Search results for: molecular mobility

Authors: Claudia Donoso

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This study compares the restriction of mobility of migrants and asylum seekers during the COVID-19 pandemic in the United States and Ecuador. Based on the discourse analysis of anti-migrant rhetoric in press articles, migrant stories in the press, reports, and border control practices, the study examines the Ecuadorian government’s response to the migration flow of Venezuelans and the United States enforcement practices against Latin American asylum seekers. By exploring Giorgio Agamben’s concept of bare life, the article argues that this failure to protect mobility rights is due to the United States and Ecuador’s views of forced migrants as bare life and carriers of the virus, justifying xenophobia, resistance to humanitarian international law, and exceptionalism. By drawing on a feminist intersectional approach, the study adds to recent research on the securitization of forced migration and challenge the race/ethnicity, immigration status, class, and nationality-based discrimination of the measures undertaken during the pandemic. The article illustrates how the treatment of forced migrants as bare life was aggravated by their intersectional inequalities. It concludes by providing recommendations that could be enforced by the US and Ecuadorian governments to protect the right to freedom of mobility.

Keywords: bare life, intersectionality, mobility rights, COVID-19, Ecuador, United States

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Authors: Joshua Harrell, Gideon Osei Bonsu, Susan Garza, Clarence Conner, Da’Neisha Harris, Emma Bukoswki, Zohreh Safari

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The Social Vulnerability Index (SVI) stands as a pivotal tool for gauging community resilience amidst diverse stressors, including pandemics like COVID-19. This paper synthesizes recent research and underscores the significance of SVI in elucidating the differential impacts of crises on communities. Drawing on studies by Fox et al. (2023) and Mah et al. (2023), we delve into the application of SVI alongside emerging data sources to uncover nuanced insights into community vulnerability. Specifically, we explore the utilization of SVI in conjunction with mobility data from platforms like SafeGraph to probe the intricate relationship between social vulnerability and mobility dynamics during the COVID-19 pandemic. By leveraging 16 community variables derived from the American Community Survey, including socioeconomic status and demographic characteristics, SVI offers actionable intelligence for guiding targeted interventions and resource allocation. Building upon recent advancements, this paper contributes to the discourse on harnessing AI techniques to mitigate health disparities and fortify public health resilience in the face of pandemics and other crises.

Keywords: social vulnerability index, mobility dynamics, data analytics, health equity, pandemic preparedness, targeted interventions, data integration

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Authors: Yasin Ghasemi-Zadeh, Yousef Kavian

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Wireless body area networks (WBANs) technology has achieved lots of popularity over the last decade with a wide range of medical applications. This paper presents an asynchronous media access control (MAC) protocol based on B-MAC protocol by giving an application for medical issues. In WBAN applications, there are some serious problems such as energy, latency, link reliability (quality of wireless link) and throughput which are mainly due to size of sensor networks and human body specifications. To overcome these problems and improving link reliability, we concentrated on MAC layer that supports mobility models for medical applications. In the presented protocol, preamble frames are divided into some sub-frames considering the threshold level. Actually, the main reason for creating shorter preambles is the link reliability where due to some reasons such as water, the body signals are affected on some frequency bands and causes fading and shadowing on signals, therefore by increasing the link reliability, these effects are reduced. In case of mobility model, we use MoBAN model and modify that for some more areas. The presented asynchronous MAC protocol is modeled by OMNeT++ simulator. The results demonstrate increasing the link reliability comparing to B-MAC protocol where the packet reception ratio (PRR) is 92% also covers more mobility areas than MoBAN protocol.

