Search results for: π⋯π interaction

Authors: Jamaludin Sallim, Rozlina Mohamed, Roslina Abdul Hamid

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In this paper, we proposed an Ant Colony Optimization (ACO) algorithm together with Traveling Salesman Problem (TSP) approach to investigate the clustering problem in Protein Interaction Networks (PIN). We named this combination as ACOPIN. The purpose of this work is two-fold. First, to test the efficacy of ACO in clustering PIN and second, to propose the simple generalization of the ACO algorithm that might allow its application in clustering proteins in PIN. We split this paper to three main sections. First, we describe the PIN and clustering proteins in PIN. Second, we discuss the steps involved in each phase of ACO algorithm. Finally, we present some results of the investigation with the clustering patterns.

Keywords: ant colony optimization algorithm, searching algorithm, protein functional module, protein interaction network

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Authors: Taimur Khan, Zakirullah, Muhammad Shahab

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The SARS-CoV-2 variant BA.2.86 (Omicron) has emerged with unique mutations that may increase its transmission and infectivity. This study investigates how these mutations alter the Omicron receptor-binding domain's interaction network and dynamic properties (RBD) compared to the wild-type virus, focusing on its binding affinity to the human ACE2 (hACE2) receptor. Protein-protein docking and all-atom molecular dynamics simulations were used to analyze structural and dynamic differences. Despite the structural similarity to the wild-type virus, the Omicron variant exhibits a distinct interaction network involving new residues that enhance its binding capacity. The dynamic analysis reveals increased flexibility in the RBD, particularly in loop regions crucial for hACE2 interaction. Mutations significantly alter the secondary structure, leading to greater flexibility and conformational adaptability compared to the wild type. Binding free energy calculations confirm that the Omicron RBD has a higher binding affinity (-70.47 kcal/mol) to hACE2 than the wild-type RBD (-61.38 kcal/mol). These results suggest that the altered interaction network and enhanced dynamics of the Omicron variant contribute to its increased infectivity, providing insights for the development of targeted therapeutics and vaccines.

Keywords: SARS-CoV-2, molecular dynamic simulation, receptor binding domain, vaccine

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Authors: Mohamed M. El Gendy, Ibrahim A. El Arabi, Rafeek W. Abdel-Missih, Omar A. Kandil

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Nonlinear analysis is one of the most important design and safety tools in structural engineering. Based on the finite-element method, a geometrical and material nonlinear analysis of large span reinforced concrete arches is carried out considering soil-structure interaction. The concrete section details and reinforcement distribution are taken into account. The behavior of soil is considered via Winkler's and continuum models. A computer program (NARC II) is specially developed in order to follow the structural behavior of large span reinforced concrete arches up to failure. The results obtained by the proposed model are compared with available literature for verification. This work confirmed that the geometrical and material nonlinearities, as well as soil structure interaction, have considerable influence on the structural response of reinforced concrete arches.

Keywords: nonlinear analysis, reinforced concrete arched structure, soil-structure interaction, geotechnical engineering

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Authors: Shilpa Kapoor, Namrata Yaduvanshi, Pooja Pawar, Sadhna Singh

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A Three Body Interaction Potential (TBIP) model is developed to study the high pressure phase transition of SrS having NaCl (B1) structure at room temperature. This model includes the long range Columbic, three body interaction forces, short range overlap forces operative up to next nearest neighbors and zero point energy effects. We have investigated the phase transition with pressure, volume collapse and second order elastic constants and found results well suited with available experimental data.

Keywords: phase transition, second order elastic constants, three body interaction forces, volume collapses

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Authors: Asmaa Sokrat, Aykut Karaman

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Public and private spaces are major components of the morphology of the city. This research aims to study the interactions between public and private domains in terms of urban space in Casablanca. The research focuses on a general vision of a socio-spatial issue. It plans to identify the public, private, and transition (semi-public, semi-private) spaces as the constituent of the urban space. Moreover, the study investigates the link between public and private spaces with the social dimensions. Additionally, the research argues that the public space is a place of social interaction; as a reflection, this interaction is the intersection between urban space and social connectedness. Besides, social interaction can be the key to distinguishing between the public and private spheres. The methodological approach of the research is based on the literature review and field study. The article is targeting a case study on the old Medina of Casablanca, from daily use of the public and private spaces, the urban tissue, and the urban space types. In conclusion, the research exhibits that a public space could influence the privacy of the residents of a local urban area; thus, this privacy is inverted on the social interaction. This social interaction is the link between the urban space and social connectedness. Hence, this equation affects the typology of the private space.

