Search results for: al target interaction
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6511

Search results for: al target interaction

5491 Psychophysiological Synchronization between the Manager and the Subordinate during a Performance Review Discussion

Authors: Mikko Salminen, Niklas Ravaja

Abstract:

Previous studies have shown that emotional intelligence (EI) has an important role in leadership and social interaction. On the other hand, physiological synchronization between two interacting participants has been related to, for example, intensity of the interaction, and interestingly also to empathy. It is suggested that the amount of covariation in physiological signals between the two interacting persons would also be related to how the discussion is perceived subjectively. To study the interrelations between physiological synchronization, emotional intelligence, and subjective perception of the interaction, performance review discussions between real manager – subordinate dyads were studied using psychophysiological measurements and self-reports. The participants consisted of 40 managers, of which 24 were female, and 78 of their subordinates, of which 45 were female. The participants worked in various fields, for example banking, education, and engineering. The managers had a normal performance review discussion with two subordinates, except two managers who, due to scheduling issues, had discussion with only one subordinate. The managers were on average 44.5 years old, and the subordinates on average 45.5 years old. Written consent, in accordance with the Declaration of Helsinki, was obtained from all the participants. After the discussion, the participants filled a questionnaire assessing their emotions during the discussion. This included a self-assessment manikin (SAM) scale for the emotional valence during the discussion, with a 9-point graphical scale representing a manikin whose facial expressions ranged from smiling and happy to frowning and unhappy. In addition, the managers filled EI360, a 37-item self-report trait emotional intelligence questionnaire. The psychophysiological activity of the participants was recorded using two Varioport-B portable recording devices. Cardiac activity (ECG, electrocardiogram) was measured with two electrodes placed on the torso. Inter-beat interval (IBI, time between two successive heart beats) was calculated from the ECG signals. The facial muscle activation (EMG, electromyography) was recorded on three sites of the left side of the face: zygomaticus major (cheek muscle), orbicularis oculi (periocular muscle), and corrugator supercilii (frowning muscle). The facial-EMG signals were rectified and smoothed, and cross-coherences were calculated between members of each dyad, for all the three EMG signals, for the baseline and discussion periods. The values were natural-log transformed to normalize the distributions. Higher cross-coherence during the discussion between the manager’s and the subordinate’s zygomatic muscles was related to more positive valence self-reported emotions, F(1; 66,137) = 7,051; p=0,01. Thus, synchronized cheek muscle activation, either due to synchronous smiling or talking, was related to more positive perception of the discussion. In addition, higher IBI synchronization between the manager and the subordinate during the discussion was related to the manager’s higher self-reported emotional intelligence, F(1; 27,981)=4,58; p=0,041. That is, the EI was related to synchronous cardiac activity and possibly to similar physiological arousal levels. The results imply that the psychophysiological synchronization could be a potentially useful index in the study of social interaction and a valuable tool in the coaching of leadership skills in organizational contexts.

Keywords: emotional intelligence, leadership, psychophysiology, social interaction, synchronization

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5490 Variability of the Speaker's Verbal and Non-Verbal Behaviour in the Process of Changing Social Roles in the English Marketing Discourse

Authors: Yuliia Skrynnik

Abstract:

This research focuses on the interaction of verbal, non-verbal, and super-verbal communicative components used by the speaker changing social roles in the marketing discourse. The changing/performing of social roles is implemented through communicative strategies and tactics, the structural, semantic, and linguo-pragmatic means of which are characterized by specific features and differ for the performance of either a role of a supplier or a customer. Communication within the marketing discourse is characterized by symmetrical roles’ relation between communicative opponents. The strategy of a supplier’s social role realization and the strategy of a customer’s role realization influence the discursive personality's linguistic repertoire in the marketing discourse. This study takes into account that one person can be both a supplier and a customer under different circumstances, thus, exploring the one individual who can be both a supplier and a customer. Cooperative and non-cooperative tactics are the instruments for the implementation of these strategies. In the marketing discourse, verbal and non-verbal behaviour of the speaker performing a customer’s social role is highly informative for speakers who perform the role of a supplier. The research methods include discourse, context-situational, pragmalinguistic, pragmasemantic analyses, the method of non-verbal components analysis. The methodology of the study includes 5 steps: 1) defining the configurations of speakers’ social roles on the selected material; 2) establishing the type of the discourse (marketing discourse); 3) describing the specific features of a discursive personality as a subject of the communication in the process of social roles realization; 4) selecting the strategies and tactics which direct the interaction in different roles configurations; 5) characterizing the structural, semantic and pragmatic features of the strategies and tactics realization, including the analysis of interaction between verbal and non-verbal components of communication. In the marketing discourse, non-verbal behaviour is usually spontaneous but not purposeful. Thus, the adequate decoding of a partner’s non-verbal behavior provides more opportunities both for the supplier and the customer. Super-verbal characteristics in the marketing discourse are crucial in defining the opponent's social status and social role at the initial stage of interaction. The research provides the scenario of stereotypical situations of the play of a supplier and a customer. The performed analysis has perspectives for further research connected with the study of discursive variativity of speakers' verbal and non-verbal behaviour considering the intercultural factor influencing the process of performing the social roles in the marketing discourse; and the formation of the methods for the scenario construction of non-stereotypical situations of social roles realization/change in the marketing discourse.

Keywords: discursive personality, marketing discourse, non-verbal component of communication, social role, strategy, super-verbal component of communication, tactic, verbal component of communication

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5489 How Whatsappization of the Chatbot Affects User Satisfaction, Trust, and Acceptance in a Drive-Sharing Task

