial system. The analysis indicates the significant impact of SEZs on the amount of taxes influencing the municipality budget.

Keywords: special economic zone, local finance, municipal finance, government

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3618 Developing Serious Games to Increase Children’s Knowledge of Diet and Nutrition

Authors: N. Liu, N. Tuah, D. Ying

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This research aims to identify and test whether serious games can help children learn and pick up healthy eating habits. The practical component takes the form of digitalizing an already existing educational board game called “All you can eat” (AYCE), designed with the nutritious subject matter in mind. This time with the added features of online playability, which will widen its availability and accessibility to reach more players compared to the physical iteration. The game will be deployed alongside the conducting of theoretical research, which also involves teachers leading children to play said digital version. The research methodology utilizes two experiments, such as handing out surveys to gather feedback from both the partners and students. The research was carried out in several countries, namely Brunei, Malaysia, and Taiwan. The results are to be used for validating the concept of “serious games,” particularly when tied to the health aspect of the players, which in this case were children. As for the research outcomes, they can be applied to a variety of serious games that are related to health topics more broadly and not simply limited to healthy eating habits alone, adopting a balanced combination of practical and theoretical considerations. The study will also help other researchers in the correlated fields of serious game development and pediatrics to better comprehend the needs of children. On the theoretical side, these findings can enable further technological advancements to be made possible, a case in point being more serious games, to provide the appropriate social support precisely on the matter of health-related issues. Not just individuals but rather communities could benefit from improved health and well-being as a result of the project, which, when done right, will potentially improve their quality of life and have fun while doing it. AYCE will be demonstrated to support a wide range of health issues as a result of this research case.

Keywords: culture heritage, digital games, digitalization, traditional religious culture

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3617 Fruit and Vegetable Consumption in High School Students in Bandar Abbas, Iran: An Application of the Trans-Theoretical Model

Authors: Aghamolaei Teamur, Hosseini Zahra, Ghanbarnejad Amin

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Introduction: A diet rich in fruits and vegetables, especially for adolescents is of a great importance due to the need for nutrients and the rapid growth of this age group. The aim of this study was to investigate the relationship between decisional balance and self-efficacy with stages of change for fruit and vegetable consumption in high school students in Bandar Abbas, Iran. Methods: In this descriptive-analytical study, the data were collected from 345 students studying in 8 high schools of Bandar Abbas were selected through multistage sampling. To collect data, separate questionnaires were designed for evaluating each of the variables including the stages of change, perceived benefits, perceived barriers, and self-efficacy of fruit and vegetable consumption. Decisional balance was estimated by subtracting the perceived benefits and barriers. The data were analyzed using SPSS19 and one-way ANOVA. Results: The results of this study indicated that individuals’ progress along the stages of change from pre-contemplation to maintenance level was associated with a significant increase in their decisional balance and self-efficacy for fruit and vegetable consumption. (P < 0.001). The lowest level of decisional balance and self-efficacy regarding for fruit showed up in the pre-contemplation stage, and the highest level of decisional balance and self-efficacy was in the maintenance stage. The same trends were observed in the case of vegetable consumption. Conclusion: Decisional balance and self-efficacy should be considered in designing interventions to increase consumption of fruits and vegetables. There needs to be more emphasis in educational programs based on the Trans-theoretical Model (TTM) on the enhancement of perceived benefits and elimination of perceived barriers regarding consumption of fruits and vegetables.

Keywords: fruit, vegetable, decision balance, self-efficacy, trans-theoretical model

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3616 Experimental Approach for Determining Hemi-Anechoic Characteristics of Engineering Acoustical Test Chambers

Authors: Santiago Montoya-Ospina, Raúl E. Jiménez-Mejía, Rosa Elvira Correa Gutiérrez

Abstract:

An experimental methodology is proposed for determining hemi-anechoic characteristics of an engineering acoustic room built at the facilities of Universidad Nacional de Colombia to evaluate the free-field conditions inside the chamber. Experimental results were compared with theoretical ones in both, the source and the sound propagation inside the chamber. Acoustic source was modeled by using monopole radiation pattern from punctual sources and the image method was considered for dealing with the reflective plane of the room, that means, the floor without insulation. Finite-difference time-domain (FDTD) method was implemented to calculate the sound pressure value at every spatial point of the chamber. Comparison between theoretical and experimental data yields to minimum error, giving satisfactory results for the hemi-anechoic characterization of the chamber.