Keywords: public sphere, private sphere, social connectedness, old Medina of Casablanca

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Authors: Ravi Soni, Irfan Pathan, Manish Pande

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The current product development process needs simultaneous consideration of different physics. The performance of the product needs to be considered under both structural and fluid loads. Examples include ducts and valves where structural behavior affects fluid motion and vice versa. Simulation of fluid-structure interaction involves modeling interaction between moving components and the fluid flow. In these scenarios, it is difficult to calculate the damping provided by fluid flow because of dynamic motions of components and the transient nature of the flow. Abaqus Explicit offers general capabilities for modeling fluid-structure interaction with the Coupled Eulerian-Lagrangian (CEL) method. The Coupled Eulerian-Lagrangian technique has been used to simulate fluid spillage through fuel valves during dynamic closure events. The technique to simulate pressure drops across Eulerian domains has been developed using stagnation pressure. Also, the fluid flow is calculated considering material flow through elements at the outlet section of the valves. The methodology has been verified on Eaton products and shows a good correlation with the test results.

Keywords: Coupled Eulerian-Lagrangian Technique, fluid structure interaction, spillage prediction, stagnation pressure

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Authors: Shayli Varasteh Moradi, Wayne A. Johnston, Dejan Gagoski, Kirill Alexandrov

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The demand for a rapid and more efficient technique to identify protein-protein interaction particularly in the areas of therapeutics and diagnostics development is growing. The method described here is a rapid in vitro protein-protein interaction analysis approach based on AlphaLISA technology combined with Leishmania tarentolae cell-free protein production (LTE) system. Cell-free protein synthesis allows the rapid production of recombinant proteins in a multiplexed format. Among available in vitro expression systems, LTE offers several advantages over other eukaryotic cell-free systems. It is based on a fast growing fermentable organism that is inexpensive in cultivation and lysate production. High integrity of proteins produced in this system and the ability to co-express multiple proteins makes it a desirable method for screening protein interactions. Following the translation of protein pairs in LTE system, the physical interaction between proteins of interests is analysed by AlphaLISA assay. The assay is performed using unpurified in vitro translation reaction and therefore can be readily multiplexed. This approach can be used in various research applications such as epitope mapping, antigen-antibody analysis and protein interaction network mapping. The intra-viral protein interaction network of Zika virus was studied using the developed technique. The viral proteins were co-expressed pair-wise in LTE and all possible interactions among viral proteins were tested using AlphaLISA. The assay resulted to the identification of 54 intra-viral protein-protein interactions from which 19 binary interactions were found to be novel. The presented technique provides a powerful tool for rapid analysis of protein-protein interaction with high sensitivity and throughput.

Keywords: AlphaLISA technology, cell-free protein expression, epitope mapping, Leishmania tarentolae, protein-protein interaction

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Authors: Spoorthi Sripad

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Remote sensing is a powerful tool for acquiring information about the Earth's surface without direct contact, relying on the interaction of electromagnetic radiation with various materials and features. This paper explores the fundamental principle of "Interaction with Earth's Surface" in remote sensing, shedding light on the intricate processes that occur when electromagnetic waves encounter different surfaces. The absorption, reflection, and transmission of radiation generate distinct spectral signatures, allowing for the identification and classification of surface materials. The paper delves into the significance of the visible, infrared, and thermal infrared regions of the electromagnetic spectrum, highlighting how their unique interactions contribute to a wealth of applications, from land cover classification to environmental monitoring. The discussion encompasses the types of sensors and platforms used to capture these interactions, including multispectral and hyperspectral imaging systems. By examining real-world applications, such as land cover classification and environmental monitoring, the paper underscores the critical role of understanding the interaction with the Earth's surface for accurate and meaningful interpretation of remote sensing data.

