This study analyzes the academic performance of students from an official school in Bogotá (Colombia) who had asymmetric access to Information and Communication Technologies during the first year of the Covid-19 pandemic. The Classical Linear Regression Model is employed using data from a survey of a representative group of students in the year 2020. Results show technological gaps between students that are associated with asymmetric academic performance against students with limited or null access to the Internet and electronic devices. Results also show that, among students with permanent access to the Internet, women have better scores compared to men’s scores, which implies that women can achieve better academic results than men in virtual education. It is also noted that the sole access to an electronic device does not guarantee good academic achievements if there is no full access to the Internet, and if ICT-use skills have not been developed.

Abstract: This research aims at developing a virtual reality destination experience (VRDE) model as a moderating variable between sustainable tourist behavior (STB) and tourist visit intention (TVI). The portability variable strengthens VRDE, and the content quality variable supports VRDE. The research method used was purposive convenience sampling covering 204 respondents who visited the vicinity of Kebon batik village in Klaten, Central Java, Indonesia. The research findings were H1: STB has a significant effect on VRDE, H2: VDRE has an impact on TRVI, H3: portability has a significant effect on VRDE, and H4: content quality did not have an impact on VRDE. The novelty of this research is the VRDE application applied to Community Sustainable Tourist Behavior in developing countries.

Visually impaired people encounter many impediments and challenges in their lives such as related to their mobility, education, communication, use of technology, and others. This paper reports the results of an online survey to understand the requirements and challenges blind and visually impaired people face in their daily lives regarding the availability and use of digital devices. The survey was conducted among the blind and visually impaired in Saudi Arabia using digital forms. A total of 164 people responded to the survey most of them using the VoiceOver function. People were asked about the use of smart devices, special devices, operating systems, object recognition apps, indoor and outdoor navigation apps, virtual digital assistive apps, the purpose (navigation, education, etc.) of and difficulty in using these apps, the type of assistance needed, the reliance on others in using the assistive technologies, and the level of satisfaction from the existing assistive technologies. The majority of the participants were 18 – 65 years old with 13% under 18 and 3% above 65. Sixty-five percent of the participants were graduates or postgraduates and the rest only had secondary education. White Cane, mobile phones, Apple iOS, Envision, Seeing AI, VoiceOver, and Google Maps were the most used devices, technologies, and apps used by the participants. Navigation at 39.6% was the most reported purpose of the special devices followed by education (34.1%) and office jobs (12.8%). The information from this survey along with a detailed literature review of academic and commercial technologies for the visually impaired was used to establish the research gap, design requirements, and a comprehensive understanding of the relevant landscape, which in turn was used to design smart glasses called LidSonic for visually impaired.

Plasmodium species that cause malaria, a disease responsible for about half a million deaths per annum despite concerted efforts to combat it. The causative agent depends on type III beta phosphatidylinositol 4-kinase (PPI4K) during the development of merozoite. PPI4K is the only clinically validated Plasmodium kinase so far and its inhibitors are effective both in vitro and in vivo. In this work, a small library of ~22 000 fragments was virtually screened using PPI4K homology model to discover potential ligands of the enzyme. 16 virtual hits were selected based on ≤ -9.0 kcal/mol binding energy cut off and were subjected to similarity and substructure searching after they had passed PAINS screening. The derivatives obtained showed improved binding energies, which ranged from -10.00 to -13.80 kcal/mol. Moreover, the topmost ranking compound 31, with interesting drug-like quality was stable within the protein’s binding cavity during the 10 ns molecular dynamics simulation period. In addition, analysis of its binding pose revealed some unique binding interactions with PPI4K active site residues as the basis for the observed improved binding affinity. Overall, compound 31 appears to be a viable starting point for the development of PPI4K inhibitors with antimalarial activity.

Aphasia is one of the most socially disabling post-stroke deficits. Although traditional therapies have been shown to induce adequate clinical improvement, aphasic symptoms often persist. Therefore, new rehabilitation techniques which act as a substitute or as an adjunct to traditional approaches are urgently needed. The present review provides an overview of the efficacy and safety of the most innovative approaches which have been proposed over the last twenty years. First, we examined the effectiveness of the pharmacological approach, principally used as an adjunct to language therapy, reporting the mechanism of action of each single drug for the recovery of aphasia. Results are conflicting but promising. Secondly, we discussed the application of Virtual Reality (VR) which has been proved to be useful since it potentiates the ecological validity of the language therapy by using virtual contexts which simulate real-life everyday contexts. Finally, we focused on the use of Transcranial Direct Current Stimulation (tDCS), both discussing its applications at the cortical level and highlighting a new perspective, which considers the possibility to extend the use of tDCS over the motor regions. Although the review revels an extraordinary variability among the different studies, substantial agreement has been reached on some general principles, such as the necessity to consider tDCS only as an adjunct to traditional language therapy.

This work presents the results of a computational study of the chemical reactivity and bioactivity properties of the members of the Theopapuamides A-D family of marine peptides by making use of our own proposed methodology named Computational Peptidology (CP) that has been successfully considered in previous studies of this kind of molecular systems. CP allowed for the determination of the global and local descriptors that come from Conceptual Density Functional Theory (CDFT) that can give an idea of the chemical reactivity properties of the marine natural products under study which are already known to be related to their bioactivity. At the same time, the validity of the procedure based on the adoption of the KID (Koopmans in DFT) technique as well as the MN12SX/Def2TZVP/H2O model chemistry has been successfully verified. Together with several Chemoinformatic tools that can be used for the improvement of process of Virtual Screening, some additional properties of these marine peptides were identified related to their ability to behave as useful drugs. With the further object of analyzing their bioactivity some parameters of usefulness for future QSAR studies, their predicted biological targets and the the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) parameters related to the Theopapuamides A-D pharmacokinetics are also reported.

During recent decades, contextual computing applications have emerged in the field of healthcare and particularly in the field of telemonitoring of patients suffering from chronic obstructive pulmonary disease (COPD). According to WHO rankings, chronic obstructive pulmonary disease (COPD) is the third leading cause of death worldwide. Various research works are therefore carried out to improve the health of patients and the monitoring of patients in the comfort of their home environment. To this end, several telemonitoring systems are designed to COPD patients. These systems are connected to health center. Emergency physicians follow the patients subscribed to these systems remotely. These systems focus mainly on prediction, decision-making and the requirements of the healthcare profession, and do not address the quality control aspects of services or QoS based on service level agreements (SLAs). This situation can be dangerous for patients in case of extreme exacerbation of COPD patients. For example, the unavailability of the monitoring system can lead to the death of the patient because the emergency physician could not have access to the patient's data in real time in the context of COPD Patient Monitoring. In addition, Remote medical monitoring platforms are manipulating large volumes of data and the risks of data lost or data quality are real. It is therefore important to have the mechanisms to continuously improve the quality of service of these monitoring platforms in general and COPD patients particularly. In this article, we propose an ontology that uses SLA information from COPD monitoring platforms with dynamic data from the patient context. The purpose of this article is to propose a dynamic mechanism model for evaluating SLA violations. This solution allows retrieving knowledge from the main items of the SLA document based on XML and the COPD patient context data dynamically from a COPD SLA ontology. These data retrieved in real time allow the calculation of SLO-based metrics and display a SLA template available on the supplier and consumer interfaces. The information of the SLA violation control Interface changes dynamically depending the context-aware system and SLA document data. The SLA parties can dynamically control their Key Performance Indicators (KPI) Target.