Authors: Nirit Gavish, Rotem Halutz, Liad Neta

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Nowadays, chatbots are gaining more and more attention due to the advent of large language models. One of the important considerations in chatbot design is how to create an interface to achieve high user satisfaction, trust, and acceptance. Since WhatsApp conversations sometimes substitute for face-to-face communication, we studied whether WhatsAppization of the chatbot -making the conversation resemble a WhatsApp conversation more- will improve user satisfaction, trust, and acceptance, or whether the opposite will occur due to the Uncanny Valley (UV) effect. The task was a drive-sharing task, in which participants communicated with a textual chatbot via WhatsApp and could decide whether to participate in a ride to college with a driver suggested by the chatbot. WhatsAppization of the chatbot was done in two ways: By a dialog-style conversation (Dialog versus No Dialog), and by adding WhatsApp indicators – “Last Seen”, “Connected”, “Read Receipts”, and “Typing…” (Indicators versus No Indicators). Our 120 participants were randomly assigned to one of the four 2 by 2 design groups, with 30 participants in each. They interacted with the WhatsApp chatbot and then filled out a questionnaire. The results demonstrated that, as expected from the manipulation, the interaction with the chatbot was longer for the dialog condition compared to the no dialog. This extra interaction, however, did not lead to higher acceptance -quite the opposite, since participants in the dialog condition were less willing to implement the decision made at the end of the conversation with the chatbot and continue the interaction with the driver they chose. The results are even more striking when considering the Indicators condition. Both for the satisfaction measures and the trust measures, participants’ ratings were lower in the Indicators condition compared to the No Indicators. Participants in the Indicators condition felt that the ride search process was harder to operate, and slower (even though the actual interaction time was similar). They were less convinced that the chatbot suggested real trips and they trusted the person offering the ride and referred to them by the chatbot less. These effects were more evident for participants who preferred to share their rides using WhatsApp compared to participants who preferred chatbots for that purpose. Considering our findings, we can say that the WhatsAppization of the chatbot was detrimental. This is true for the both chatbot WhatsAppization methods – by making the conversation more a dialog and adding WhatsApp indicators. For the chosen drive-sharing task, the results were, in addition to lower satisfaction, less trust in the chatbot’s suggestion and even in the driver suggested by the chatbot, and lower willingness to actually undertake the suggested ride. In addition, it seems that the most problematic WhatsAppization method was using WhatsApp’s indicators during the interaction with the chatbot. The current study suggests that a conversation with an artificial agent should also not imitate a WhatsApp conversation very closely. With the proliferation of WhatsApp use, the emotional and social aspect of face-to face commination are moving to WhatsApp communication. Based on the current study’s findings, it is possible that the UV effect also occurs in WhatsAppization, and not only in humanization, of the chatbot, with a similar feeling of eeriness, and is more pronounced for people who prefer to use WhatsApp over chatbots. The current research can serve as a starting point to study the very interesting and important topic of chatbots WhatsAppization. More methods of WhatsAppization and other tasks could be the focus of further studies.

Keywords: chatbot, WhatsApp, humanization, Uncanny Valley, drive sharing

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5488 Thermal Effect on Wave Interaction in Composite Structures

Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry

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There exist a wide range of failure modes in composite structures due to the increased usage of the structures especially in aerospace industry. Moreover, temperature dependent wave response of composite and layered structures have been continuously studied, though still limited, in the last decade mainly due to the broad operating temperature range of aerospace structures. A wave finite element (WFE) and finite element (FE) based computational method is presented by which the temperature dependent wave dispersion characteristics and interaction phenomenon in composite structures can be predicted. Initially, the temperature dependent mechanical properties of the panel in the range of -100 ◦C to 150 ◦C are measured experimentally using the Thermal Mechanical Analysis (TMA). Temperature dependent wave dispersion characteristics of each waveguide of the structural system, which is discretized as a system of a number of waveguides coupled by a coupling element, is calculated using the WFE approach. The wave scattering properties, as a function of temperature, is determined by coupling the WFE wave characteristics models of the waveguides with the full FE modelling of the coupling element on which defect is included. Numerical case studies are exhibited for two waveguides coupled through a coupling element.

Keywords: finite element, temperature dependency, wave dispersion characteristics, wave finite element, wave scattering properties

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5487 Evaluating Hyperelastic Properties of Geotextiles under Uniaxial Loading

Authors: Belhadj Fatma Zohra, Belhadj Ahmed Fouad, Chabaat Mohamed

Abstract:

The properties of geotextiles can impact the long-term behavior of reinforced soils, which can lead to unexpected problems such as instability and excessive deformation. Research into the material’s rheological properties and nonlinear behavior is required to overcome this issue. This study focuses on six isotropic hyperelastic models (Neo-Hooke, Mooney-Rivlin, Ogden, Yeoh, Arruda-Boyce, and Van der Waals) commonly used to describe the behavior of PET woven geotextiles in civil engineering applications. The models are adjusted for uniaxial tension testing in the warp and weft directions based on experimental data; the Yeoh and Neo-Hooke models accurately predict the behavior of these geotextiles. The study aims to enhance an understanding of how geotextiles behave under varying loads through testing and finite element simulations. The strong correlation between experimental and simulation results can help develop hyperelastic material models for geotextiles. This framework can be beneficial for manufacturers and engineers in addressing soil-structure interaction concerns effectively in their projects.

Keywords: soil-structure interaction interface, geotextiles rheological characteristics, hyperelastic models, uniaxial tension testing, FEA modeling

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5486 The Molecule Preserve Environment: Effects of Inhibitor of the Angiotensin Converting Enzyme on Reproductive Potential and Composition Contents of the Mediterranean Flour Moth, Ephestia kuehniella Zeller

Authors: Yezli-Touiker Samira, Amrani-Kirane Leila, Soltani Mazouni Nadia

Abstract:

Due to secondary effects of conventional insecticides on the environment, the agrochemical research has resulted in the discovery of novel molecules. That research work will help in the development of a new group of pesticides that may be cheaper and less hazardous to the environment and non-target organisms which is the main desired outcome of the present work. Angiotensin-converting enzyme as a target for the development of novel insect growth regulators. Captopril is an inhibitor of angiotensin converting enzyme (ACE) it was tested in vivo by topical application on reproduction of Ephestia kuehniella Zeller (Lepidoptera: Pyralidae). The compound is diluted in acetone and applied topically to newly emerged pupae (10µg/ 2µl). The effects of this molecule was studied,on the biochemistry of ovary (on amounts nucleic acid, proteins, the qualitative analysis of the ovarian proteins and the reproductive potential (duration of the pre-oviposition, duration of the oviposition, number of eggs laid and hatching percentage). Captopril reduces significantly quantity of ovarian proteins and nucleic acid. The electrophoresis profile reveals the absence of tree bands at the treated series. This molecule reduced the duration of the oviposition period, the fecundity and the eggviability.

Keywords: environment, ephestia kuehniella, captopril, reproduction, the agrochemical research

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5485 Synthesis and Tribological Properties of the Al-Cr-N/MoS₂ Self-Lubricating Coatings by Hybrid Magnetron Sputtering

Authors: Tie-Gang Wang, De-Qiang Meng, Yan-Mei Liu

Abstract:

Ternary AlCrN coatings were widely used to prolong cutting tool life because of their high hardness and excellent abrasion resistance. However, the friction between the workpiece and cutter surface was increased remarkably during machining difficult-to-cut materials (such as superalloy, titanium, etc.). As a result, a lot of cutting heat was generated and cutting tool life was shortened. In this work, an appropriate amount of solid lubricant MoS₂ was added into the AlCrN coating to reduce the friction between the tool and the workpiece. A series of Al-Cr-N/MoS₂ self-lubricating coatings with different MoS₂ contents were prepared by high power impulse magnetron sputtering (HiPIMS) and pulsed direct current magnetron sputtering (Pulsed DC) compound system. The MoS₂ content in the coatings was changed by adjusting the sputtering power of the MoS₂ target. The composition, structure and mechanical properties of the Al-Cr-N/MoS2 coatings were systematically evaluated by energy dispersive spectrometer, scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray diffractometer, nano-indenter tester, scratch tester, and ball-on-disk tribometer. The results indicated the lubricant content played an important role in the coating properties. As the sputtering power of the MoS₂ target was 0.1 kW, the coating possessed the highest hardness 14.1GPa, the highest critical load 44.8 N, and the lowest wear rate 4.4×10−3μm2/N.