Keywords: acoustic impedance, finite-difference time-domain, hemi-anechoic characterization

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3615 Frequency Distribution and Assertive Object Theory: An Exploration of the Late Bronze Age Italian Ceramic Landscape

Authors: Sara Fioretti

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In the 2nd millennium BCE, maritime networks became essential to the Mediterranean lifestyle, creating an interconnected world. This phenomenon of interconnected cultures has often been misinterpreted as an “effect” of the Mycenaean “influence” without considering the complexity and role of regional and cross-cultural exchanges. This paper explores the socio-economic relationships, in both cross-cultural and potentially inter-regional settings, present within the archaeological repertoire of the southern Italian Late Bronze Age (LBA 1600 -1140 BCE). The emergence of economic relations within the connectivity of the regional settlements is explored through ceramic contexts found in the case studies Punta di Zambrone, Broglio di Trebisacce, and Nuraghe Antigori. This work-in-progress research is situated in the shifting theoretical views of the last ten years that discuss the Late Bronze Age’s connectivity through Social Networks, Entanglement, and Assertive Objects combined with a comparative statistical study of ceramic frequency distribution. Applying these theoretical frameworks with a quantitative approach demonstrates the specific regional economic relationships that shaped the cultural interactions of the Late Bronze Age. Through this intersection of theory and statistical analysis, the case studies establish a small percentage of pottery as imported, whilst assertive productions have a relatively higher quantity. Overall, the majority still adheres to regional Italian traditions. Therefore, we can dissect the rhizomatic relationships cultivated by the Italian coasts and Mycenaeans and their roles within their networks through the intersection of theoretical and statistical analysis. This research offers a new perspective on the connectivity of the Late Bronze Age relational structures.

Keywords: late bronze age, mediterranean archaeology, exchanges and trade, frequency distribution of ceramic assemblages

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3614 Elastic Collisions of Electrons with DNA and Water From 10 eV to 100 KeV: Scar Macro Investigation

Authors: Aouina Nabila Yasmina, Zine El Abidine Chaoui

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Recently, understanding the interactions of electrons with the DNA molecule and its components has attracted considerable interest because DNA is the main site damaged by ionizing radiation. The interactions of radiation with DNA induce a variety of molecular damage such as single-strand breaks, double-strand breaks, basic damage, cross-links between proteins and DNA, and others, or the formation of free radicals, which, by chemical reactions with DNA, can also lead to breakage of the strand. One factor that can contribute significantly to these processes is the effect of water hydration on the formation and reaction of radiation induced by these radicals in and / or around DNA. B-DNA requires about 30% by weight of water to maintain its native conformation in the crystalline state. The transformation depends on various factors such as sequence, ion composition, concentration and water activity. Partial dehydration converts it to DNA-A. The present study shows the results of theoretical calculations for positrons and electrons elastic scattering with DNA medium and water over a broad energy range from 10 eV to 100 keV. Indeed, electron elastic cross sections and elastic mean free paths are calculated using a corrected form of the independent atom method, taking into account the geometry of the biomolecule (SCAR macro). Moreover, the elastic scattering of electrons and positrons by atoms of the biomolecule was evaluated by means of relativistic (Dirac) partial wave analysis. Our calculated results are compared with theoretical data available in the literature in the absence of experimental data, in particular for positron. As a central result, our electron elastic cross sections are in good agreement with existing theoretical data in the range of 10 eV to 1 keV.