Keywords: wireless body area networks (WBANs), MAC protocol, link reliability, mobility, biomedical

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Authors: Hai Hoang, Thanh Xuan Nguyen Thi, Guillaume Galliero

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Coarse-Grained (CG) molecular simulations have shown to be an efficient way to estimate thermophysical (static and dynamic) properties of fluids. Several strategies have been developed and reported in the literature for defining CG molecular models. Among them, those based on a top-down strategy (i.e. CG molecular models related to macroscopic observables), despite being heuristic, have increasingly gained attention. This is probably due to its simplicity in implementation and its ability to provide reasonable results for not only simple but also complex systems. Regarding simple Force-Fields associated with these CG molecular models, it has been found that the four parameters Mie chain model is one of the best compromises to describe thermophysical static properties (e.g. phase diagram, saturation pressure). However, parameterization procedures of these Mie-chain GC molecular models given in literature are generally insufficient to simultaneously provide static and dynamic (e.g. viscosity) properties. To deal with such situations, we have extended the corresponding states by using a quantity associated with the liquid viscosity. Results obtained from molecular simulations have shown that our approach is able to yield good estimates for both static and dynamic thermophysical properties for various real non-associating fluids. In addition, we will show that on simple (e.g. phase diagram, saturation pressure) and complex (e.g. thermodynamic response functions, thermodynamic energy potentials) static properties, results of our scheme generally provides improved results compared to existing approaches.

Keywords: coarse-grained model, mie potential, molecular simulations, thermophysical properties, phase equilibria

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Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: Efendi Zaenudin, Chien-Hung Huang, Ka-Lok Ng

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Essential genes play an important role in the survival of an organism. It has been shown that cancer-associated essential genes are genes necessary for cancer cell proliferation, where these genes are potential therapeutic targets. Also, it was demonstrated that mutations of the cancer-associated essential genes give rise to the resistance of immunotherapy for patients with tumors. In the present study, we focus on studying the biological effects of the essential genes from a network perspective. We hypothesize that one can analyze a biological molecular network by decomposing it into both three-node and four-node digraphs (subgraphs). These network subgraphs encode the regulatory interaction information among the network’s genetic elements. In this study, the frequency of occurrence of the subgraph-associated essential genes in a molecular network was quantified by using the statistical parameter, odds ratio. Biological effects of subgraph-associated essential genes are discussed. In summary, the subgraph approach provides a systematic method for analyzing molecular networks and it can capture useful biological information for biomedical research.

Keywords: biological molecular networks, essential genes, graph theory, network subgraphs

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Authors: Guanlin Wu, Jiajia Yao, Fang Liu, Junshuai Xue, Jincheng Zhang, Yue Hao

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Owing to the excellent thermal conductivity and ultra-wide bandgap, Aluminum nitride (AlN)/Gallium nitride (GaN) is a highly promising material to achieve high breakdown voltage and output power devices among III-nitrides. In this study, we explore the growth and characterization of polarization-induced AlN/GaN heterostructures using plasma-assisted molecular beam epitaxy (PA-MBE) on AlN-on-sapphire templates. To improve the crystal quality and demonstrate the effectiveness of the PA-MBE approach, a thick AlN buffer of 180 nm was first grown on the AlN-on sapphire template. This buffer acts as a back-barrier to enhance the breakdown characteristic and isolate leakage paths that exist in the interface between the AlN epilayer and the AlN template. A root-mean-square roughness of 0.2 nm over a scanned area of 2×2 µm2 was measured by atomic force microscopy (AFM), and the full-width at half-maximum of (002) and (102) planes on the X-ray rocking curve was 101 and 206 arcsec, respectively, using by high-resolution X-ray diffraction (HR-XRD). The electron mobility of 443 cm2/Vs with a carrier concentration of 2.50×1013 cm-2 at room temperature was achieved in the AlN/GaN heterostructures by using a polarization-induced GaN channel. The low depletion capacitance of 15 pF is resolved by the capacitance-voltage. These results indicate that the polarization-induced AlN/GaN heterostructures have great potential for next-generation high-temperature, high-frequency, and high-power electronics.