Keywords: remote sensing, earth's surface interaction, electromagnetic radiation, spectral signatures, land cover classification, archeology and cultural heritage preservation

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Authors: Mahdi Sadeghian, Mahmoud Hassanlourad, Alireza Ardakani, Reza Dinarvand

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In this research, the behavior of monopiles, under lateral loads, was investigated with vertical and oblique piles by Finite Element Method. In engineering practice when soil-pile interaction comes to the picture some simplifications are applied to reduce the design time. As a simplified replacement of soil and pile interaction analysis, pile could be replaced by a column. The height of the column would be equal to the free length of the pile plus a portion of the embedded length of it. One of the important factors studied in this study was that columns with an equivalent length (free length plus a part of buried depth) could be used instead of soil and pile modeling. The results of the analysis show that the more internal friction angle of the soil increases, the more the bearing capacity of the soil is achieved. This additional length is 6 to 11 times of the pile diameter in dense soil although in loose sandy soil this range might increase.

Keywords: Depth of fixity, Lateral bearing capacity, Oblique pile, Pile group, Soil-structure interaction

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Authors: Mohammed Auwal Ibrahim, Aminu Mohammed

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Stigmasterol has previously been reported to possess antitrypanosomal activity using in vitro and in vivo models. However, the mechanism of antitrypanosomal activity is yet to be elucidated. In the present study, molecular docking was used to decipher the mode of interaction and binding affinity of stigmasterol to three known antitrypanosomal drug targets viz; adenosine kinase, ornithine decarboxylase and triose phosphate isomerase. Stigmasterol was found to bind to the selected trypanosomal enzymes with minimum binding energy of -4.2, -6.5 and -6.6 kcal/mol for adenosine kinase, ornithine decarboxylase, and triose phosphate isomerase respectively. However, hydrogen bond was not involved in the interaction of stigmasterol with all the three enzymes, but hydrophobic interaction seemed to play a vital role in the binding phenomenon which was predicted to be non-competitive like type of inhibition. It was concluded that binding to the three selected enzymes, especially triose phosphate isomerase, might be involved in the antitrypanosomal activity of stigmasterol but not mediated via a hydrogen bond interaction.

Keywords: antitrypanosomal, in silico, molecular docking, stigmasterol

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Authors: Mohammad Hashemi, John Herbert

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Quantifying and measuring Quality of Experience (QoE) are important and difficult concerns in Human Computer Interaction (HCI). Quality of Service (QoS) and the actual User Interface (UI) of the application are both important contributors to the QoE of a user. This paper describes a framework that measures accurately the way a user uses the UI in order to model users' behaviours and profiles. It monitors the use of the mouse and use of UI elements with accurate time measurement. It does this in real-time and does so unobtrusively and efficiently allowing the user to work as normal with the application. This real-time accurate measurement of the user's interaction provides valuable data and insight into the use of the UI, and is also the basis for analysis of the user's QoE.

Keywords: user modelling, user interface experience, quality of experience, user experience, human and computer interaction

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Authors: Alper Tolga Kumtepe, Erdem Erdogdu, M. Recep Okur, Eda Kaypak, Ozlem Kaya, Serap Ugur, Deniz Dincer, Hakan Yildirim