Background: 3D virtual reality (VR) Motionless Imagery Exercise through Avatar (MIEA) was developed to improve elderly’s psychological (cognitive and emotional) and physical health. This study observed the impact of this program on the cognitive functions and emotional well-being and the electrophysiological changes in older adults. Methods: This study was conducted using a randomized controlled trial design. The participants included 38 adults, 65 to 84 years of age, who were physically mobile and neurologically healthy. Among them, 19 participants were assigned to the experimental group, who underwent exercises using elderly avatars in a VR virtual exercise program. The other 19 participants were assigned to the control group who underwent the VR program. Both groups engaged in the VR intervention for 20 minutes three times a week, over six weeks. Results: The cognitive functions, including attention restraint, working memory, and phonemic fluency, of the experimental group showed significant improvements compared to the control group. Regarding emotional well-being, the experimental group showed greater self-efficacy. The electrophysiological changes revealed similar patterns to exercise-induced reactions in electromyography of the experimental group after intervention. Conclusions: These findings confirm that participation in 3D VR MIEA enhances cognitive functions and physical self-efficacy among the elderly. Therefore, 3D VR MIEA can be utilized in the rehabilitation therapy of patients or elderly with limited physical activity.

Because the including of human anatomy forms the foundation for clinical medicine, it has contributed a pivotal role in medical education for many centuries. Thus with advancements in the science of modern, current day medicine, its continued place in the medical school curriculum deserves careful attention. In an attempt to provide guidance to decision-makers involved in clinical anatomy curriculum development at the medical school level, the Educational Affairs Committee of the American Association of Clinical Anatomists (AACA) developed this document, which defines the contours of a gross anatomy curriculum leading to the M.D. or D.O. degree. The main body of the document sets forth the anatomical concepts as well as the subject matter a student should master prior to graduation from medical school. Gross anatomy dissection is still a crucial topic in graduate and medical school. The nature and content of gross anatomy, which was historically regarded as a core course in the first year of medical education in MBBS, MD, DO, and some PhD and Graduate curricula as well as in other disciplines of selective graduate education and non-allopathic medical programs, have been significantly impacted by emerging challenges in the pedagogy of delivering medical education in the past ten years. A seemingly ever-increasing emphasis on additional modules in molecular biology, emerging pharmacotherapeutics and pathophysiology content have resulted in a condensation and apparent erosion of previously allotted classroom and laboratory hours in the gross anatomy curriculum. In addition, an imposition of financial constraints and a decreasing availability of sufficient cadaver donations to support gross anatomy dissection labs has also occurred in some locations. An innovative clinically focused cadaveric anatomy program is described which has improved the delivery and content retention of medical and graduate students and has become one of the most sought-after modules in the revised clinically oriented curriculum and has been deemed highly relevant to current medical education and graduate studies.

This cross-sectional study investigates the impact of Virtual Private Networks (VPNs) on Nigerians during the 2021 Twitter ban, prompted by the Nigerian government's suspension of Twitter operations following the deletion of a tweet by the President. The study aims to analyze the frequency and awareness of VPN and Twitter usage among Nigerians during the ban, addressing specific objectives. Employing a survey research method, data was collected from 400 respondents through online and offline questionnaires. Descriptive statistical tools were used for data analysis, revealing significant findings. Results indicate a substantial decrease in Twitter usage during the ban, with IPVanish emerging as the preferred VPN brand. The study also highlights an increase in VPN awareness post-ban, emphasizing the need for educational initiatives. The demographic analysis reveals a dominant age group of 21 to 25 among social media users. Overall, the research underscores the complex interplay between social media dynamics, VPN adoption, and demographic factors, emphasizing the importance of nuanced regulatory approaches and ongoing user education in Nigeria's online landscape.

In this research, the concept of the instability of tension in Microgrid still becomes the focus of study and purpose. Scrutinously, First-Swing Instability occurs in the system in noted changes with properties of making the system unstable or restore to a state of stability. The latter calls itself as a phenomenon of re-synchronization. Allied to aspects of system instability, it is evident that by connecting fast electric chargers for battery-electric vehicles to the distribution system from microgrids, they increase the necessary basic electrical charges and reduce the stability of the electrical energy system. Transient electrical currents have the characteristic of severely impacting microgrids not prepared in connected states or island of the main system. The occurrences of the electromagnetic incompatibility of the inrush current, due to their unpredictability and intermittent characteristic, have complex identification studies. With the elevation of electricity demand by battery-electric vehicle chargers, concerns about the effects of the integration of the electricity grid increase proportionally. The research described in this article emphasizes the influence of fast chargers’ initialization on the power variation related to the re-synchronization phenomenon and its mitigation of the stability of electricity microgrid. An optimization algorithm based on particle swarm optimization (PSO) implements the development of virtual impedances. The PSO optimization algorithm analyzes all possible operating points and aims to maximize the stability index of microgrid, maintaining reactive energy incompatibilities at the minimum level supported. The fractional objective function facilitates the service to these goals simultaneously. The optimization algorithm is implemented in a case study and the corresponding virtual impedance is incorporated into the microgrid. Voltage levels are verified as a condition in the optimization process, comparing system effectiveness.

The novel coronavirus disease (COVID-19) pandemic has resulted in over 720 million confirmed cases and 7 million deaths worldwide, with insufficient treatment options. Innumerable efforts are being made around the world for faster identification of therapeutic agents to treat the deadly disease. Postacute sequelae of SARS-CoV-2 infection or COVID-19 (PASC), also called Long COVID, is still being understood and lacks treatment options as well. A growing list of drugs are being suggested by various in silico, in vitro and ex vivo models, however currently only two treatment options are widely used: the RNA-dependent RNA polymerase (RdRp) inhibitor remdesivir, and the main protease inhibitor nirmatrelvir in combination with ritonavir. Computational drug development tools and in silico studies involving molecular docking, molecular dynamics, entropy calculations and pharmacokinetics can be useful to identify new targets to treat COVID-19 and PASC, as shown in this work and our recent paper that identified alendronate as a promising candidate. We have now investigated all bisphosphonates which can bind competitively to nidovirus RdRp-associated nucleotidyl (NiRAN) transferase domain, and systematically down selected seven candidates (CHEMBL608526, CHEMBL196676, CHEMBL164344, CHEMBL4291724, CHEMBL4569308, CHEMBL387132, CHEMBL98211), two of which closely resemble the approved drugs minodronate and zoledronate. This work and our recent paper together provide an in silico mechanistic explanation for alendronate and zoledronate users having dramatically reduced odds of SARS-CoV-2 testing, COVID-19 diagnosis, and COVID-19-related hospitalizations, and indicate that similar observational studies with minodronate could be valuable.