Keywords: self-lubricating coating, Al-Cr-N/MoS₂ coating, wear rate, friction coefficient

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5484 Audio-Lingual Method and the English-Speaking Proficiency of Grade 11 Students

Authors: Marthadale Acibo Semacio

Abstract:

Speaking skill is a crucial part of English language teaching and learning. This actually shows the great importance of this skill in English language classes. Through speaking, ideas and thoughts are shared with other people, and a smooth interaction between people takes place. The study examined the levels of speaking proficiency of the control and experimental groups on pronunciation, grammatical accuracy, and fluency. As a quasi-experimental study, it also determined the presence or absence of significant changes in their speaking proficiency levels in terms of pronouncing the words correctly, the accuracy of grammar and fluency of a language given the two methods to the groups of students in the English language, using the traditional and audio-lingual methods. Descriptive and inferential statistics were employed according to the stated specific problems. The study employed a video presentation with prior information about it. In the video, the teacher acts as model one, giving instructions on what is going to be done, and then the students will perform the activity. The students were paired purposively based on their learning capabilities. Observing proper ethics, their performance was audio recorded to help the researcher assess the learner using the modified speaking rubric. The study revealed that those under the traditional method were more fluent than those in the audio-lingual method. With respect to the way in which each method deals with the feelings of the student, the audio-lingual one fails to provide a principle that would relate to this area and follows the assumption that the intrinsic motivation of the students to learn the target language will spring from their interest in the structure of the language. However, the speaking proficiency levels of the students were remarkably reinforced in reading different words through the aid of aural media with their teachers. The study concluded that using an audio-lingual method of teaching is not a stand-alone method but only an aid of the teacher in helping the students improve their speaking proficiency in the English Language. Hence, audio-lingual approach is encouraged to be used in teaching English language, on top of the chalk-talk or traditional method, to improve the speaking proficiency of students.

Keywords: audio-lingual, speaking, grammar, pronunciation, accuracy, fluency, proficiency

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5483 Synergistic Effects of the Substrate-Ligand Interaction in Metal-Organic Complexes on the De-electronation Kinetics of a Vitamin C Fuel Cell

Authors: Muskan Parmar, Musthafa Ottakam Thotiyl

Abstract:

The rising need for portable energy sources has led to advancements in direct liquid fuel cells (DLFCs) using various fuels like alcohol, ammonia, hydrazine, and vitamin C. Traditional precious metal catalysts improve reaction speeds but are expensive and prone to poisoning. Our study reveals how non-precious metal organometallic complexes, combined with smartly designed ligands, can significantly boost performance. The key is a unique interaction between the substrate (fuel) and the ligand, which creates a "dragging" effect that enhances reaction rates. By using this approach with a ferricyanide/ferrocyanide half-cell reaction, we developed a vitamin C fuel cell without precious metals. This fuel cell achieves an open circuit voltage of ∼950 mV, a peak power density of ∼97 mW cm⁻², and a peak current density of ∼215 mA cm⁻². Impressively, its performance is about 1.7 times better than traditional precious metal-based DLFCs. This highlights the potential of substrate ligand chemistry in the creation of sustainable DLFCs for efficient energy conversion.

Keywords: molecular electrocatalysts, vitamin C fuel cell, proton charge assembly, ferricyanide half-cell chemistry

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5482 Ideology Shift in Political Translation

Authors: Jingsong Ma

Abstract:

In political translation, ideology plays an important role in conveying implications accurately. Ideological collisions can occur in political translation when there existdifferences of political environments embedded in the translingual political texts in both source and target languages. To reach an accurate translationrequires the translatorto understand the ideologies implied in (and often transcending) the texts. This paper explores the conditions, procedure, and purpose of processingideological collision and resolution of such issues in political translation. These points will be elucidated by case studies of translating English and Chinese political texts. First, there are specific political terminologies in certain political environments. These terminological peculiarities in one language are often determined by ideological elements rather than by syntactical and semantical understanding. The translation of these ideological-loaded terminologiesis a process and operation consisting of understanding the ideological context, including cultural, historical, and political situations. This will be explained with characteristic Chinese political terminologies and their renderings in English. Second, when the ideology in the source language fails to match with the ideology in the target language, the decisions to highlight or disregard these conflicts are shaped by power relations, political engagement, social context, etc. It thus is necessary to go beyond linguisticanalysis of the context by deciphering ideology in political documents to provide a faithful or equivalent rendering of certain messages. Finally, one of the practical issues is about equivalence in political translation by redefining the notion of faithfulness and retainment of ideological messages in the source language in translations of political texts. To avoid distortion, the translator should be liberated from grip the literal meaning, instead diving into functional meanings of the text.

Keywords: translation, ideology, politics, society

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5481 Ethically Integrating Robots to Assist Elders and Patients with Dementia

Authors: Suresh Lokiah

Abstract:

The emerging trend of integrating robots into elderly care, particularly for assisting patients with dementia, holds the potential to greatly transform the sector. Assisted living facilities, which house a significant number of elderly individuals and dementia patients, constantly strive to engage their residents in stimulating activities. However, due to staffing shortages, they often rely on volunteers to introduce new activities. Despite the availability of social interaction, these residents, frequently overlooked in society, are in desperate need of additional support. Robots designed for elder care are categorized based on their design and functionality. These categories include companion robots, telepresence robots, health monitoring robots, and rehab robots. However, the integration of such robots raises significant ethical concerns, notably regarding privacy, autonomy, and the risk of dehumanization. Privacy issues arise as these robots may need to continually monitor patient activities. There is also a risk of patients becoming overly dependent on these robots, potentially undermining their autonomy. Furthermore, the replacement of human touch with robotic interaction may lead to the dehumanization of care. This paper delves into the ethical considerations of incorporating robotic assistance in eldercare. It proposes a series of guidelines and strategies to ensure the ethical deployment of these robots. These guidelines suggest involving patients in the design and development process of the robots and emphasize the critical need for human oversight to respect the dignity and rights of the elderly and dementia patients. The paper also recommends implementing robust privacy measures, including secure data transmission and data anonymization. In conclusion, this paper offers a thorough examination of the ethical implications of using robotic assistance in elder care. It provides a strategic roadmap to ensure this technology is utilized ethically, thereby maximizing its potential benefits and minimizing any potential harm.