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Interaction is one of the most important components of open and distance learning. According to Moore, who proposed one of the keystones on interaction types, there are three basic types of interaction: learner-teacher, learner-content, and learner-learner. From these interaction types, learner-content interaction, without doubt, can be identified as the most fundamental one on which all education is based. Efficacy, efficiency, and attraction of open and distance learning systems can be achieved by the practice of effective learner-content interaction. With the development of new technologies, interactive e-learning materials have been commonly used as a resource in open and distance learning, along with the printed books. The intellectual engagement of the learners with the content that is course materials may also affect their satisfaction for the open and distance learning practices in general. Learner satisfaction holds an important place in open and distance learning since it will eventually contribute to the achievement of learning outcomes. Using the learner-content interaction activities in course materials, Anadolu University, by its Open Education system, tries to involve learners in deep and meaningful learning practices. Especially, during the e-learning material design and production processes, identifying appropriate learner-content interaction activities within the context of learning outcomes holds a big importance. Considering the lack of studies adopting this approach, as well as its being a study on the use of e-learning materials in Open Education system, this research holds a big value in open and distance learning literature. In this respect, the present study aimed to investigate a) which learner-content interaction activities included in interactive courses are the most effective in learners’ achievement of verbal information learning outcomes and b) to what extent distance learners are satisfied with these learner-content interaction activities. For this study, the quasi-experimental research design was adopted. The 120 participants of the study were from Anadolu University Open Education Faculty students living in Eskişehir. The students were divided into 6 groups randomly. While 5 of these groups received different learner-content interaction activities as a part of the experiment, the other group served as the control group. The data were collected mainly through two instruments: pre-test and post-test. In addition to those tests, learners’ perceived learning was assessed with an item at the end of the program. The data collected from pre-test and post-test were analyzed by ANOVA, and in the light of the findings of this approximately 24-month study, suggestions for the further design of e-learning materials within the context of learner-content interaction activities will be provided at the conference. The current study is planned to be an antecedent for the following studies that will examine the effects of activities on other learning domains.

Keywords: interaction, distance education, interactivity, online courses

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Authors: Pradip Kumar Jha, Manoj Kumar

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We demonstrate in this work the effect of Rashba spin orbit interaction on multiphoton optical transitions of a quantum dot in the presence of THz laser field and external static magnetic field. This combination is solved by accurate non-perturbative Floquet theory. Investigations are made for the optical response of intraband transition between the various states of the conduction band with spin flipping. Enhancement and power broadening observed for excited states probabilities with increase of external fields are directly linked to the emission spectra of QD and will be useful for making future bioimaging devices.

Keywords: bioimaging, multiphoton processes, spin orbit interaction, quantum dot

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Authors: Murat Avci, Fatih Kosar, Ismail Yilmaz

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In this study, structure-flow interaction for water brake mechanism is studied with Abaqus CEL approach. The water brake mechanism is used for dynamic systems such as sled system on rail. For the achievement of these system tests, structure-flow interaction should be investigated in detail. This study is about a sled test of an aircraft subsystem which rises to supersonic speeds thanks to rocket engines. To decrease or to stop the thrusting rocket sleds, water brake mechanisms are used. Water brake mechanism provides the deceleration of the structures that have supersonic speeds. Therefore, structure-flow interaction may cause damage to the water brake mechanism. To verify all design revisions with system tests are so costly so that some decisions are taken in accordance with numerical methods. In this study, structure-flow interaction that belongs to water brake mechanism is solved with Abaqus CEL approach. Fluid and deformation on the structure behaviors are modeled at the same time thanks to CEL approach. Provided analysis results are corrected with the dynamic tests. Deformation zones seen in numerical analysis are also observed in dynamic tests. Finally, Johnson-Cook material model parameters used for this analysis are proven, and it is understood that these parameters can be used for dynamic analysis like water brake mechanism.

Keywords: aircraft, rocket, structure-flow, supersonic

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Authors: Enrique Bazan-Zurita, Sittipong Jarernprasert, Jacobo Bielak

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We study the effects of soil-structure interaction (SSI) on the inelastic seismic response of a single-degree-of-freedom system whose hysteretic behaviour exhibits stiffness and/or strength degrading characteristics. Two sets of accelerograms are used as seismic input: the first comprising 87 record from stiff to medium stiff sites in California, and the second comprising 66 records from the soft lakebed of Mexico City. This study focuses in three seismic response parameters: ductility demand, inter-story drift, and total lateral displacement. The results allow quantitative estimates of changes in such parameters in an SSI system in comparison with those corresponding to the associated fixed-base system. We found that degrading features affect significantly both the response of fixed-base structures and the impact of soil-structure interaction. We propose a procedure to incorporate the results of this and similar studies in seismic design regulations for SSI system with anticipated nonlinear degrading behaviour.