A sustainable smart tourism ecosystem relies on building digital networks that link tourists to destinations. This study explores how web and immersive technologies, such as the VRRO platform, can improve tourism by offering interactive experiences to augment traditional travel. The study underscores the role of VRRO's design in enhancing user interaction and engagement, thereby encouraging the generation of user content and the development of a virtual tour network. An empirical analysis investigates user engagement, revealing that the platform is accessible to users regardless of their technological familiarity. It suggests a high likelihood of sustained use and recommendations. In conclusion, VRRO demonstrates how accessible and innovative technologies in tourism modernize travel experiences and significantly contribute to the evolution of the broader tourism ecosystem.

Virtual reality software might be challenging to utilize for beginners and unskilled professionals who do not have a programming or 3D modeling background. Concurrently, there is a knowledge gap in software project design for intuitive virtual reality authoring tools, which were supposed to be easier to use. These tools are frequently insufficient due to a lack of support and standard operating procedures. Adopting the Design Science Research paradigm, this study aims to evaluate the validity of fourteen design guidelines for the development of intuitive virtual reality authoring tools as an artifact. While a previous study completed the first steps of the Design Science Research, by identifying problems, defining solution objectives, and developing and demonstrating the design guidelines, this work seeks to qualitatively evaluate their application in a practical experiment. A group of engineering students with no prior experience in creating virtual worlds were tasked with examining the design guidelines while using the NVIDIA Omniverse Enterprise as an exemplary use case and responding to a questionnaire and a focus group interview about how they perceived these guidelines. A correlation analysis confirmed that most guidelines scores behaved as expected and were ranked according to the use-case functionality. The participants understood the guidelines' definition and could decide if they agreed or disagreed with their presence during the experiment. We conclude that, in accordance with the Design Science Research, the proposed artifact is useful, i.e., the design guidelines for virtual reality authoring tools perform what they are designed to do and are operationally reliable in accomplishing their goals.

Vein blood sampling is one of the methods of mass blood sampling, and is an act of drawing blood from a vein for blood type discrimination, confirmation of various physiological indicators, disease diagnosis, and the like, and is the most commonly used blood sampling method. An important point in vein blood sampling is to search for the exact location of the vein and insert the blood sampling. This is influenced by the patient's obesity, skin and blood vessel conditions, and the experience of the clinical technologist, nurse, and resident who performs the blood sampling. It is required to perform blood sampling technique practice. However, due to many limitations of the practice room or laboratory, there is a problem of using only a limited environment and model for clinical practice. As a result, many medical educational institutions have situations in which only fragmentary clinical practices are performed, and it is difficult to per-form a large number of blood sampling skills practices, so they do not provide enough experience to understand the actual skill field. In this paper, we propose a method for developing a virtual reality-based vein blood sampling simulator to practice a large number of blood sampling techniques without restrictions. The proposed vein blood sampling simulator can operate a 3D model related to vein blood sampling using HMD Controller and Haptic in a virtual space for vein blood sampling practice by wearing an HMD (Head mounted display), and can perform vein blood sampling practice through interaction with the patient 3D model. there is. In addition, the effectiveness of the simulator developed for dental students was verified, and as a result of the verification, the potential of the proposed vein blood sampling simulator was confirmed.

Activities in the digital economy driven by information technology have rapidly increased in scope and speed in the aftermath of COVID-19. Meanwhile, social isolation accelerated by quarantine measures has increased concerns about individuals’ mental health. However, little is known about the specific consequences of online interactions, especially when applied in online fan community-based relationships where loyal community members are prevalent. Therefore, we examined whether a sense of virtual community (SOVC) can link fans’ online activities with their mental well-being and behavioral loyalty to the platform. For this purpose, we focus on BTS fandom “Adorable Representative MC for Youth” (ARMY) behaviors and attitudes on the fan community platform Weverse. With 202 valid data samples acquired from global ARMY, this study conducted a partial least squares–structural equation modeling analysis. The empirical findings reveal that SOVC in Weverse is significantly influenced by the intensity of online interactions with other fans and parasocial relationships with celebrities. SOVC is found to be the direct predictor of fans’ behavioral loyalty and mental well-being. When considering fans’ perceptions of other social media platforms, dissatisfaction with previous online fan communities enhances the intensity of online interactions with other fans in Weverse.

In the field of robotics education, introductory courses would ideally utilize heavy industrial arms for hands-on learning. This would provide students with valuable experience in joint programming, which involves direct control of each joint motor in the arm to accomplish desired path planning and differential movements. This practice requires consideration of the physical dynamics of the arm. However, the use of heavy industrial arms has several drawbacks. They are large and expensive, require specialized maintenance, can pose safety risks, and they typically do not allow for direct control of the joint motors. One solution is to use a small, lightweight, toy-like arm. While these are cost-effective and provide direct access to the joint motors without posing safety risks, their lightweight construction means they exhibit minimal dynamic behavior, which limits their educational value. Another solution involves a robotic arm simulator that uses a virtual arm. However, a virtual arm doesn't offer the same level of hands-on engagement and excitement as a physical arm. We propose a hybrid solution that combines a small physical arm with a virtual arm. This approach provides students with the experience of working with an industrial arm, but without the associated difficulties. We demonstrate how this approach successfully improved the completion rate of joint programming assignments, offering a promising solution for practical robotics education.

The complexity of objects and control systems increases the requirements for mathematical models. The structural identifiability (SI) assessment of nonlinear systems is one of the identification problems. Until now, this problem solves by parametric methods using various approximation methods. This approach is not always effective under uncertainty. We apply an approach to SI estimation based on the analysis of virtual structures. The requirements form for the system input based on the expansion of the excitation constancy property and S-synchronizability. The approach generalization to structural identifiability used in the analysis of systems with symmetric nonlinearity is given. homothety and identifiability conditions for systems with non-symmetric nonlinearities (SNN) obtained. The detectability and recoverability proofed for virtual frameworks (VF) guaranteed the SI estimation under uncertainty. The conditions under which the non-symmetric nonlinearity is hypothetical symmetric nonlinearity obtained. SI estimation examples considered for closed nonlinear systems under uncertainty.