Keywords: human-robot interaction, robots for eldercare, ethics, health, dementia

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5480 Case Analysis of Bamboo Based Social Enterprises in India-Improving Profitability and Sustainability

Authors: Priyal Motwani

Abstract:

The current market for bamboo products in India is about Rs. 21000 crores and is highly unorganised and fragmented. In this study, we have closely analysed the structure and functions of a major bamboo craft based organisation in Kerela, India and elaborated about its value chain, product mix, pricing strategy and supply chain, collaborations and competitive landscape. We have identified six major bottlenecks that are prevalent in such organisations, based on the Indian context, in relation to their product mix, asset management, and supply chain- corresponding waste management and retail network. The study has identified that the target customers for the bamboo based products and alternative revenue streams (eco-tourism, microenterprises, training), by carrying out secondary and primary research (5000 sample space), that can boost the existing revenue by 150%. We have then recommended an optimum product mix-covering premium, medium and low valued processing, for medium sized bamboo based organisations, in accordance with their capacity to maximize their revenue potential. After studying such organisations and their counter parts, the study has established an optimum retail network, considering B2B, B2C physical and online retail, to maximize their sales to their target groups. On the basis of the results obtained from the analysis of the future and present trends, our study gives recommendations to improve the revenue potential of bamboo based organisation in India and promote sustainability.

Keywords: bamboo, bottlenecks, optimization, product mix, retail network, value chain

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5479 Filler Elastomers Abrasion at Steady State: Optimal Use Conditions

Authors: Djeridi Rachid, Ould Ouali Mohand

Abstract:

The search of a mechanism for the elastomer abrasive wear study is an open issue. The practice difficulties are complex due to the complexity of deformation mechanism, to the complex mechanism of the material tearing and to the marked interactions between the tribological parameters. In this work, we present an experimental technique to study the elastomers abrasive wear. The interaction 'elastomer/indenter' implicate dependant ant temporary of different tribological parameters. Consequently, the phenomenon that governs this interaction is not easy to explain. An optimal elastomers compounding and an adequate utilization conditions of these materials that define its resistance at the abrasion is discussed. The results are confronted to theoretical models: the weight loss variation in function of blade angle or in function of cycle number is in agreement with rupture models and with the mechanism of fissures propagation during the material tearing in abrasive wear of filler elastomers. The weight loss in function of the sliding velocity shows the existence of a critical velocity that corresponds to the maximal wear. The adding of silica or black carbon influences in a different manner on wear abrasive behavior of filler elastomers.

Keywords: abrasion wear, filler elastomer, tribology, hyperelastic

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5478 Assessing Students’ Readiness for an Open and Distance Learning Higher Education Environment

Authors: Upasana G. Singh, Meera Gungea

Abstract:

Learning is no more confined to the traditional classroom, teacher, and student interaction. Many universities offer courses through the Open and Distance Learning (ODL) mode, attracting a diversity of learners in terms of age, gender, and profession to name a few. The ODL mode has surfaced as one of the famous sought-after modes of learning, allowing learners to invest in their educational growth without hampering their personal and professional commitments. This mode of learning, however, requires that those who ultimately choose to adopt it must be prepared to undertake studies through such medium. The purpose of this research is to assess whether students who join universities offering courses through the ODL mode are ready to embark and study within such a framework. This study will be helpful to unveil the challenges students face in such an environment and thus contribute to developing a framework to ease adoption and integration into the ODL environment. Prior to the implementation of e-learning, a readiness assessment is essential for any institution that wants to adopt any form of e-learning. Various e-learning readiness assessment models have been developed over the years. However, this study is based on a conceptual model for e-Learning Readiness Assessment which is a ‘hybrid model’. This hybrid model consists of 4 main parameters: 1) Technological readiness, 2) Culture readiness, 3) Content readiness, and 4) Demographics factors, with 4 sub-areas, namely, technology, innovation, people and self-development. The model also includes the attitudes of users towards the adoption of e-learning as an important aspect of assessing e-learning readiness. For this study, some factors and sub-factors of the hybrid model have been considered and adapted, together with the ‘Attitude’ component. A questionnaire was designed based on the models and students where the target population were students enrolled at the Open University of Mauritius, in undergraduate and postgraduate courses. Preliminary findings indicate that most (68%) learners have an average knowledge about ODL form of learning, despite not many (72%) having previous experience with ODL. Despite learning through ODL 74% of learners preferred hard copy learning material and 48% found difficulty in reading learning material on electronic devices.

Keywords: open learning, distance learning, student readiness, a hybrid model

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5477 Path Planning for Unmanned Aerial Vehicles in Constrained Environments for Locust Elimination

Authors: Aadiv Shah, Hari Nair, Vedant Mittal, Alice Cheeran

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Present-day agricultural practices such as blanket spraying not only lead to excessive usage of pesticides but also harm the overall crop yield. This paper introduces an algorithm to optimize the traversal of an unmanned aerial vehicle (UAV) in constrained environments. The proposed system focuses on the agricultural application of targeted spraying for locust elimination. Given a satellite image of a farm, target zones that are prone to locust swarm formation are detected through the calculation of the normalized difference vegetation index (NDVI). This is followed by determining the optimal path for traversal of a UAV through these target zones using the proposed algorithm in order to perform pesticide spraying in the most efficient manner possible. Unlike the classic travelling salesman problem involving point-to-point optimization, the proposed algorithm determines an optimal path for multiple regions, independent of its geometry. Finally, the paper explores the idea of implementing reinforcement learning to model complex environmental behaviour and make the path planning mechanism for UAVs agnostic to external environment changes. This system not only presents a solution to the enormous losses incurred due to locust attacks but also an efficient way to automate agricultural practices across the globe in order to improve farmer ergonomics.

Keywords: locust, NDVI, optimization, path planning, reinforcement learning, UAV

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5476 The Bicoid Gradient in the Drosophila Embryo: 3D Modelling with Realistic Egg Geometries

Authors: Alexander V. Spirov, David M. Holloway, Ekaterina M. Myasnikova

Abstract:

Segmentation of the early Drosophila embryo results from the dynamic establishment of spatial gene expression patterns. Patterning occurs on an embryo geometry which is a 'deformed' prolate ellipsoid, with anteroposterior and dorsal-ventral major and minor axes, respectively. Patterning is largely independent along each axis, but some interaction can be seen in the 'bending' of the segmental expression stripes. This interaction is not well understood. In this report, we investigate how 3D geometrical features of the early embryo affect the segmental expression patterning. Specifically, we study the effect of geometry on formation of the Bicoid primary morphogenetic gradient. Our computational results demonstrate that embryos with a much longer ventral than dorsal surface ('bellied') can produce curved Bicoid concentration contours which could activate curved stripes in the downstream pair-rule segmentation genes. In addition, we show that having an extended source for Bicoid in the anterior of the embryo may be necessary for producing the observed exponential form of the Bicoid gradient along the anteroposterior axis.