Keywords: AlN, GaN, MBE, heterostructures

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Authors: Y. Megrous, A. Chouaih, F. Hamzaoui

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The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction

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Authors: Takahiro Ishizaki, Shutaro Hisada, Oi Lun Li

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Control of surface wettability is very important in various industrial fields. Thus, contact angle hysteresis which is defined as the difference between advancing and receding water contact angles has been paid attention because the surface having low contact angle hysteresis can control wetting behavior of water droplet. Self-assembled monolayer (SAM) formed using organic silane molecules has been used to control surface wettability, in particular, static contact angles, however, the effect of alkyl-chain length in organic silane molecules on the contact angle hysteresis has not yet clarified. In this study, we aimed to investigate the effect of alkyl-chain length (C1-C18) in organic silane molecules on the contact angle hysteresis. SAMs were formed on Si wafer by thermal CVD method using silane coupling agents having different alkyl-chain length. The static water contact angles increased with an increase in the alkyl-chain length. On the other hand, although the water contact angle hysteresis tended to decrease with an increase in the alkyl-chain length, in case of the alkyl-chain length of more than C16 the contact angle hysteresis increased. This could be due to the decrease in the molecular mobility because of the increase in the molecular packing density in chemisorbed silane molecules.

Keywords: alkyl-chain length, self-assembled monolayer, silane coupling agent, surface wettability

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Authors: Julia Reinold, Inge Hooijen, Christoph Meng, Melissa Siegel

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This paper investigates whether or not students intend to stay in the Euregio Meuse-Rhine (EMR) after graduation taking into account the role of hard and soft locational factors, social factors as well as demographic aspects in shaping their mobility preferences. Since graduates are considered a convenient source of human capital in today’s knowledge based economy, it is crucial to understand what drives their mobility intentions in order to retain larger numbers of graduates. This is particularly true for peripheral regions, which need to compete with assumed more attractive economic centres. This paper adds a euregional perspective to the existing literature on graduate migration. Using survey data from 2015 from five higher education institutions in the EMR, this paper finds that mobility intentions are determined by students’ perceptions of the quality of life, openness and career opportunities in the euroregion. In addition, distance to the partner and other social ties such as family and friends influence migration intentions.

Keywords: Euroregion, graduate migration, highly skilled migration, human capital

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Authors: Paola Quintana, Angélica Vaca, Sebastián Villacres, Henry Acurio

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Ecuador through the Organic Law of Energy Efficiency establishes that "Starting in the year 2025, all vehicles that are incorporated into the urban and inter-parroquial public transport service must only be electric”, this marks a foundation for the introduction of electric mobility in the country. The present investigation is based on developing an analysis and projection of the Energy Required for the incorporation of electric buses for public passenger transport in the city of Ambato-Ecuador, taking into account the useful life of the vehicle fleet, number of existing vehicles and analysis of transport routes in the study city. The energy demand based on the vehicular dynamics is analyzed, determination of equations for the calculation of force in the wheel since it is considered a variable of slope due to the fact that this has a great incidence in the autonomy when speaking of electric mobility, later the energy analysis applied to public transport routes, finally a projection of the energy requirement is made based on the change of public transport units according to their useful life.

Keywords: public transport, electric mobility, energy, ecuador

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Authors: Adrián P. Gómez Mañas

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Autonomous vehicles have already transformed urban policies and cities. This is the main assumption of our research, which aims to understand how the representations of the possible arrival of autonomous vehicles already transform priorities or actions in transport and more largely, urban policies. This research is done within the framework of a Ph.D. doctorate directed by Professor Xavier Desjardins at the Sorbonne University of Paris. Our hypotheses are: (i) the perspectives, representations, and imaginaries on autonomous vehicles already affect the stakeholders of urban policies; (ii) the discourses on the opportunities or threats of autonomous vehicles reflect the current strategies of the stakeholders. Each stakeholder tries to integrate a discourse on autonomous vehicles that allows them to change as little as possible their current tactics and strategies. The objective is to eventually make a comparison between three different cases: Paris, United Arab Emirates, and Bogota. We chose those territories because their contexts are very different, but they all have important interests in mobility and innovation, and they all have started to reflect on the subject of self-driving mobility. The main methodology used is to interview actors of the metropolitan area (local officials, leading urban and transport planners, influent experts, and private companies). This work is supplemented with conferences, official documents, press articles, and websites. The objective is to understand: 1) What they know about autonomous vehicles and where does their knowledge come from; 2) What they expect from autonomous vehicles; 3) How their ideas about autonomous vehicles are transforming their action and strategy in managing daily mobility, investing in transport, designing public spaces and urban planning. We are going to present the research and some preliminary results; we will show that autonomous vehicles are often viewed by public authorities as a lever to reach something else. We will also present that speeches are very influenced by local context (political, geographical, economic, etc.), creating an interesting balance between global and local influences. We will analyze the differences and similarities between the three cases and will try to understand which are the causes.