The use of active video games or exergames has been booming recently, as they are motivating and promote exercise and healthy lifestyle habits for their users, and these immersive virtual reality (IVR) exercise programs could be compared to traditional physical exercise programs. A starting point for this would be to explore the physiological responses that can be generated by its use. Therefore, the main objective of this study was to evaluate the response across certain physiological parameters (heart rate, blood pressure and stress) after an IVR exergame exposure in a sample of healthy adults, and secondarily to explore its feasibility and usefulness as a tool to facilitate physical exercise. 37 healthy adults (22-54 years, 54.1% women) participated in the study. They carried out one exergaming session with the HTC Vive ProTM hardware. The primary outcome was evaluated using the concentration of cortisol, heart rate and blood pressure. Secondary outcomes were evaluated with safety using the Simulator Sickness Questionnaire (SSQ); usability evaluated with the System Usability Scale (SUS); personal experiences evaluated with Game Experience Questionnaire (GEQ) and perceived exertion through the Borg perceived effort scale. All participants completed the IVR session without significant adverse effects, and all physiological parameters analysed increased significantly in relation to pre-intervention levels. Perceived exertion corresponded to a moderate to intense exercise (6.30±0.50/10 on the modified Borg scale). All the sample considered the experience as good or very good and would recommend it. These findings support that our IVR session can be compared to a moderate to intense physical activity, as it involved similar perceived exertion with significant increases in heart rate, blood pressure and salivary cortisol levels.

A framework for optimal sensor placement (OSP) for virtual sensing using the modal expansion technique and taking into account uncertainties is presented based on information and utility theory. The OSP maximizes a utility function that quantifies the expected information gained from the data for reducing the uncertainty of quantities of interest (QoI) predicted at the virtual sensing locations. The utility function is extended to make the OSP design robust to uncertainties in structural model and modelling error parameters, resulting in a multidimensional integral of the expected information gain over all possible values of the uncertain parameters and weighted by their assigned probability distributions. Approximate methods are used to compute the multidimensional integral and solve the optimization problem that arises. The Gaussian nature of the response QoI is exploited to derive useful and informative analytical expressions for the utility function. A thorough study of the effect of model, prediction and measurement errors and their uncertainties, as well as the prior uncertainties in the modal coordinates on the selection of the optimal sensor configuration is presented, highlighting the importance of accounting for robustness to errors and other uncertainties.

Binge-eating disorder (BED) and bulimia nervosa (BN) have adverse psychological and medical consequences. Novel interventions, like the integration of virtual reality (VR) with cue-exposure therapy (VR-CET), enhance outcomes for refractory patients compared to cognitive behavior therapy (CBT). Little is known about the feasibility and acceptability of translating VR-CET into real-world settings. To investigate this question, adults previously treated for BED or BN with at least one objective or subjective binge episode/week were recruited from an outpatient University eating disorder clinic to receive up to eight weekly one-hour VR-CET sessions. Eleven of 16 (68.8%) eligible patients enrolled; nine (82%) completed treatment; 82% (9/11) provided follow-up data 7.1 (SD=2.12) months post-treatment. Overall, participant and therapist acceptability of VR-CET was high. Intent-to-treat objective binge episodes (OBEs) decreased significantly from 3.3 to 0.9/week (p < .001). Post-treatment OBE 7-day abstinence rate for completers was 56%, with 22% abstinent for 28 days at follow-up. Among participants purging at baseline, episodes decreased from a mean of one to zero/week, with 100% abstinence maintained at follow-up. The adoption of VR-CET into real-world clinic settings appears feasible and acceptable, with a preliminary signal of efficacy. Findings, including some loss of treatment gains during follow-up may inform future treatment development.

Despite recent developments in monitoring and visualizing construction progress, the data exchange between construction jobsite and office lacks automation and real-time recording. To address this issue, a near real-time construction work inspection system called iVR is proposed; this system integrates 3D scanning, extended reality, and visual programming to visualize interactive onsite inspection for indoor activities and provide numeric data. iVR comprises five modules: iVR-location finder (finding laser scanner located in the construction site) iVR-scan (capture point cloud data of jobsite indoor activity), iVR-prepare (processes and convert 3D scan data into a 3D model), iVR-inspect (conduct immersive visual reality inspection in construction office), and iVR-feedback (visualize inspection feedback from jobsite using augmented reality). An experimental lab test is conducted to validate the applicability of iVR process; it successfully exchanges required information between construction jobsite and office in a specific time. This system is expected to assist Engineers and workers in quality assessment, progress assessments, and decision-making which can realize a productive and practical communication platform, unlike conventional monitoring or data capturing, processing, and storage methods, which involve storage, compatibility, and time-consumption issues.

Biofilms are communities of microorganisms that can colonize biotic and abiotic surfaces playing a significant role in the persistence of bacterial infection and antibiotic resistance. About 65% and 80% of microbial and chronic infections are produced by biofilm formation. The increase in infections by multi-resistant bacteria draws attention to the discovery of new drugs based on natural inhibitory molecules. The inhibition of diguanylate cyclases (DGCs), the enzyme implicated in the synthesis of the second messenger, cyclic diguanylate (c-di-GMP), involved the biofilm formation, represents a potential method for preventing the biofilm development. It has been extensively studied using PleD protein as a model of DGC for in silico studies as virtual screening and as a model for in vitro studies in biofilms formation. In the present study 224205 molecules from natural products database, ZINC15 has been evaluated through molecular docking and molecular dynamic simulation, our result suggests trans-Aconitic acid (TAA) as a possible starting point for hit-to-lead methodologies to obtain new molecules capable of inhibiting the PleD protein and hence blocking the biofilm formation.

The novel coronavirus (SARS-CoV-2) is a human pathogen recently emerged in China, causing a global pandemic of severe respiratory illness (COVID19). SARS-CoV-2 makes entry into human cells through its spike (S) protein that binds to cell surface receptors. Widespread of SARS-CoV-2 has been attributed to high affinity of S protein to its receptor. A homology model of the receptor binding domain of SARS-CoV-2 S protein (RBD) was built. RBD- receptor docking and published molecular dynamics data were used to map the key RBD-receptor interaction hotspot (RBDhp) on the RBD. Primary virtual screening was carried out against RBDhp using more than 3300 compounds approved by U.S Food and Drug Administration (FDA) and other authorities for human use. Compounds that bind to hpRBD with a binding energy ≤ - 6.5 kcal/mol were subjected to secondary screening using a recently published cryo EM (2.9 Å) structure of RBD. A cardiac glycoside (dgitoxin), two anthracyclines (zorubicin and aclarubicin), a tetracycline derivative (rolitetracycline), a cephalosporin (cefoperazone) and a food dye (E-155) were predicted to be most potent inhibitors of RBD – receptor interaction. An anti-asthmatic drug (zafirlukast) and several other drugs (itrazol, fazadinium, troglitazone, gliquidone, Idarubicin, Oxacillin) were found to be high affinity binders that may have a potential to inhibit RBD – receptor interaction.