Keywords: Drosophila embryo, bicoid morphogenetic gradient, exponential expression profile, expression surface form, segmentation genes, 3D modelling

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5475 Interaction Effects of Vitamin D Supplementation and Aerobic Exercises on Balance and Physical Performance in Children with Down Syndrome

Authors: Mohamed A. Eid, Sobhy M. Aly, Marwa M. Ibrahim, Nadia L. Radwan

Abstract:

To investigate the interaction effects of vitamin D supplementation combined with aerobic exercises (AE) and conventional physical therapy program (CPTP) on balance and physical performance in children with Down syndrome (DS).Methods: A randomized controlled trial was conducted for 38 children with DS, with ages ranging from 8 to 12 years. They were divided randomly to two groups. The control group (n=19) received the CPTP, while the study group (n=19) received the CPTP, AE, and vitamin D in the form of an oral daily dose of vitamin D3 400 IU (Cholecalciferol). Evaluation of balance by using the Biodex Stability System and physical performance by using the six-minute walk test (6MWT)was performed before and after 12 weeks of the treatment program. Findings: All groups showed a significant improvement in balance and physical performance after treatment (p < 0.05). The study group showed a significant improvement in balance and physical performancecompared with that of the control group (p < 0.05). Conclusion: Vitamin D supplementation combined with AE and CPTP could improve balance and physical performance in children with DS. Therefore, vitamin D and AEshould be considered as adjunctive to the rehabilitation program of these children.

Keywords: aerobic exercises, balance, down syndrome, physical performance, vitamin D

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5474 Flotation Recovery of Gold-Loaded Fine Activated Carbon Using Emulsified Diesel and Kerosene as Collectors

Authors: Emmanuel Jr. Ballad, Herman Mendoza

Abstract:

The recovery of fine activated carbon with adsorbed gold in the cyanidation tailings of a small-scale gold plant was investigated due to the high amount of gold present. In the study, collectors that were used are kerosene and diesel. Emulsification of the oils was done to improve its collecting property, thus also the recovery. It was found out that the best hydrophile lypophile balance (HLB) of emulsified diesel and kerosene oil is 13 and 12 respectively. The amount of surfactants (SPAN 20 and TWEEN 20) for the best stability of the emulsified oils was found to be 10% in both kerosene and diesel. Optical microscopy showed that the oil dispersion in the water forms spherical droplets like features. The higher the stability, the smaller the droplets and their number were increasing. The smaller droplets indicate better dispersion of oil in the water. Consequently, it will have a greater chance of oil and activated carbon particle interaction during flotation. Due to the interaction of dispersed oil phase with carbon, the hydrophobicity of the carbon will be improved and will be attached to the bubble. Thus, flotation recovery will be increased. Results showed that the recovery of the fine activated carbon using emulsified diesel or kerosene is three times more effective than using pure diesel or kerosene.

Keywords: emulsified oils, flotation, hydrophile lyophile balance, non-ionic surfactants

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5473 Second Language Acquisition in a Study Abroad Context: International Students’ Perspectives of the Evolution of Their ‘Second Language Self’

Authors: Dianah Kitiabi

Abstract:

This study examines the experiences of graduate international students in Study Abroad (SA) in order to understand the evolution of their second language (L2) skills during the period of their sojourn abroad. The study documents students’ perspectives through analysis of interview data situated within the context of their overall SA experience. Based on a phenomenological approach, the study focuses on a sample of nine graduate students with at least one year of SA experience. Gass & Mackey’s (2007) interaction approach and Vygotsky’s (1962) sociocultural theory help frame the study within the discourse of second language acquisition (SLA) in SA, such as to highlight the effects of SA on L2 skills of advanced-level learners. The findings of the study are first presented as individual case vignettes where students’ interpretations of their personal experiences are described in entirety, followed by an analysis across the cases that highlight emergent themes. The results of this study show that the linguistic outcomes of international students studying abroad are highly individualized. Although students reported to have improved some of their L2 skills, they also reported a lack of improvement in other L2 skills, most of which differed by case. What emerges is that besides contextual factors, students’ pre-program exposure to L2, interactions with NSs, frequency of L2 use in context, and personal beliefs contribute to their linguistic gains in SA.

Keywords: context, interaction, second language acquisition, study abroad

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5472 Immersive and Non-Immersive Virtual Reality Applied to the Cervical Spine Assessment

Authors: Pawel Kiper, Alfonc Baba, Mahmoud Alhelou, Giorgia Pregnolato, Michela Agostini, Andrea Turolla

Abstract:

Impairment of cervical spine mobility is often related to pain triggered by musculoskeletal disorders or direct traumatic injuries of the spine. To date, these disorders are assessed with goniometers and inclinometers, which are the most popular devices used in clinical settings. Nevertheless, these technologies usually allow measurement of no more than two-dimensional range of motion (ROM) quotes in static conditions. Conversely, the wide use of motion tracking systems able to measure 3 to 6 degrees of freedom dynamically, while performing standard ROM assessment, are limited due to technical complexities in preparing the setup and high costs. Thus, motion tracking systems are primarily used in research. These systems are an integral part of virtual reality (VR) technologies, which can be used for measuring spine mobility. To our knowledge, the accuracy of VR measure has not yet been studied within virtual environments. Thus, the aim of this study was to test the reliability of a protocol for the assessment of sensorimotor function of the cervical spine in a population of healthy subjects and to compare whether using immersive or non-immersive VR for visualization affects the performance. Both VR assessments consisted of the same five exercises and random sequence determined which of the environments (i.e. immersive or non-immersive) was used as first assessment. Subjects were asked to perform head rotation (right and left), flexion, extension and lateral flexion (right and left side bending). Each movement was executed five times. Moreover, the participants were invited to perform head reaching movements i.e. head movements toward 8 targets placed along a circular perimeter each 45°, visualized one-by-one in random order. Finally, head repositioning movement was obtained by head movement toward the same 8 targets as for reaching and following reposition to the start point. Thus, each participant performed 46 tasks during assessment. Main measures were: ROM of rotation, flexion, extension, lateral flexion and complete kinematics of the cervical spine (i.e. number of completed targets, time of execution (seconds), spatial length (cm), angle distance (°), jerk). Thirty-five healthy participants (i.e. 14 males and 21 females, mean age 28.4±6.47) were recruited for the cervical spine assessment with immersive and non-immersive VR environments. Comparison analysis demonstrated that: head right rotation (p=0.027), extension (p=0.047), flexion (p=0.000), time (p=0.001), spatial length (p=0.004), jerk target (p=0.032), trajectory repositioning (p=0.003), and jerk target repositioning (p=0.007) were significantly better in immersive than non-immersive VR. A regression model showed that assessment in immersive VR was influenced by height, trajectory repositioning (p<0.05), and handedness (p<0.05), whereas in non-immersive VR performance was influenced by height, jerk target (p=0.002), head extension, jerk target repositioning (p=0.002), and by age, head flex/ext, trajectory repositioning, and weight (p=0.040). The results of this study showed higher accuracy of cervical spine assessment when executed in immersive VR. The assessment of ROM and kinematics of the cervical spine can be affected by independent and dependent variables in both immersive and non-immersive VR settings.