Keywords: inelastic, seismic, building, foundation, interaction

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Authors: ShiQing Gao, XingYi Zhang, YouHe Zhou

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When a floating tilted cylinder pierces a fluid interface, the fulfilment of constant-contact-angle condition along the cylinder results in shift, stretch and distortion of the contact line, thus leading to a capillary interaction. We perform an investigation of the scaling dependence of tilt angle, contact angle, and cylinder radius on the contact line profile and the corresponding capillary interaction by numerical simulation and experiment. Characterized by three characteristic parameters respectively, the dependences for each deformation mode are systematically analyzed. Both the experiment and simulation reveals an invariant structure that is independent of contact angle and radius to characterize the stretch of the contact line for every tilted case. Based on this observation, we then propose a general capillary force scaling law to incredibly grasp all the simulated results, by simply approximating the contact line profile as tilted ellipse.

Keywords: gas-liquid/liquid-fluid interface, colloidal particle, contact line shape, capillary interaction, surface evolver (SE)

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Authors: Abd Elrahman Elgamala, N. Darwish, I. Bondouk, Sh. Hamada

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Available experimental angular distributions for ⁶Li elastically scattered from ¹⁶O nucleus in the energy range 13.0–50.0 MeV are investigated and reanalyzed using optical model of the conventional phenomenological potential and also using double folding optical model of different interaction models: DDM3Y1, CDM3Y1, CDM3Y2, and CDM3Y3. All the involved models of interaction are of M3Y Paris except DDM3Y1 which is of M3Y Reid and the main difference between them lies in the different values for the parameters of the incorporated density distribution function F(ρ). We have extracted the renormalization factor N_R for ⁶Li+¹⁶O nuclear system in the energy range 13.0–50.0 MeV using the aforementioned interaction models.

Keywords: elastic scattering, optical model, folding potential, density distribution

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Authors: Mengying Wang, Dongjing Liu, Holger Schwender, Ping Wang, Hongping Zhu, Tao Wu, Terri H Beaty

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Background: Maternal smoking is a recognized risk factor for nonsyndromic cleft lip with or without cleft palate (NSCL/P). It has been reported that the effect of maternal smoking on oral clefts is mediated through genes that influence nicotine dependence. The polymorphisms of cholinergic receptor nicotinic alpha (CHRNA) and beta (CHRNB) subunits genes have previously shown strong associations with nicotine dependence. Here, we attempted to investigate whether the above genes are associated with clefting risk through testing for potential gene-gene (G×G) and gene-environment (G×E) interaction. Methods: We selected 120 markers in 14 genes associated with nicotine dependence to conduct transmission disequilibrium tests among 806 Chinese NSCL/P case-parent trios ascertained in an international consortium which conducted a genome-wide association study (GWAS) of oral clefts. We applied Cordell’s method using “TRIO” package in R to explore G×G as well as G×E interaction involving environmental tobacco smoke (ETS) based on conditional logistic regression model. Results: while no SNP showed significant association with NSCL/P after Bonferroni correction, we found signals for G×G interaction between 10 pairs of SNPs in CHRNA3, CHRNA5, and CHRNB4 (p<10-8), among which the most significant interaction was found between RS3743077 (CHRNA3) and RS11636753 (CHRNB4, p<8.2×10-12). Linkage disequilibrium (LD) analysis revealed only low level of LD between these markers. However, there were no significant results for G×ETS interaction. Conclusion: This study fails to detect association between nicotine dependence genes and NSCL/P, but illustrates the importance of taking into account potential G×G interaction for genetic association analysis in NSCL/P. This study also suggests nicotine dependence genes should be considered as important candidate genes for NSCL/P in future studies.