Keywords: autonomous vehicles, self-driving mobility, urban planning, urban mobility, transport, public policies

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Authors: I-Ling Chang, Jer-An Chen

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The elastic properties and fracture of two-dimensional graphene were calculated purely from the atomic bonding (stretching and bending) based on molecular mechanics method. Considering the representative unit cell of graphene under various loading conditions, the deformations of carbon bonds and the variations of the interlayer distance could be realized numerically under the geometry constraints and minimum energy assumption. In elastic region, it was found that graphene was in-plane isotropic. Meanwhile, the in-plane deformation of the representative unit cell is not uniform along armchair direction due to the discrete and non-uniform distributions of the atoms. The fracture of graphene could be predicted using fracture criteria based on the critical bond length, over which the bond would break. It was noticed that the fracture behavior were directional dependent, which was consistent with molecular dynamics simulation results.

Keywords: energy minimization, fracture, graphene, molecular mechanics

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Authors: Jing Zhao, Yongqing Bai, Qiaofang Shi, Huaihao Zhang

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Advances in software technology enable computational chemistry to be commonly applied in various research fields, especially in pedagogy. Thus, in order to expand and improve experimental instructions of computational chemistry for undergraduates, we designed an introductory experiment—research on acrylamide molecular structure and physicochemical properties. Initially, students construct molecular models of acrylamide and polyacrylamide in Gaussian and Materials Studio software respectively. Then, the infrared spectral data, atomic charge and molecular orbitals of acrylamide as well as solvation effect of polyacrylamide are calculated to predict their physicochemical performance. At last, rheological experiments are used to validate these predictions. Through the combination of molecular simulation (performed on Gaussian, Materials Studio) with experimental verification (rheology experiment), learners have deeply comprehended the chemical nature of acrylamide and polyacrylamide, achieving good learning outcomes.

Keywords: upper-division undergraduate, computer-based learning, laboratory instruction, molecular modeling

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Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

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Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

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Authors: N. Elgendy, N. Hussein

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The current Syrian crisis has caused unprecedented practices of global mobility. The process of forced eviction and the resettlement of refugees could be seen through the insights of the “new mobilities paradigm”. The mobility of refugees in terms of meaning and practice is a subject that calls for further studies. There is a need for the development of an approach to human mobility to understand a practice that is turning into a phenomenon in the 21^st century. This paper aims at studying, from a qualitative point of view, the process of movement within the six constituents of mobility defined as the first phase of the journey of a refugee. The second phase would include the process of settling in and re-defining the host country as new “home” to refugees. The change in the refugee state of mind and crossing the physical and mental borders from a “foreigner” to a citizen is encouraged by both the governmental policies and the local communities’ efforts to embrace these newcomers. The paper would focus on these policies of social and economic integration. The concept of integration connotes the idea that refugees would enjoy the opportunities, rights and services available to the citizens of the refugee’s new community. So, this paper examines this concept through showcasing the two hosting countries of Canada and Egypt, as they provide two contrasting situations in terms of cultural, geographical, economic and political backgrounds. The analysis would highlight the specific policies defined towards the refugees including the mass communication, media calls, and access to employment. This research is part of a qualitative research project on the process of Urban Mobility practiced by the Syrian Refugees, drawing on conversational interviews with new-settlers who have moved to the different hosting countries, from their home in Syria. It explores these immigrants’ practical and emotional relationships with the process of movement and settlement. It uses the conversational interviews as a tool to document analysis and draw relationships in an attempt to establish an understanding of the factors that contribute to the new-settlers feeling of home and integration within the new community.