Keywords: virtual reality, cervical spine, motion analysis, range of motion, measurement validity

Procedia PDF Downloads 167
5471 Effective Coaching for Teachers of English Language Learners: A Gap Analysis Framework

Authors: Armando T. Zúñiga

Abstract:

As the number of English Language Learners (ELLs) in public schools continues to grow, so does the achievement gap between ELLs and other student populations. In an effort to support classroom teachers with effective instructional strategies for this student population, many districts have created instructional coaching positions specifically to support classroom teachers of ELLs—ELL Teachers on Special Assignment (ELL TOSAs). This study employed a gap analysis framework to the ELL TOSA professional support program in one California school district to examine knowledge, motivation, and organizational influences (KMO) on the ELL TOSAs’ goal of supporting classroom teachers of ELLs. Three themes emerged as a result of data analysis. First, there was evidence to illustrate the interaction between knowledge and the organization. Data from ELL TOSAs indicated an understanding of the role that collaboration plays in coaching and how to operationalize it in their support of teachers. Further, all of the ELL TOSAs indicated they have received professional development on effective strategies for instructional coaching. Additionally, a large percentage of the ELL TOSAs indicated a knowledge of modeling as an effective coaching practice. Accordingly, all of the ELL TOSAs indicated that they had knowledge of feedback as an effective coaching strategy. However, there was not sufficient evidence to support that they learned the latter two strategies through professional development. A second theme surfaced as there was evidence to illustrate an interaction between motivation and the organization. Some ELL TOSAs indicated that their sense of self-efficacy was affected by conflicting roles and expectations for the job. Most of the ELL TOSAs indicated that their sense of self-efficacy was affected by an increased workload brought about by fiscal decision making. Finally, there was evidence illustrating the interaction between the organization and motivation. The majority of the of ELL TOSAs indicated that there is confusion about how their roles are perceived, leaving the ELL TOSAs to feel that their actions did not contribute to instructional change. In conclusion, five research-based recommendations to support ELL TOSA goal attainment and considerations for future research on instructional coaches for classroom teachers of ELLs are provided.

Keywords: English language development, English language acquisition, language and leadership, language coaching, English language learners, second language acquisition

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5470 Interconnected Market Hypothesis: A Conceptual Model of Individualistic, Information-Based Interconnectedness

Authors: James Kinsella

Abstract:

There is currently very little understanding of how the interaction between in- vestors, consumers, the firms (agents) affect a) the transmission of information, and b) the creation and transfer of value and wealth between these two groups. Employing scholarly ideas from multiple research areas (behavioural finance, emotional finance, econo-biology, and game theory) we develop a conceptual the- oretic model (the ‘bow-tie’ model) as a framework for considering this interaction. Our bow-tie model views information transfer, value and wealth creation, and transfer through the lens of “investor-consumer connection facilitated through the communicative medium of the ‘firm’ (agents)”. We confront our bow-tie model with theoretical and practical examples. Next, we utilise consumer and business confidence data alongside index data, to conduct quantitative analy- sis, to support our bow-tie concept, and to introduce the concept of “investor- consumer connection”. We highlight the importance of information persuasiveness, knowledge, and emotional categorization of characteristics in facilitating a communicative relationship between investors, consumers, and the firm (agents), forming academic and practical applications of the conceptual bow-tie model, alongside applications to wider instances, such as those seen within the Covid-19 pandemic.

Keywords: behavioral finance, emotional finance, economy-biology, social mood

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5469 An Inverse Docking Approach for Identifying New Potential Anticancer Targets

Authors: Soujanya Pasumarthi

Abstract:

Inverse docking is a relatively new technique that has been used to identify potential receptor targets of small molecules. Our docking software package MDock is well suited for such an application as it is both computationally efficient, yet simultaneously shows adequate results in binding affinity predictions and enrichment tests. As a validation study, we present the first stage results of an inverse-docking study which seeks to identify potential direct targets of PRIMA-1. PRIMA-1 is well known for its ability to restore mutant p53's tumor suppressor function, leading to apoptosis in several types of cancer cells. For this reason, we believe that potential direct targets of PRIMA-1 identified in silico should be experimentally screened for their ability to inhibitcancer cell growth. The highest-ranked human protein of our PRIMA-1 docking results is oxidosqualene cyclase (OSC), which is part of the cholesterol synthetic pathway. The results of two followup experiments which treat OSC as a possible anti-cancer target are promising. We show that both PRIMA-1 and Ro 48-8071, a known potent OSC inhibitor, significantly reduce theviability of BT-474 breast cancer cells relative to normal mammary cells. In addition, like PRIMA-1, we find that Ro 48-8071 results in increased binding of mutant p53 to DNA in BT- 474cells (which highly express p53). For the first time, Ro 48-8071 is shown as a potent agent in killing human breast cancer cells. The potential of OSC as a new target for developing anticancer therapies is worth further investigation.