Keywords: Gene-Gene Interaction, Maternal Smoking, Nicotine Dependence, Non-Syndromic Cleft Lip with or without Cleft Palate

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Authors: Ruth Manzanares, Victor Honores, Hugo Zapata, Javier Cansaya, Deivid Yavar, Junior Meza

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LogiSum is a robot focused on education like a solution to the ecological crisis. This robot allows reducing the pollution on the beaches by stimulating environmental awareness of not contaminating through the collection of waste. Through the use of the methodology of design thinking, it is intended to reinforce values in adults and with a greater focus on children, so as not to contaminate the beaches. The goal is to encourage the use of the container of the robot LogiSum to put the garbage, with visual interaction and simulation of dialogue with the function of the robot. The results obtained of the testings of the interaction of children with the robot showed an encouraging behavior. With the robot, children left the waste in the right places and not bury it in the sand or in the floor.

Keywords: interaction human-robot, pollution reduction, social robot, robot container, beach pollution

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Authors: Sh. Hamada

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The current work aims to study the rainbow like-structure observed in the elastic scattering of alpha particles on both ¹²C and ¹⁶O nuclei. We reanalyzed the experimental elastic scattering angular distributions data for α+¹²C and α+¹⁶O nuclear systems at different energies using both optical model and double folding potential of different interaction models such as: CDM3Y1, DDM3Y1, CDM3Y6 and BDM3Y1. Potential created by BDM3Y1 interaction model has the shallowest depth which reflects the necessity to use higher renormalization factor (N_r). Both optical model and double folding potential of different interaction models fairly reproduce the experimental data.

Keywords: density distribution, double folding, elastic scattering, nuclear rainbow, optical model

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Authors: Melissa C. LaDuke

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The purpose of this literature review was to identify the use of online communities of practice (CoPs) within e-learning environments as a method to build social interaction and student-centered educational experiences. A literature review was conducted to survey and collect scholarly thoughts concerning CoPs from a variety of sources. Data collected included best practices, ties to educational theories, and examples of online CoPs. Social interaction has been identified as a critical piece of the learning infrastructure, specifically for adult learners. CoPs are an effective way to help students connect to each other and the material of interest. The use of CoPs falls in line with many educational theories, including situated learning theory, social constructivism, connectivism, adult learning theory, and motivation. New literacies such as social media and gamification can help increase social interaction in online environments and provide methods to host CoPs. Steps to build and sustain a CoP were discussed in addition to CoP considerations and best practices.

Keywords: community of practice, knowledge sharing, social interaction, online course design, new literacies

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Authors: Alok Shiomurti Tripathi, Ajay Kumar Timiri, Papiya Mitra Mazumder, Anil Chandewar

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The present study evaluates the possible drug interaction between glimepiride (GLIM) and sildenafil citrate (SIL) in streptozotocin (STZ) induced in diabetic nephropathic (DN) animals and also postulates the possible mechanism of interaction by molecular modeling studies. Diabetic nephropathy was induced by single dose of STZ (60 mg/kg, ip) and confirms it by assessing the blood and urine biochemical parameters on 28th day of its induction. Selected DN animals were used for the drug interaction between GLIM (0.5mg/kg, p.o.) and SIL (2.5 mg/kg, p.o.) after 29th and 70th day of protocol. Drug interaction were assessed by evaluating the plasma drug concentration using HPLC-UV and also determine the change in the biochemical parameter in blood and urine. Mechanism of the interaction was postulated by molecular modeling study using Maestro module of Schrodinger software. DN was confirmed as there was significant alteration in the blood and urine biochemical parameter in STZ treated groups. The concentration of SIL increased significantly (p<0.001) in rat plasma when co administered with GLIM after 70th day of protocol. Molecular modelling study revealed few important interactions with rat serum albumin and CYP2C9.GLIM has strong hydrophobic interaction with binding site residues of rat serum albumin compared to SIL. Whereas, for CYP2C9, GLIM has strong hydrogen bond with polar contacts and hydrophobic interactions than SIL. Present study concludes that bioavailability of SIL increases when co-administered chronically with GLIM in the management of DN animals and mechanism has been supported by molecular modeling studies.