Keywords: elastic cross scrion, elastic mean free path, scar macro method, electron collision

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3613 Fabrication of Highly Stable Low-Density Self-Assembled Monolayers by Thiolyne Click Reaction

Authors: Leila Safazadeh, Brad Berron

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Self-assembled monolayers have tremendous impact in interfacial science, due to the unique opportunity they offer to tailor surface properties. Low-density self-assembled monolayers are an emerging class of monolayers where the environment-interfacing portion of the adsorbate has a greater level of conformational freedom when compared to traditional monolayer chemistries. This greater range of motion and increased spacing between surface-bound molecules offers new opportunities in tailoring adsorption phenomena in sensing systems. In particular, we expect low-density surfaces to offer a unique opportunity to intercalate surface bound ligands into the secondary structure of protiens and other macromolecules. Additionally, as many conventional sensing surfaces are built upon gold surfaces (SPR or QCM), these surfaces must be compatible with gold substrates. Here, we present the first stable method of generating low-density self assembled monolayer surfaces on gold for the analysis of their interactions with protein targets. Our approach is based on the 2:1 addition of thiol-yne chemistry to develop new classes of y-shaped adsorbates on gold, where the environment-interfacing group is spaced laterally from neighboring chemical groups. This technique involves an initial deposition of a crystalline monolayer of 1,10 decanedithiol on the gold substrate, followed by grafting of a low-packed monolayer on through a photoinitiated thiol-yne reaction in presence of light. Orthogonality of the thiol-yne chemistry (commonly referred to as a click chemistry) allows for preparation of low-density monolayers with variety of functional groups. To date, carboxyl, amine, alcohol, and alkyl terminated monolayers have been prepared using this core technology. Results from surface characterization techniques such as FTIR, contact angle goniometry and electrochemical impedance spectroscopy confirm the proposed low chain-chain interactions of the environment interfacing groups. Reductive desorption measurements suggest a higher stability for the click-LDMs compared to traditional SAMs, along with the equivalent packing density at the substrate interface, which confirms the proposed stability of the monolayer-gold interface. In addition, contact angle measurements change in the presence of an applied potential, supporting our description of a surface structure which allows the alkyl chains to freely orient themselves in response to different environments. We are studying the differences in protein adsorption phenomena between well packed and our loosely packed surfaces, and we expect this data will be ready to present at the GRC meeting. This work aims to contribute biotechnology science in the following manner: Molecularly imprinted polymers are a promising recognition mode with several advantages over natural antibodies in the recognition of small molecules. However, because of their bulk polymer structure, they are poorly suited for the rapid diffusion desired for recognition of proteins and other macromolecules. Molecularly imprinted monolayers are an emerging class of materials where the surface is imprinted, and there is not a bulk material to impede mass transfer. Further, the short distance between the binding site and the signal transduction material improves many modes of detection. My dissertation project is to develop a new chemistry for protein-imprinted self-assembled monolayers on gold, for incorporation into SPR sensors. Our unique contribution is the spatial imprinting of not only physical cues (seen in current imprinted monolayer techniques), but to also incorporate complementary chemical cues. This is accomplished through a photo-click grafting of preassembled ligands around a protein template. This conference is important for my development as a graduate student to broaden my appreciation of the sensor development beyond surface chemistry.

Keywords: low-density self-assembled monolayers, thiol-yne click reaction, molecular imprinting

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3612 Functionalized Nano porous Ceramic Membranes for Electrodialysis Treatment of Harsh Wastewater

Authors: Emily Rabe, Stephanie Candelaria, Rachel Malone, Olivia Lenz, Greg Newbloom

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Electrodialysis (ED) is a well-developed technology for ion removal in a variety of applications. However, many industries generate harsh wastewater streams that are incompatible with traditional ion exchange membranes. Membrion® has developed novel ceramic-based ion exchange membranes (IEMs) offering several advantages over traditional polymer membranes: high performance in low pH, chemical resistance to oxidizers, and a rigid structure that minimizes swelling. These membranes are synthesized with our patented silane-based sol-gel techniques. The pore size, shape, and network structure are engineered through a molecular self-assembly process where thermodynamic driving forces are used to direct where and how pores form. Either cationic or anionic groups can be added within the membrane nanopore structure to create cation- and anion-exchange membranes. The ceramic IEMs are produced on a roll-to-roll manufacturing line with low-temperature processing. Membrane performance testing is conducted using in-house permselectivity, area-specific resistance, and ED stack testing setups. Ceramic-based IEMs show comparable performance to traditional IEMs and offer some unique advantages. Long exposure to highly acidic solutions has a negligible impact on ED performance. Additionally, we have observed stable performance in the presence of strong oxidizing agents such as hydrogen peroxide. This stability is expected, as the ceramic backbone of these materials is already in a fully oxidized state. This data suggests ceramic membranes, made using sol-gel chemistry, could be an ideal solution for acidic and/or oxidizing wastewater streams from processes such as semiconductor manufacturing and mining.