Keywords: inverse docking, in silico screening, protein-ligand interactions, molecular docking

Procedia PDF Downloads 448
5468 Study of Ion Density Distribution and Sheath Thickness in Warm Electronegative Plasma

Authors: Rajat Dhawan, Hitendra K. Malik

Abstract:

Electronegative plasmas comprising electrons, positive ions, and negative ions are advantageous for their expanding applications in industries. In plasma cleaning, plasma etching, and plasma deposition process, electronegative plasmas are preferred because of relatively less potential developed on the surface of the material under investigation. Also, the presence of negative ions avoid the irregularity in etching shapes and also enhance the material working during the fabrication process. The interaction of metallic conducting surface with plasma becomes mandatory to understand these applications. A metallic conducting probe immersed in a plasma results in the formation of a thin layer of charged species around the probe called as a sheath. The density of the ions embedded on the surface of the material and the sheath thickness are the important parameters for the surface-plasma interaction. Sheath thickness will give rise to the information of affected plasma region due to conducting surface/probe. The knowledge of the density of ions in the sheath region is advantageous in plasma nitriding, and their temperature is equally important as it strongly influences the thickness of the modified layer during surface plasma interaction. In the present work, we considered a negatively biased metallic probe immersed in a warm electronegative plasma. For this system, we adopted the continuity equation and momentum transfer equation for both the positive and negative ions, whereas electrons are described by Boltzmann distribution. Finally, we use the Poisson’s equation. Here, we assumed the spherical geometry for small probe radius. Poisson’s equation reveals the behaviour of potential surrounding a conducting metallic probe along with the use of the continuity and momentum transfer equations, with the help of proper boundary conditions. In turn, it gives rise to the information about the density profile of charged species and most importantly the thickness of the sheath. By keeping in mind, the well-known Bohm-Sheath criterion, all calculations are done. We found that positive ion density decreases with an increase in positive ion temperature, whereas it increases with the higher temperature of the negative ions. Positive ion density decreases as we move away from the center of the probe and is found to show a discontinuity at a particular distance from the center of the probe. The distance where discontinuity occurs is designated as sheath edge, i.e., the point where sheath ends. These results are beneficial for industrial applications, as the density of ions embedded on material surface is strongly affected by the temperature of plasma species. It has a drastic influence on the surface properties, i.e., the hardness, corrosion resistance, etc. of the materials.

Keywords: electronegative plasmas, plasma surface interaction positive ion density, sheath thickness

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5467 Effect of Naphtha on the Composition of a Heavy Crude, in Addition to a Cycle Steam Stimulation Process

Authors: A. Guerrero, A. Leon, S. Munoz, M. Sandoval

Abstract:

The addition of solvent to cyclic steam stimulation is done in order to reduce the solvent-vapor ratio at late stages of the process, the moment in which this relationship increases significantly. The study of the use of naphtha in addition to the cyclic steam stimulation has been mainly oriented to the effect it achieves on the incremental recovery compared to the application of steam only. However, the effect of naphtha on the reactivity of crude oil components under conditions of cyclic steam stimulation or if its effect is the only dilution has not yet been considered, to author’s best knowledge. The present study aims to evaluate and understand the effect of naphtha and the conditions of cyclic steam stimulation, on the remaining composition of the improved oil, as well as the main mechanisms present in the heavy crude - naphtha interaction. Tests were carried out with the system solvent (naphtha)-oil (12.5° API, 4216 cP @ 40° C)- steam, in a batch micro-reactor, under conditions of cyclic steam stimulation (250-300 °C, 400 psi). The characterization of the samples obtained was carried out by MALDI-TOF MS (matrix-assisted laser desorption/ionization time-of-flight mass spectrometry) and NMR (Nuclear Magnetic Resonance) techniques. The results indicate that there is a rearrangement of the microstructure of asphaltenes, resulting in a decrease in these and an increase in lighter components such as resins.

Keywords: composition change, cyclic steam stimulation, interaction mechanism, naphtha

Procedia PDF Downloads 136
5466 Unified Coordinate System Approach for Swarm Search Algorithms in Global Information Deficit Environments

Authors: Rohit Dey, Sailendra Karra

Abstract:

This paper aims at solving the problem of multi-target searching in a Global Positioning System (GPS) denied environment using swarm robots with limited sensing and communication abilities. Typically, existing swarm-based search algorithms rely on the presence of a global coordinate system (vis-à-vis, GPS) that is shared by the entire swarm which, in turn, limits its application in a real-world scenario. This can be attributed to the fact that robots in a swarm need to share information among themselves regarding their location and signal from targets to decide their future course of action but this information is only meaningful when they all share the same coordinate frame. The paper addresses this very issue by eliminating any dependency of a search algorithm on the need of a predetermined global coordinate frame by the unification of the relative coordinate of individual robots when within the communication range, therefore, making the system more robust in real scenarios. Our algorithm assumes that all the robots in the swarm are equipped with range and bearing sensors and have limited sensing range and communication abilities. Initially, every robot maintains their relative coordinate frame and follow Levy walk random exploration until they come in range with other robots. When two or more robots are within communication range, they share sensor information and their location w.r.t. their coordinate frames based on which we unify their coordinate frames. Now they can share information about the areas that were already explored, information about the surroundings, and target signal from their location to make decisions about their future movement based on the search algorithm. During the process of exploration, there can be several small groups of robots having their own coordinate systems but eventually, it is expected for all the robots to be under one global coordinate frame where they can communicate information on the exploration area following swarm search techniques. Using the proposed method, swarm-based search algorithms can work in a real-world scenario without GPS and any initial information about the size and shape of the environment. Initial simulation results show that running our modified-Particle Swarm Optimization (PSO) without global information we can still achieve the desired results that are comparable to basic PSO working with GPS. In the full paper, we plan on doing the comparison study between different strategies to unify the coordinate system and to implement them on other bio-inspired algorithms, to work in GPS denied environment.

Keywords: bio-inspired search algorithms, decentralized control, GPS denied environment, swarm robotics, target searching, unifying coordinate systems

Procedia PDF Downloads 138
5465 Rapid, Label-Free, Direct Detection and Quantification of Escherichia coli Bacteria Using Nonlinear Acoustic Aptasensor

Authors: Shilpa Khobragade, Carlos Da Silva Granja, Niklas Sandström, Igor Efimov, Victor P. Ostanin, Wouter van der Wijngaart, David Klenerman, Sourav K. Ghosh

Abstract:

Rapid, label-free and direct detection of pathogenic bacteria is critical for the prevention of disease outbreaks. This paper for the first time attempts to probe the nonlinear acoustic response of quartz crystal resonator (QCR) functionalized with specific DNA aptamers for direct detection and quantification of viable E. coli KCTC 2571 bacteria. DNA aptamers were immobilized through biotin and streptavidin conjugation, onto the gold surface of QCR to capture the target bacteria and the detection was accomplished by shift in amplitude of the peak 3f signal (3 times the drive frequency) upon binding, when driven near fundamental resonance frequency. The developed nonlinear acoustic aptasensor system demonstrated better reliability than conventional resonance frequency shift and energy dissipation monitoring that were recorded simultaneously. This sensing system could directly detect 10⁽⁵⁾ cells/mL target bacteria within 30 min or less and had high specificity towards E. coli KCTC 2571 bacteria as compared to the same concentration of S.typhi bacteria. Aptasensor response was observed for the bacterial suspensions ranging from 10⁽⁵⁾-10⁽⁸⁾ cells/mL. Conclusively, this nonlinear acoustic aptasensor is simple to use, gives real-time output, cost-effective and has the potential for rapid, specific, label-free direction detection of bacteria.