SARS-CoV-2 is the betacoronavirus responsible for the COVID-19 pandemic. It was listed as a potential global health threat by WHO due to high mortality, high basic reproduction number and lack of clinically approved drugs and vaccines for COVID-19. The genomic sequence of the virus responsible for COVID-19, as well as the experimentally determined three dimensional structure of the Main protease (Mpro) are available. The reported structure of the target Mpro was utilized in this study to identify potential drugs for COVID-19 using molecular docking based virtual screening of all approved drugs. The results of this study confirm preliminary reports that some of the drugs approved for treatment of other viral infections have the potential for treatment of COVID-19. Selected antiviral drugs, approved for human therapeutic applications, were ranked for potential effectiveness against COVID-19, based on predicted binding energy to the target Mpro of SARS-CoV-2, and novel candidates for drug repurposing were identified in this study. In addition, potential mechanisms for beneficial off target effects of some drugs in clinical trials were identified by using molecular docking.

With the existence of several programming languages such as C/C++, Java, C#, LISP, Prolog, Python, Simula, F#, Go, Haskell, Scala, Ruby, Dart, Swift, Groovy etc. and diverse paradigms like structured, object-oriented, list, aspect-oriented, service-oriented, web, mobile and logic programming, there is a need to perform an exhaustive comparative analysis of diverse compilers and environments before making a choice of implementation technology in software engineering. Optimization of compilers helps to reduce execution time by making use of high speed processor registers, thereby, eliminating redundant computation. This paper reports some series of performance analysis done with some popular programming languages including Java, C++, Python and PHP. Programs involving recursive and iterative functions like factorial of large numbers and binary search of large arrays were run on the various platforms with the execution time recorded in milliseconds and represented in a chart. This can aid in making a selection of the appropriate language to use for a given application domain.

Collision avoidance is an important feature in advanced driver-assistance systems, aiming at providing correct, timely and reliable warnings before an imminent collision (objects, vehicles, pedestrians, etc.). A co-simulation framework is proposed in this paper to address the design and evaluation of collision avoidances in a cyber-physical system. The co-simulation framework is supported on the interaction between SCANeR and Matlab/Simulink. From the best of authors’ knowledge, two main contributions are reported in this paper. Firstly, the modelling and simulation of virtual on-chip LIDAR sensors in a cyber-physical system (CPS) considering traffic scenarios is presented. The CPS is designed and implemented in SCANeR. Secondly, an obstacle recognition library with three specific Artificial Intelligence-based methods is also designed based on sensory information database provided by SCANeR. Three methods for collision avoidance detection are considered, i.e.; a multi-layer perceptron neural network, a self-organization map and a support vector machine. Finally, a comparison among these methods for detecting obstacles before different weather conditions is done with very promising results in terms of accuracy. The best results are achieved using the multi-layer perceptron in sunny and fog conditions, the support vector machine in rainy and self-organized map in snowy conditions.

With the increasing prominence of renewable energy sources providing flexibility to the power grid, there is a growing recognition of the need to expand virtual Energy Storage Systems (ESS) to replace traditional ESS, which faces challenges in terms of supply and scalability. Grid-connected microgrids can supply power stably and are being built, so they can be used as virtual ESS to provide flexibility to the power system. This study proposes an approach to determine the optimal Power Conversion System (PCS) and battery capacity for a Virtual Energy Storage System(VEES) based on a grid-connected microgrid incorporating Photovoltaic (PV) and ESS. In this paper, it is assumed that microgrids can provide flexibility to the grid by participating in the energy trading market, there are corresponding profits and penalties for order. Numerical examples are performed to demonstrate the effectiveness of the proposed method.

Background: Given that VR is applied in multiple domains, understanding the effects of cybersickness on human cognition and motor skills and the factors contributing to cybersickness gains urgency. This study aimed to explore the predictors of cybersickness and its interplay with cognitive and motor skills. Methods: 30 participants, 20-45 years old, completed the MSSQ and the CSQ-VR, and were immersed in VR. During immersion, they were exposed to a roller coaster ride. Before and after the ride, participants responded to CSQ-VR and performed VR-based cognitive and psychomotor tasks. Post VR session, participants completed the CSQ-VR again. Results: Motion sickness susceptibility, during adulthood, was the most prominent predictor of cybersickness. Pupil dilation emerged as a significant predictor of cybersickness. Experience in videogaming was a significant predictor of both cybersickness and cognitive/motor functions. Cybersickness negatively affected visuospatial working memory and psychomotor skills. Overall cybersickness’, nausea and vestibular symptoms’ intensities significantly decreased after removing the VR headset. Conclusions: In order of importance, motion sickness susceptibility and gaming experience are significant predictors of cybersickness. Pupil dilation appears as a cybersickness’ biomarker. Cybersickness negatively affects visuospatial working memory and psychomotor skills. Cybersickness and its effects on performance should be examined during and not after immersion.

With the rise of internet technology and the growth of mobile communications, the global economy has undergone a significant transformation, shifting towards digital and soft markets. As a result, great efforts have been made to establish virtual marketplaces that provide customers with an exceptional shopping experience. One crucial aspect of this new paradigm is marketing, which has led to the emergence of a new stage known as E-marketing. In E-marketing, understanding customer behavior is of utmost importance. Marketing teams and companies are eager to gain insights into how different customer segments react to their products. Marketing strategies are now developed based on customer information such as financial status, location, age, gender, and more. As a result, the abundance of customer data generated by these new commerce technologies has surpassed the capabilities of traditional data analysis methods. To extract valuable knowledge from this vast amount of data, data mining technologies have come into play. Techniques such as clustering, classification, and prediction are utilized to mine marketing data and uncover hidden patterns and trends. The impact of data mining on E-marketing has been the subject of analysis in this study. A questionnaire-based review was conducted to collect the necessary data, which was then analyzed using SPSS 23 software. The study's results demonstrate that data mining can significantly enhance the performance of E-marketing by providing intelligent and efficient predictions of customer behaviour. Moreover, this technology offers similar advantages for end-customers as well. By leveraging the power of data mining, companies can gain valuable insights, tailor their marketing efforts, and ultimately provide better products and services to their customers in the digital marketplace.