Keywords: ion exchange, membrane, silane chemistry, nanostructure, wastewater

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3611 Solar Seawater Desalination Still with Seawater Preheater Using Efficient Heat Transfer Oil: Numerical Investigation and Data Verification

Authors: Ahmed N. Shmroukh, Gamal Tag Abdel-Jaber, Rashed D. Aldughpassi

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The feasibility of improving the performance of the proposed solar still unit which operated in very hot climate is investigated numerically and verified with experimental data. This solar desalination unit with proposed auxiliary device as seawater preheating system using petrol based textherm oil was used to produce pure fresh water from seawater. The effective evaporation area of basin is about 1 m2. The unit was tested in two main operation modes which are normal and with seawater preheating system. The results showed that, there is good agreement between the theoretical data and the experimental data; this means that the numerical model can be accurately dependable for predicting the proposed solar still performance and design parameters. The results also showed that the fresh water productivity of the solar still in the modified preheating case which is higher than normal case, leads to an increase in productivity of 42%.

Keywords: improving productivity, seawater desalination, solar stills, theoretical model

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3610 Industrial Relations as Communication: The Strange Case of the FCA-UAW Agreement

Authors: Francesco Nespoli

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After having posed a theoretical framework combining framing theory and new rhetoric, the paper analyze the shift in communication both adopted by UAW and FCA during the negotiations in fall 2015. The paper argues that mistakes and adjustments played a determinant role respectively in the rejection of the first tentative agreement and in the ratification of the contract. The purpose of the paper is to set a new theoretical framework for the analysis of communication in industrial relations, by describing a narrative construction of reality from the perspective of the new rhetoric. The paper thus analyze all public text, speeches, tweets and Facebook posts by the union reading them as part of the narrative set by the organization condensed by the slogan 'it’s our time'. That narrative tried to gain consensus from the members matching the expectations due to the industry recovery after more than five years of workers' sacrifices. In doing so, the analysis points out a shift in the communication strategy of the union after the first rejection of a tentative agreement in 15 years. The findings suggest that, from the communication point of view, consultation in industrial relations can be conceived as a particular kind of political communication where identification with the audience through deliberate narrative may not be effective if it is not preceded by a listening campaign.

Keywords: communication, consultation, automotive, FCA

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3609 The Supply Chain Management and Supply Chain Responsiveness in the Competitiveness of the Agrofood Sector: An Econometric Analysis

Authors: Alma Lucero Ortiz, Mario Gómez

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The purpose of this article is to conduct a theoretical and empirical study in order to analyze how the Supply Chain Management (SCM) and Supply Chain Responsiveness (SCR) affects the competitive advantage of the agrofood sector in 2017, in particular, the exporting companies of berries in Mexico. This work is presented in two parts, as a first part is developed a theoretical analysis of the main studies to measure the variables subject to the study. Subsequently an empirical study is carried out through field work and to process the data a logical econometric model is performed to be able to evaluate the effect of the SCM and SCR on the competitive advantage in the companies exporting berries. The results suggest that the SCM has a positive effect on the competitive advantage of the companies under study, so it is necessary to implement greater practices oriented towards a suitable SCM for the companies to achieve a competitive performance. In the case of SCR, it was found that this variable does not have effect on competitive advantage.

Keywords: competitive advantage, econometric model, supply chain management, supply chain responsiveness, sustained competitive advantage

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