Keywords: integration, mobility, policy, refugees

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Authors: Soufiene Ilahi

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We have used Photothermal deflection spectroscopy PTD to investigate the impact of doping on electronics properties of bulk. Then, the extraction of these parameters is performed by fitting the theoretical curves to the experimental PTD ones. We have remarked that electron mobility in p type C-doped GaAs is about 300 cm2/V·s. Accordinagly, the diffusion length of minority carrier lifetime is equal to 5 (± 7%), 5 (± 4,4%) and 1.42 µm (± 7,2 %) for the Cr, C and Si doped GaAs respectively. Surface recombination velocity varies randomly that can be found around of 7942 m/s, 100 m/s and 153 m/s GaAs doped Si, Cr, C, respectively.

Keywords: nonradiative lifetime, mobility of minority carrier, diffusion length, surface and interface recombination in GaAs

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Authors: Alexandre Rabaseda, Emelie Seguin, Marc Doumit

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Human mobility exoskeletons have been in development for several years and are becoming increasingly efficient. Unfortunately, user comfort was not always a priority design criterion throughout their development. To further improve this technology, exoskeletons should operate and deliver assistance without causing discomfort to the user. For this, improvements are necessary from an ergonomic point of view. The device’s control method is important when endeavoring to enhance user comfort. Exoskeleton or rehabilitation device controllers use methods of control called interaction controls (admittance and impedance controls). This paper proposes an extended version of an admittance controller to enhance user comfort. The control method used consists of adding an inner loop that is controlled by a proportional-integral-derivative (PID) controller. This allows the interaction force to be kept as close as possible to the desired force trajectory. The force-tracking admittance controller modifies the actuation force of the system in order to follow both the desired motion trajectory and the desired relative force between the user and the exoskeleton.

Keywords: mobility assistive device, exoskeleton, force-tracking admittance controller, user comfort

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Authors: Azizi Cherifa, O. Benzaoui

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The thermal aspects in the design of power circuits often deserve as much attention as pure electric components aspects as the operating temperature has a direct influence on their static and dynamic characteristics. MOSFET is fundamental in the circuits, it is the most widely used device in the current production of semiconductor components using their honorable performance. The aim of this contribution is devoted to the effect of the temperature on the properties of MOSFETs. The study enables us to calculate the drain current as function of bias in both linear and saturated modes. The effect of temperature is evaluated using a numerical simulation, using the laws of mobility and saturation velocity of carriers as a function of temperature.

Keywords: temperature, MOSFET, mobility, transistor

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Authors: Farzaneh Bahrami

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Different indicators, such as modal shares in mobility practices or car ownership, may suggest that the century of car dominance - at least in Europe and North America - is already behind us. If the emergence of the car had radical spatial and social consequences, what would be the implications of its gradual disappearance - which could be expected in the context of ecological consciousness, economic and energetic constraints as a result of both urban policies as well as lifestyle choices? To what extend shall urban experts account for this limited but visible transition from car-dominated systems towards alternative models of mobility in which the individual-motorized mobility (car) is not central; what models of urbanity could be imagined to support such a transformation? We have examined a selection of projects at different scales and within different contexts - new planned cities, dense urban areas or territories of dispersion – whose visions involve a significant shift from the current car system. We have been looking into their tools, strategies and different measures of car reduction, as well as their varied approaches to public space as an inevitable corollary to this change. The car’s dominance was formerly questioned by advocates of public space, rather than through interests in ecological urban design or other urban planning concerns. In the 60s already a universal longing for the qualities of traditional urban space led to a critique of the proliferation of fast roads, and thus the car’s colonization of everyday life. Reclamation of public space as the city’s quintessential social territory reappears today in contemporary discourses and reinforces the shift-provoking trends towards a new urbanity freed from car dominance. In a hypothetical process of the progressive phasing-out of the car, we shall expect fundamental transformations in spatial practices of the city, accompanied by the physical configuration of its public spaces. What will be the main characteristics of the new emerging spaces of sociability and where shall we encounter them? This contribution is an ongoing research within the framework of Post-Car World, an interdisciplinary project that explores the future of mobility through the role of the car.