Background: Wilms tumor (WT) is the main renal tumor in children. SIOP-UMBRELLA Guidelines admit Nephron sparing surgery (NSS) in syndromic patients, and in small (<300 ml) nonsyndromic unilateral WTs, without lymph node involvement, and with a substantial expected remnant renal function, after neoadjuvant chemotherapy. We report our prechemotherapy transperitoneal robot-assisted partial nephrectomy (RAPN) in a unilateral non-syndromic Wilms tumor. Methods: A 6-year-old-child showed an exophytic 3.6 cm diameter solid rounding mass involving the upper right renal pole at an incidental abdominal echotomography. CT-scan and abdominal MRI proved no local infiltration neither lymph node involvement was appreciated, suggesting an exophytic mass easily resectable through a NSS robotic approach, with a low risk of rupture and no subverted renal anatomy. The preoperative imaging was not suggestive for WT. A virtual 3D reconstruction of the tumor was performed. Results: the oncologic board approved a robot-assisted partial nephrectomy with the intraperitoneal approach. The histopathologic analysis displayed a WT. The patient underwent 10 vincristine-doses adjuvant chemotherapy. 28-months follow-up showed no tumor recurrence. Conclusions: Intraperitoneal RAPN can represent an opportunity for WT and needs to be assessed as a challenging possibility. This case suggests a potential role of prechemotherapy RAPN in the near future for highly selected patients.

One of the most promising advancements in healthcare is the application of digital twin technology. Digital twins are virtual replicas of real-world human patients and can be used for monitoring, and diagnosis, and as a tool to design treatment strategies tailored to individual patients. Furthermore, digital twins could also be helpful in finding novel treatment targets and predicting the effects of drugs and other chemical substances in development. This review article delves into the various data sources and methodologies that contribute to the construction of digital twins. Each data source, including blood glucose levels, heart MRI and CT scans, cardiac electrophysiology, written reports, and multi-omics data, comes with different challenges regarding standardization, integration, and interpretation. We showcase how various datasets and methods are used to overcome these obstacles and generate a digital twin. While digital twin technology has seen significant progress, there are still hurdles in the way to achieving a fully comprehensive patient digital twin. Developments in non-invasive and high-throughput data collection, as well as advancements in modeling and computational power will be crucial to improve digital twin systems. We discuss a few critical developments in light of the current state of digital twin technology. Despite challenges, digital twin research holds great promise for personalized patient care and has the potential to shape the future of healthcare innovation.

This comprehensive review explores the advancements in Orthognathic and Oral Maxillofacial Surgery, focusing on the integration of 3D Printing and Virtual Surgical Planning (VSP). Traditional surgical methods, while effective, come with inherent risks and complications, and can lead to variability in outcomes due to the reliance on the surgeon's skill and experience. The shift towards patient-centric care necessitates personalized surgical methods, which can be achieved through advanced technology. The amalgamation of 3D printing and VSP revolutionizes surgical planning and implementation by providing tactile 3D models for visualization and planning, and accurately designed surgical guides for execution. This convergence of digital planning and physical modeling facilitates a more predictable, personalized, and precise surgical process. However, the adoption of these technologies presents challenges, including the need for extensive software training and the steep learning curve associated with computer-aided design programs. Despite these challenges, the integration of 3D printing and VSP paves the way for advanced patient care in orthognathic and oral maxillofacial surgery.

Protein-protein interactions (PPIs) are associated with various diseases; hence, they are important targets in drug discovery. However, the physicochemical empirical properties of PPI-targeted drugs are distinct from those of conventional small molecule oral pharmaceuticals, which adhere to the ”rule of five (RO5).” Therefore, developing PPI-targeted drugs using conventional methods, such as molecular generation models, is difficult. In this study, we propose a molecule generation model based on deep reinforcement learning, specialized for generating PPI inhibitors. By introducing a scoring function that can represent the properties of PPI inhibitors, we successfully generated potential PPI inhibitor compounds. The generated virtual compounds possess the desired properties for PPI inhibitors, and show similarity to commercially available PPI libraries. These generated virtual compounds are freely available as a virtual library.

Mincle, a C-type lectin, is expressed predominantly in macrophages, where it plays a role in the macrophage response to various microorganisms such as mycobacteria. Docking is a computational procedure in which various software packages generate different positions at which ligands bind to their receptors. Discovery Studio docking was used in Molegro Virtual Studios. ChemDraw and ChemDraw3D were used for ligand preparation and construction because the protein preparation performed using docking software was a very lengthy process. Mincle plays a novel and non-redundant role in the induction of inflammatory signaling in response to mycobacteria. One disadvantage of Molegro studio docking is that it does not show the metallic atoms with which it interacts but rather shows hydrogen bonding and amino acid interactions. Hypothetically, trehalose dimycolate (TDM) and trehalose dibenzenate (TDB) detected by macrophages ultimately lead to CARD9 signaling, thereby producing pro-inflammatory cytokines and chemokines that have the potential to be used therapeutically.

Poor social skills in autism spectrum disorder (ASD) are associated with reduced independence in daily life. Current interventions for improving the social skills of individuals with ASD fail to represent the complexity of real-life social settings and situations. Virtual reality (VR) may facilitate social skills training in social environments and situations proximal to real life, however, more research is needed for elucidating aspects such as the acceptability, usability, and user experience of VR systems in ASD. Twenty-five participants with ASD attended a neuropsychological evaluation and three sessions of VR social skills training, incorporating 5 social scenarios with three difficulty levels for each. Participants reported high acceptability, system usability, and user experience. Significant correlations were observed between performance in social scenarios, self-reports, and executive functions. Working memory and planning ability were significant predictors of functionality level in ASD and the VR system’s perceived usability respectively. Yet, performance in social scenarios was the best predictor of usability, acceptability, and functionality level in ASD. Planning ability substantially predicted performance in social scenarios, postulating an implication in social skills. Immersive VR social skills training appears effective in individuals with ASD, yet an error-less approach, which is adaptive to the individual’s needs, should be preferred.

A method is developed to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC). A structurally heterogeneous set of compounds active against MTBC was used to obtain a structural pattern model based on structural invariants. This model was statistically validated through a Leave-n-Out test. It successfully discriminated between active or inactive compounds over 86% in database sets and was also able to select new active chemical structures in external databases. The selection of new substituted pyrimidines, pyrimidones and triazolo[1,5-a]pyrimidines was particularly interesting because these structures could provide new scaffolds in this field. The seven selected candidates were synthesized and six of them showed activity in vitro.