Keywords: diabetic nephropathy, glimepiride, sildenafil citrate, pharmacokinetics, homology modeling, schrodinger

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Authors: Abdelhacine Gouasmia, Abdelhamid Belkhiri, Allaeddine Athmani

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The objective of this paper is to evaluate the effects of soil-structure interaction (SSI) on the modal characteristics and on the dynamic response of current structures. The objective is on the overall behaviour of a real structure of five storeys reinforced concrete (R/C) building typically encountered in Algeria. Sensitivity studies are undertaken in order to study the effects of frequency content of the input motion, frequency of the soil-structure system, rigidity and depth of the soil layer on the dynamic response of such structures. This investigation indicated that the rigidity of the soil layer is the predominant factor in soil-structure interaction and its increases would definitely reduce the deformation in the R/C structure. On the other hand, increasing the period of the underlying soil will cause an increase in the lateral displacements at story levels and create irregularity in the distribution of story shears. Possible resonance between the frequency content of the input motion and soil could also play an important role in increasing the structural response.

Keywords: direct method, finite element method, foundation, R/C Frame, soil-structure interaction

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Authors: Luciano Garelli, Marco Schauer, Jorge D’Elia, Mario A. Storti, Sabine C. Langer

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This paper discuss a coupling strategy of two different software packages to provide fluid structure interaction (FSI) analysis. The basic idea is to combine the advantages of the two codes to create a powerful FSI solver for two and three dimensional analysis. The fluid part is computed by a program called PETSc-FEM, a software developed at Centro de Investigación de Métodos Computacionales (CIMEC). The structural part of the coupled process is computed by the research code elementary Parallel Solver (elPaSo) of the Technische Universität Braunschweig, Institut für Konstruktionstechnik (IK).

Keywords: computational fluid dynamics (CFD), fluid structure interaction (FSI), finite element method (FEM), software

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Authors: Shuofeng Yuan, Bojian Zheng

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Assembly of the heterotrimeric polymerase complex of influenza virus from the individual subunits PB1, PA, and PB2 is a prerequisite for viral replication, in which the interaction between the N-terminal of PB1 (PB1N) and the C terminal of PA (PAC) may be a desired target for antiviral development. In this study, we first compared the feasibility of high throughput screening by enzyme-linked immunosorbent assay (ELISA) and fluorescence polarization (FP) assay. Among the two, ELISA was demonstrated to own broader dynamic range so that it was used for screening inhibitors, which blocked PA and PB1 interaction. Several binding inhibitors of PAC-PB1N were identified and subsequently tested for the antiviral efficacy. Apparently, 3-(2-chlorophenyl)-6-ethyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol, designated ANA-1, was found to be a strong inhibitor of PAC-PB1N interaction and act as a potent antiviral agent against the infections of multiple subtypes of influenza A virus, including H1N1, H3N2, H5N1, H7N7, H7N9 and H9N2 subtypes, in cell cultures. Intranasal administration of ANA-1 protected mice from lethal challenge and reduced lung viral loads in H1N1 virus infected BALB/c mice. Docking analyses predicted that ANA-1 bound to an allosteric site of PAC, which would cause conformational changes thereby disrupting the PAC-PB1N interaction. Overall, our study has identified a novel compound with potential to be developed as an anti-influenza drug.

Keywords: influenza, antiviral, viral polymerase, compounds

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Authors: R. Dubey, M. Sarwan, S. Singh

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We have investigated the phase transition pressure and associated volume collapse in Sm1– X EuX S alloy (0≤x≤1) which shows transition from discontinuous to continuous as x is reduced. The calculated results from present approach are in good agreement with experimental data available for the end point members (x=0 and x=1). The results for the alloy counter parts are also in fair agreement with experimental data generated from the vegard’s law. An improved interaction potential model has been developed which includes coulomb, three body interaction, polarizability effect and overlap repulsive interaction operative up to second neighbor ions. It is found that the inclusion of polarizability effect has improved our results.