Keywords: mobility, urbanity, future visions, public space

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Authors: Grzegorz Sierpiński, Ireneusz Celiński, Marcin Staniek

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The article discusses multi modal mobility in contemporary societies as a main planning and organization issue in the functioning of administrative bodies, a problem which really exists in the space of contemporary cities in terms of shaping modern transport systems. The article presents classification of available resources and initiatives undertaken for developing multi modal mobility. Solutions can be divided into three groups of measures–physical measures in the form of changes of the transport network infrastructure, organizational ones (including transport policy) and information measures. The latter ones include in particular direct support for people travelling in the transport network by providing information about ways of using available means of transport. A special measure contributing to this end is a trip planner. The article compares several selected planners. It includes a short description of the Green Travelling Project, which aims at developing a planner supporting environmentally friendly solutions in terms of transport network operation. The article summarizes preliminary findings of the project.

Keywords: mobility, modal split, multimodal trip, multimodal platforms, sustainable transport

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Authors: Asrat M.Belachew, Tiago Pereira, Institute of Mathematics, Computer Sciences, Avenida Trabalhador São Carlense, 400, São Carlos, 13566-590, Brazil

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Infectious diseases are among the most prominent threats to human beings. They cause morbidity and mortality to an individual and collapse the social, economic, and political systems of the whole world collectively. Mathematical models are fundamental tools and provide a comprehensive understanding of how infectious diseases spread and designing the control strategy to mitigate infectious diseases from the host population. Modeling the spread of infectious diseases using a compartmental model of inhomogeneous populations is good in terms of complexity. However, in the real world, there is a situation that accounts for heterogeneity, such as ages, locations, and contact patterns of the population which are ignored in a homogeneous setting. In this work, we study how classical an SEIR infectious disease spreading of the compartmental model can be extended by incorporating the mobility of population between heterogeneous cities during an outbreak of infectious disease. We have formulated an SEIR multi-cities epidemic spreading model using a system of 4k ordinary differential equations to describe the disease transmission dynamics in k-cities during the day and night. We have shownthat the model is epidemiologically (i.e., variables have biological interpretation) and mathematically (i.e., a unique bounded solution exists all the time) well-posed. We constructed the next-generation matrix (NGM) for the model and calculated the basic reproduction number R0for SEIR-epidemic spreading model with cities mobility. R0of the disease depends on the spectral radius mobility operator, and it is a threshold between asymptotic stability of the disease-free equilibrium and disease persistence. Using the eigenvalue perturbation theorem, we showed that sending a fraction of the population between cities decreases the reproduction number of diseases in interconnected cities. As a result, disease transmissiondecreases in the population.

Keywords: SEIR-model, mathematical model, city mobility, epidemic spreading

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Authors: Salem El-Tohami Ashoor

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Here we show that the reduction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, this was optimization by using density functional theory (DFT) and then was comparing with experimental data, also other possibility of Cp interacted with ion metal were tested like η1 ,η2 ,η3 and η4 under optimization system. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP ( Becke)( Lee–Yang–Parr ) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of chromium cyclopentadienyl. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium(III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO

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Authors: Siqin Wang, Jonathan Corcoran, Yan Liu, Thomas Sigler