Cloud computing refers to applications delivered as services over the Internet. Cloud systems employ policies that are inherently dynamic in nature and that depend on temporal conditions defined in terms of external events, such as the measurement of bandwidth, use of hosts, intrusion detection or specific time events. In this paper, we investigate an optimized resource management scheme named v-Mapper. The basic premise of v-Mapper is to exploit application-awareness concepts using software-defined networking (SDN) features. This paper makes three key contributions to the field: (1) We propose a virtual machine (VM) placement scheme that can effectively mitigate the VM placement issues for data-intensive applications; (2) We propose a validation scheme that will ensure that a service is entertained only if there are sufficient resources available for its execution and (3) We present a scheduling policy that aims to eliminate network load constraints. An evaluation was carried out with various benchmarks and demonstrated that v-Mapper shows improved performance over other state-of-the-art approaches in terms of average task completion time, service delay time and bandwidth utilization. Given the growing importance of supporting large-scale data processing and analysis in datacentres, the v-Mapper system has the potential to make a positive impact in improving datacentre performance in the future.

Cyber-physical Systems involve the creation, continuous updating and monitoring of virtual replicas that closely mirror their physical counterparts. These virtual representations are fed by real-time data from sensors, Internet of Things (IoT) devices and other sources, enabling a dynamic and accurate reflection of the state of the physical system. This emphasizes the importance of data synchronization, visualization and interaction within virtual environments as a means to improve decision-making, training, maintenance and overall operational efficiency. This paper presents a novel approach to a cyber-physical system to harness the power of Industry 4.0, Digital Twin technology, Virtual Reality (VR) and 3D SCADA in the context of monitoring and optimizing an olive mill. In conclusion, this paper presents a methodology that leverages digital twins and virtual reality to create an immersive, data-driven simulation and monitoring system for an olive mill. The proposed CPS takes data from the physical environment through the existing sensors and measurement elements in the olive mill, concentrates them and exposes them to the virtual environment through the Open Platform Communication United Architecture (OPC-UA) protocol, thus establishing a bidirectional and real-time communication. Furthermore, in the proposed virtual environment, the digital twin is interfaced with the 3D SCADA system, allowing it to create virtual models of the process. This innovative approach has the potential to revolutionize the olive oil industry by improving operational efficiency, product quality and sustainability, while optimizing maintenance practices.

BACKGROUNDRestrictive practices are defined by measures linked to physical and chemical restraints to reduce the movement or control behaviours during any emergency. Seclusion is an equal part of restrictive practices intended to isolate and reduce the sensory stimulation to safeguard the patient and those within the vicinity. Using interventions by way of virtual reality (VR) could assist with reducing the need for restrictive practices as it could help reduce anxiety or agitation by way of placing users into realistic and immersive environments. This could also aid staff to and change current restrictive practices.AIMTo assess the feasibility and effectiveness of using a VR platform to provide reduction in restrictive practice (RRP) training. METHODSThe study received ethics approval was obtained prior to starting the study from the Health Research Authority in United Kingdom (22/HRA/3030 REFERENCE). A randomised controlled feasibility study was conducted alongside of an evaluation at at 1 month and 6 within inpatient psychiatric wards at Southern Health NHS Foundation Trust, UK. Virti Virtual Reality scenarios will be used on VR headsets to provide training on reducing restrictive practices in 3 inpatient psychiatric wards. Outcome measures included General Self-Efficacy (GSE) scale, Generalised Anxiety Disorder Assessment 7 (GAD-7), Burnout Assessment Tool (BAT-12), The Everyday Discrimination (EDS) Scale, and the Compassionate Engagement and Action (CEA) Scale. RESULTSThe statistical significance of most variables is high, with the exception of the BAT12 score, compassionate engagement to others score, compassionate to others total score, compassionate engagement from others score, and compassionate from others total score, which exhibit lower statistical power in two-sample t-tests. To assess the acceptability, preference, and adherence of users to the Virti VR technology for RRP training, we calculated the System Usability Scale (SUS) scores and visualized the program's completion using pie charts. The majority of respondents reported SUS scores exceeding 70, with a mean SUS score of 71.79. In accordance with the insights provided by Bangor et al. (38), the VR platform demonstrated superior usability compared to approximately 62% of other products. we utilized the GAD7 score to assess the confidence levels within the two groups. We compared the data for the VR group and the control group after one month, as well as the baseline and one-month data for both the VR group and the control group. Given that the p-values are below 0.05 and the statistical power is high, it can be concluded that there are no statistically significant differences in confidence levels between the VR and control groups at baseline and day-30. CONCLUSIONSOur study has revealed the challenges associated with implementing such a program, even though the staff has given it high usability ratings. With the ongoing advancement of VR technology, we have the capability to create scenarios and simulations tailored to various healthcare environments. This empowers staff to receive more comprehensive and effective training for handling a wide range of situations.

Covid-19 is one of humanity’s biggest threat in the 21st century with WHO figures reporting 636 million cases and up to 6.6 million deaths globally. SARS-CoV-2, the virus that causes the Covid-19 disease, is characterized by high mutation which contributes to its rapid spread. While several vaccines have been produced to minimize the severity of the coronavirus and diverse treatment regimens have been approved by the US FDA under Emergency Use Authorization (EUA), SARS-CoV-2 viral mutations continue to derail the efforts of scientists as the emerging variants evade the recommended therapies. Nonetheless, diverse computational models exist that offer an opportunity to overcome the barriers involved in developing new drugs. In this review, the focus is on the use of various virtual screening techniques like molecular docking, molecular dynamics simulations, QSAR, pharmacophore modeling, and homology modeling in repurposing SARS-CoV-2 therapeutics. The results have been promising from the computer-aided drug design (CADD) studies in suggesting potential compounds for treatment of Covid-19 and helping in bringing the pandemic under control.

The RNA-binding protein Human antigen R (HuR) regulates stability, translation, and nucleus-to-cytoplasm shuttling of its target mRNAs. The protein has been progressively recognized as a relevant therapeutic target for several pathologies like cancer, neurodegeneration, as well as inflammation. Inhibitors of mRNA binding to HuR might thus be beneficial against a variety of diseases. Here we present the rational identification of structurally novel HuR inhibitors. In particular, by combining chemoinformatics approaches, high throughput virtual screening and RNA–protein pull-down assays, we show that the 4-(2-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)hydrazineyl)benzoate ligand exhibits dose-dependent HuR inhibition in binding experiments. Importantly, the chemical scaffold is new with respect to the so-far known HuR inhibitors, opening up a new avenue for the design of pharmaceutical agents targeting this important protein.

Wind power is one of the most important sources of renewable energy available today. A large part of the wind energy cost is due to the cost of maintaining wind power equipment. When a wind turbine component fails to function, it might need to be replaced under the less than ideal circumstances. This is known as corrective maintenance. To minimize unnecessary costs, a more active maintenance policy based on the life expectancy of the key components is preferred. Optimal scheduling of preventive maintenance activities requires advanced mathematical modeling. In this paper, an optimal preventive maintenance algorithm is designed using the renewal-reward theorem. In the multi-component setting, our approach involves a new idea of virtual maintenance which allows us to treat each replacement event as a renewal event even if some components are not replaced by new ones. The proposed optimization algorithm is applied to a four-component model of a wind turbine and the optimal maintenance plans are computed for various initial conditions. The modeling results showed clearly the benefit of PM planning compared to pure CM strategy (about 30% lower maintenance cost).