Keywords: elastic constants, high pressure, phase transition, rare earth compound

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Authors: Cumhur Cansever, Selcuk Er

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There is an increasing cooperation and interaction between the military logistic systems and civil organizations operating in today's market. While the scope and functions of civilian logistics have different characteristics, military logistics tries to import some applications that are conducted by private sectors successfully. Also, at this point, the determination of the optimal point of integration and interaction between civilian and military logistics has emerged as a key issue. In this study, the mutual effects between military and civilian logistics and their most common integration areas, (Supply Chain Management (SCM), Integrated Logistics Support (ILS) and Outsourcing) will be examined with risk analysis and determination of basic skills evaluation methods for determining the optimum point in the integration.

Keywords: core competency, integrated logistics support, outsourcing, supply chain management

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Authors: Bruna G. M. Araújo, Pedro M. M. Q. Cruz

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In this letter, we review the literature of the major concepts that govern Gaussian quantum information. As we work with quantum information and computation with continuous variables, Gaussian states are needed to better describe these systems. Analyzing a single ion locked in a Paul trap we use the interaction picture to obtain a toolbox of Gaussian operations with the ion-laser interaction Hamiltionian. This is achieved exciting the ion through the combination of two lasers of distinct frequencies corresponding to different sidebands of the external degrees of freedom. First we study the case of a trap with 1 mode and then the case with 2 modes. In this way, we achieve different continuous variables gates just by changing the external degrees of freedom of the trap and combining the Hamiltonians of blue and red sidebands.

Keywords: Paul trap, ion-laser interaction, Gaussian operations

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Authors: Marcella De Filippo, Delio Colangelo, Luca Farnia

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In recent decades, the hyper-competition of tourism scenario has implicated the maturity of many businesses, attributing a central role to innovative processes and their dissemination in the economy of company management. At the same time, it has defined the need for monitoring the application of innovations, in order to govern and improve the performance of companies and destinations. The study aims to analyze and define the innovation in the tourism sector. The research actions have concerned, on the one hand, some in-depth interviews with experts, identifying innovation in terms of process and product, digitalization, sustainability policies and, on the other hand, to evaluate the interaction between these factors, in terms of substitutability and complementarity in management scenarios, in order to identify which one is essential to be competitive in the global scenario. Fuzzy measures and Choquet integral were used to elicit Experts’ preferences. This method allows not only to evaluate the relative importance of each pillar, but also and more interestingly, the level of interaction, ranging from complementarity to substitutability, between pairs of factors. The results of the survey are the following: in terms of Shapley values, Experts assert that Innovation is the most important factor (32.32), followed by digitalization (31.86), Network (20.57) and Sustainability (15.25). In terms of Interaction indices, given the low degree of consensus among experts, the interaction between couples of criteria on average could be ignored; however, it is worth to note that the factors innovations and digitalization are those in which experts express the highest degree of interaction. However for some of them, these factors have a moderate level of complementarity (with a pick of 57.14), and others consider them moderately substitutes (with a pick of -39.58). Another example, although outlier is the interaction between network and digitalization, in which an expert consider them markedly substitutes (-77.08).

Keywords: innovation, business model, tourism, fuzzy

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Authors: Rukshana Pervin

Abstract:

We report a detailed study on the transport properties of a 40 nm thick granular aluminum film. As measured by temperature-dependent resistance R(T), a resistance peak is observed before the transition to superconductivity, which indicates that the diffusion channel is subjected to weak localization and electron-electron interaction, and the superconductor channel is subjected to SC fluctuations (SCFs). The zero-magnetic field transport measurement demonstrated that Electron-Electron Interaction (EEI), weak localization, and SCFs are closely related in this granular aluminum film. The characteristic temperature at which SCFs emerge on the sample is determined by measuring the R(T) during cooling. The SCF of the film is studied in terms of the direct contribution of the Aslamazov-Larkin's fluctuation Cooper pair density and the indirect contribution of the Maki-Thomson's quasiparticle pair density. In this sample, the rise in R(T) above the SCF characteristic temperature indicates the WL and/or EEI. Comparative analyses are conducted on how the EEI and WL contribute to the upturn in R(T).

Keywords: fluctuation superconductivity, weak localization, thermal deposition, electron-electron interaction

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