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Australia is a quintessentially immigrant nation with 28 percent of its residents being foreign-born. By 2011, People’s Republic of China (PRC) overtook the United Kingdom to become the largest source country in Australia. Significantly, the profile of PRC-born migrants has changed to mirror broader global shifts towards high-skilled labour, education-related, and investment-focussed migration, all of which reflect an increasing trend in the mobility of wealthy and/or educated cohorts. Together, these coalesce to form a more complex pattern of migrant settlement –both spatially and socio-economically. This paper focuses on the PRC-born migration, redresses these lacunae, with regard to the settlement outcomes of PRC migrants to Australia, with a particular focus on spatial evolution and residential mobility at both the metropolitan and national scales. By drawing on Census Data and migration Micro Datasets, the aim of this paper is to examine the shifting dynamics of PRC-born migrants in Australian capital cities to unveil their socioeconomic characteristics, residential patterns and change of spatial concentrations during their transition into the new host society. This paper finds out three general patterns in the residential evolution of PRC-born migrants depending on the size of capital cities where they settle down, as well as the association of socio-economic characters with the formation of enclaves. It also examines the residential mobility across states and cities from 2001 to 2011 indicating the rising status of median-size Australian capital cities for receiving PRC-born migrants. The paper concludes with a discussion of evidences for policy formation, facilitates the effective transition of PRC-born populations into the mainstream of host society and enhances social harmony to help Australia become a more successful multicultural nation.

Keywords: Australia, Chinese migrants, residential mobility, spatial evolution

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Authors: Pooja Sanathkumar, Srinidhi Murali, Sethuraman TV, Saravanan M, Paventhan Arumugam, Ashwin Ashok

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The last decade has witnessed a significant interest in visible light communication (VLC) technology, as VLC can potentially achieve high data rate links and secure communication channels. However, the use of VLC under mobile settings is fundamentally limited as its a line-of-sight (LOS) technology and there has been limited breakthroughs in realizing VLC for mobile settings. In this regard, this work targets to study the VLC channel under mobility. Through a use-case study analysis with experiment data traces this paper presents an empirical VLC channel study considering the application of VLC for smart lighting in an indoor room environment. This paper contributes a calibration study of a prototype VLC smart lighting system in an indoor environment and through the inferences gained from the calibration, and considering a user is carrying a mobile device fit with a VLC receiver, this work presents recommendations for user's position adjustments, with the goal to ensure maximum connectivity across the room.

Keywords: visible light communication, mobility, empirical study, channel characterization

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Authors: Salman Naseer

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One of the main challenges of operating a smart city (SC) is collecting the massive data generated from multiple data sources (DS) and to transmit them to the control units (CU) for further data processing and analysis. These ever-increasing data demands require not only more and more capacity of the transmission channels but also results in resource over-provision to meet the resilience requirements, thus the unavoidable waste because of the data fluctuations throughout the day. In addition, the high energy consumption (EC) and carbon discharges from these data transmissions posing serious issues to the environment we live in. Therefore, to overcome the issues of intensive EC and carbon emissions (CE) of massive data dissemination in Smart Cities, we propose an energy efficient and carbon reduction approach by utilizing the daily mobility of the existing vehicles as an alternative communications channel to accommodate the data dissemination in smart cities. To illustrate the effectiveness and efficiency of our approach, we take the Auckland City in New Zealand as an example, assuming massive data generated by various sources geographically scattered throughout the Auckland region to the control centres located in city centre. The numerical results show that our proposed approach can provide up to 5 times lower delay as transferring the large volume of data by utilizing the existing daily vehicles’ mobility than the conventional transmission network. Moreover, our proposed approach offers about 30% less EC and CE than that of conventional network transmission approach.