Keywords: acoustic, aptasensor, detection, nonlinear

Procedia PDF Downloads 567
5464 Classification of EEG Signals Based on Dynamic Connectivity Analysis

Authors: Zoran Šverko, Saša Vlahinić, Nino Stojković, Ivan Markovinović

Abstract:

In this article, the classification of target letters is performed using data from the EEG P300 Speller paradigm. Neural networks trained with the results of dynamic connectivity analysis between different brain regions are used for classification. Dynamic connectivity analysis is based on the adaptive window size and the imaginary part of the complex Pearson correlation coefficient. Brain dynamics are analysed using the relative intersection of confidence intervals for the imaginary component of the complex Pearson correlation coefficient method (RICI-imCPCC). The RICI-imCPCC method overcomes the shortcomings of currently used dynamical connectivity analysis methods, such as the low reliability and low temporal precision for short connectivity intervals encountered in constant sliding window analysis with wide window size and the high susceptibility to noise encountered in constant sliding window analysis with narrow window size. This method overcomes these shortcomings by dynamically adjusting the window size using the RICI rule. This method extracts information about brain connections for each time sample. Seventy percent of the extracted brain connectivity information is used for training and thirty percent for validation. Classification of the target word is also done and based on the same analysis method. As far as we know, through this research, we have shown for the first time that dynamic connectivity can be used as a parameter for classifying EEG signals.

Keywords: dynamic connectivity analysis, EEG, neural networks, Pearson correlation coefficients

Procedia PDF Downloads 217
5463 Expression of ULK-1 mRNA in Human Peripheral Blood Mononuclear Cells from Patients with Alzheimer's Disease

Authors: Ali Bayram, Remzi Yiğiter

Abstract:

Objective: Alzheimer's disease (AD), the most common cause of dementia, is a progressive neurodegenerative disease. At present, diagnosis of AD is rather late in the disease. Therefore, we attempted to find peripheral biomarkers for the early diagnosis of AD. Herein, we conducted a study to investigate the unc-51 like autophagy activating kinase-1 (ULK1) mRNA expression levels in human peripheral blood mononuclear cells from patients with Alzheimer's disease. Method: To determine whether ULK1 gene expression are altered in AD patients, we measured their gene expression in human peripheral blood cell in 50 patients with AD and 50 age and gender matched healthy controls by quantitative real-time PCR technique. Results: We found that both ULK1 gene expression in peripheral blood cell were significantly decreased in patients with AD as compared with controls (p <0.05). Lower levels of ULK1 gene expression were significantly associated with the increased risk for AD. Conclusions: Serine/threonine-protein kinase involved in autophagy in response to starvation. Acts upstream of phosphatidylinositol 3-kinase PIK3C3 to regulate the formation of autophagophores, the precursors of autophagosomes. Part of regulatory feedback loops in autophagy: acts both as a downstream effector and negative regulator of mammalian target of rapamycin complex 1 (mTORC1) via interaction with RPTOR. Activated via phosphorylation by AMPK and also acts as a regulator of AMPK by mediating phosphorylation of AMPK subunits PRKAA1, PRKAB2, and PRKAG1, leading to negatively regulate AMPK activity. May phosphorylate ATG13/KIAA0652 and RPTOR; however such data need additional evidences. Plays a role early in neuronal differentiation and is required for granule cell axon formation. Alzheimer is the most common neurodegenerative disease. Our results provide useful information that the ULK1 gene expression is decreased in the neurodegeneration and AD patients with, indicating their possible systemic involvement in AD.

Keywords: Alzheimer’s sisease, ULK1, mRNA expression, RT-PCR

Procedia PDF Downloads 398
5462 A First-Principles Investigation of Magnesium-Hydrogen System: From Bulk to Nano

Authors: Paramita Banerjee, K. R. S. Chandrakumar, G. P. Das

Abstract:

Bulk MgH2 has drawn much attention for the purpose of hydrogen storage because of its high hydrogen storage capacity (~7.7 wt %) as well as low cost and abundant availability. However, its practical usage has been hindered because of its high hydrogen desorption enthalpy (~0.8 eV/H2 molecule), which results in an undesirable desorption temperature of 3000C at 1 bar H2 pressure. To surmount the limitations of bulk MgH2 for the purpose of hydrogen storage, a detailed first-principles density functional theory (DFT) based study on the structure and stability of neutral (Mgm) and positively charged (Mgm+) Mg nanoclusters of different sizes (m = 2, 4, 8 and 12), as well as their interaction with molecular hydrogen (H2), is reported here. It has been found that due to the absence of d-electrons within the Mg atoms, hydrogen remained in molecular form even after its interaction with neutral and charged Mg nanoclusters. Interestingly, the H2 molecules do not enter into the interstitial positions of the nanoclusters. Rather, they remain on the surface by ornamenting these nanoclusters and forming new structures with a gravimetric density higher than 15 wt %. Our observation is that the inclusion of Grimme’s DFT-D3 dispersion correction in this weakly interacting system has a significant effect on binding of the H2 molecules with these nanoclusters. The dispersion corrected interaction energy (IE) values (0.1-0.14 eV/H2 molecule) fall in the right energy window, that is ideal for hydrogen storage. These IE values are further verified by using high-level coupled-cluster calculations with non-iterative triples corrections i.e. CCSD(T), (which has been considered to be a highly accurate quantum chemical method) and thereby confirming the accuracy of our ‘dispersion correction’ incorporated DFT calculations. The significance of the polarization and dispersion energy in binding of the H2 molecules are confirmed by performing energy decomposition analysis (EDA). A total of 16, 24, 32 and 36 H2 molecules can be attached to the neutral and charged nanoclusters of size m = 2, 4, 8 and 12 respectively. Ab-initio molecular dynamics (AIMD) simulation shows that the outermost H2 molecules are desorbed at a rather low temperature viz. 150 K (-1230C) which is expected. However, complete dehydrogenation of these nanoclusters occur at around 1000C. Most importantly, the host nanoclusters remain stable up to ~500 K (2270C). All these results on the adsorption and desorption of molecular hydrogen with neutral and charged Mg nanocluster systems indicate towards the possibility of reducing the dehydrogenation temperature of bulk MgH2 by designing new Mg-based nano materials which will be able to adsorb molecular hydrogen via this weak Mg-H2 interaction, rather than the strong Mg-H bonding. Notwithstanding the fact that in practical applications, these interactions will be further complicated by the effect of substrates as well as interactions with other clusters, the present study has implications on our fundamental understanding to this problem.

Keywords: density functional theory, DFT, hydrogen storage, molecular dynamics, molecular hydrogen adsorption, nanoclusters, physisorption

Procedia PDF Downloads 416