Keywords: smart city, delay tolerant network, infrastructure offloading, opportunistic network, vehicular mobility, energy consumption, carbon emission

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Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Sinisa Markov, Aleksandar Okljesa, Andrea Nikolic, Marija Sakac, Katarina Penov Gasi

Abstract:

This study considered the microbiological activity determination and molecular docking study for selected steroid derivatives of biomedical importance. Minimal inhibitory concentration (MIC) was determined for steroid derivatives against Staphylococcus aureus using macrodilution method. Some of the investigated steroid derivatives express bacteriostatic effect against Staphylococcus aureus. Molecular docking approaches are the most widely used techniques for predicting the binding mode of a ligand. Molecular docking study was done for steroid derivatives for androgen receptor negative prostate cancer cell line (PC-3) toward Human Cytochrome P450 CYP17A1. The molecules that had the smallest experimental IC50 values confirmed their ability to dock into active place using suitable molecular docking procedure. The binding disposition of those molecules was thoroughly investigated. Microbiological analysis and molecular docking study were conducted with aim to additionally characterize selected steroid derivatives for future investigation regarding their biological activity and to estimate the binding-affinities of investigated derivatives. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation and Science and Technology).

Keywords: binding affinity, minimal inhibitory concentration, molecular docking, pc-3 cell line, staphylococcus aureus, steroids

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Authors: Elisabete Alberdi, Irantzu Álvarez, Laura Girón

Abstract:

The objective of this work is to propose a cycle path or network of paths to the UPV/EHU Campus in Leioa. The proposal will be presented from the point of view of sustainability. In order to achieve this, the roads that are already built will be used, and the road or network will be proposed to be built with the least amount of money possible. To select the most suitable route for the bike lane, various sources of information have been used. Through this data, we analyse the transport infrastructure and the mobility around the UPV/EHU Campus in Leioa. This work aims to satisfy the mobility needs of users on the University Campus to contribute to the sustainability of the campus.

Keywords: cycle lane, sustainability, accessibility, transport, agenda 2030

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Authors: Jong-Won Lee

Abstract:

Since Cloud environment has appeared as the most powerful keyword in the computing industry, the growth in VDI (Virtual Desktop Infrastructure) became remarkable in domestic market. In recent years, with the trend that mobile devices such as smartphones and pads spread so rapidly, the strengths of VDI that allows people to access and perform business on the move along with companies' office needs expedite more rapid spread of VDI. However, although this enhanced accessibility and mobility can bring the enhanced productivity, it sometimes conflicts with the security, so there should be more detailed security solution, which is user authentication. In this paper, mobile OTP (One-Time Password) authentication method is proposed to secure mobile device portability through rapid and secure authentication using mobile devices such as mobile phones or pads, which does not require additional purchase or possession of OTP tokens of users. However, in order to use the service continuously and reliably in the cloud environment, both service provider and user have to prepare for security awareness and security threats, and continuously study the conflicting aspect between the improving user convenience and the security and supplement so that cloud service can provide opportunities to develop as a new growth industry in the future and create a new market in IT industry.

Keywords: cloud, OTP, mobility, security, authentication

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Authors: Jayanthi Sivaraman

Abstract:

Claudins are the important components of the tight junctions that play a key role in paracellular permeability. Among various members of Claudin family, Claudin 4 (CLDN4) is found to be overexpressed in ovarian, pancreatic carcinomas and other epithelial malignancies. Therefore, in this study, an attempt has been made to identify potent inhibitors for CLDN4 from the ZINC database using virtual screening, molecular docking and molecular dynamics simulations. A well refined molecular model of CLDN4 was built using Prime of Schrodinger v10.2(Template- PDB ID: 4P79). Approximately, 6 million compounds from ZINC database are subjected to high-throughput virtual screening (HTVS) against the active site of CLDN4. Molecular docking using GLIDE predicted ARG31, ASN142, ASP146 and ARG158 as critically important residues. Furthermore, three compounds from ZINC database (ZINC96331839, ZINC36533519 and ZINC75819394) showed highly promising ADME properties and binding affinity with stable conformation. The therapeutic efficiency of these lead compounds is evaluated and confirmed by in-vitro and in-vivo studies which leads to the development of novel anti-cancer drugs.

Keywords: ADME property, inhibitors, molecular docking, virtual screening

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