Skin melanoma presents increasing prevalence and poor outcomes. Progression to aggressive stages is characterized by overexpression of the transcription factor E2F1 and activation of downstream prometastatic gene regulatory networks (GRNs). Appropriate therapeutic manipulation of the E2F1-governed GRNs holds the potential to prevent metastasis however, these networks entail complex feedback and feedforward regulatory motifs among various regulatory layers, which make it difficult to identify druggable components. To this end, computational approaches such as mathematical modeling and virtual screening are important tools to unveil the dynamics of these signaling networks and identify critical components that could be further explored as therapeutic targets. Herein, we integrated a well-established E2F1-mediated epithelial-mesenchymal transition (EMT) map with transcriptomics data from E2F1-expressing melanoma cells to reconstruct a core regulatory network underlying aggressive melanoma. Using logic-based in silico perturbation experiments of a core regulatory network, we identified that simultaneous perturbation of Protein kinase B (AKT1) and oncoprotein murine double minute 2 (MDM2) drastically reduces EMT in melanoma. Using the structures of the two protein signatures, virtual screening strategies were performed with the FDA-approved drug library. Thus, by combining drug repurposing and computer-aided drug design techniques, followed by molecular dynamics simulation analysis identified two potent drugs (Cialis and Finasteride) that can efficiently inhibit AKT1 and MDM2 protein signatures respectively, and with better therapeutic properties. We proposed that these two drugs could be considered for the development of therapeutic strategies for the management of aggressive melanoma.

In recent times, voice assistants have become a part of our day-to-day lives, allowing information retrieval by voice synthesis, voice recognition, and natural language processing. These voice assistants can be found in many modern-day devices such as Apple, Amazon, Google, and Samsung. This project is primarily focused on Virtual Assistance in Natural Language Processing. Natural Language Processing is a form of AI that helps machines understand people and create feedback loops. This project will use deep learning to create a Voice Recognizer and use Commonvoice and data collected from the local community for model training using Google Colaboratory. After recognizing a command, the AI assistant will be able to perform the most suitable actions and then give a response. The motivation for this project comes from the race and gender bias that exists in many virtual assistants. The computer industry is primarily dominated by the male gender, and because of this, many of the products produced do not regard women. This bias has an impact on natural language processing. This project will be utilizing various open-source projects to implement machine learning algorithms and train the assistant algorithm to recognize different types of voices, accents, and dialects. Through this project, the goal to use voice data from underrepresented groups to build a voice assistant that can recognize voices regardless of gender, race, or accent. Increasing the representation of women in the computer industry is important for the future of the industry. By representing women in the initial study of voice assistants, it can be shown that females play a vital role in the development of this technology. In line with related work, this project will use first-hand data from the college population and middle-aged adults to train voice assistants to combat gender bias.

G protein-coupled receptors (GPCRs) are amongst the most pharmaceutically relevant and well-studied protein targets, yet unanswered questions in the field leave significant gaps in our understanding of their nuanced structure and function. 3D pharmacophore models are powerful computational tools in silico drug discovery, presenting myriad opportunities for the integration of GPCR structural biology and cheminformatics. This review highlights success stories in the application of 3D pharmacophore modeling to de novo drug design, discovery of biased and allosteric ligands, scaffold hopping, QSAR analysis, hit-to-lead optimization, GPCR de-orphanization, mechanistic understanding of GPCR pharmacology and elucidation of ligand-receptor interactions. Furthermore, advances in the incorporation of dynamics and machine learning will be highlighted. The review will analyze challenges in the field of GPCR drug discovery, detailing how 3D pharmacophore modeling can be used to address them. Finally, we will present opportunities afforded by 3D pharmacophore modeling in the advancement of our understanding and targeting of GPCRs.

Electric energy has become essential nowadays not only for the daily life of each of us but also for the economy of different countries. The dissemination of geographic information plays an important role in national development as it facilitates communication between managers, investors, and consumers in this sector. Since the management of electricity network data was previously done in Tunisia based on paper maps and plans, the purpose of this article is to present a case of planning based on GIS, Web, and 3D Web GIS, which would have significant positive consequences on this sector from a technical and financial sides with an improvement in customer satisfaction and the creation of an intelligent electricity network which will be a real decision-making tool. This work draws up an inventory of the network MV (Medium Voltage)/LV (Low Voltage) of the region of Medjez El Bab which routes electricity to the big centers of consumption with access to MV/LV subscribers. The analysis of the network's impedance allowed carrying out different scenarios to optimize performance and obtain more realistic routes. Many thematic maps were produced as part of this project (Slope map, Land use map, map of the MV voltage domains, map of the MV/LV transformer stations power, etc.). A three-dimensional virtual city has been developed to visualize the graphical and attribute data for the study area. A Web and 3D Web GIS applications that allows the publication of the interactive maps on the Web as well as the database information have been developed to offer users the possibility of consulting the produced products by internet. Finally, a website related to the study was developed.

Underwater Wireless Sensor Networks (UWSN) enables various oceanic applications which require effective packet transmission. In this case, sparse node distribution, dynamic network topology and inappropriate selection of relay nodes cause void holes. Addressing this problem, we present a Relay based Void Hole Prevention and Repair protocol (ReVOHPR) by multiple Autonomous Underwater Vehicles (AUV) for UWSN. ReVOHPR efficiently identifies and avoids void holes and trap relay nodes to avoid it. ReVOHPR adopts the following operations as Ocean Depth (levels) based Equal Cluster Formation, Dynamic Sleep Scheduling, Virtual Graph based Routing, and Relay Assisted Void Hole Repair. For energy efficient cluster forming, Entropy based Eligibility Ranking (E2R) is presented which elects stable cluster heads (CHs). Then, dynamic sleep scheduling is implemented Dynamic Kernel Kalman Filter (DK2F) algorithm in which Sleep and Active modes based on the nodes current status. Inter Cluster Routing is performed by maximum matching nodes which selects by Dual criteria and also data transmitted to AUV. Finally, void holes are detected and repair by Bi-Criteria Mayfly Optimization (BiCMO) algorithm. The BiCMO focuses on reducing the number of holes, data packet loss and maximizes Quality of Service (QoS) and energy efficiency of the networks. This protocol is timely deal with node failures in packet transmission via multi-hop routing. Simulation is implemented by NS3 (AquaSim module) simulator that evaluates the performance in network simulation for following metrics as average energy consumption, delay, packet delivery rate and throughput.

Drug repurposing, the practice of utilizing existing drugs for novel clinical indications, has tremendous potential for improving human health outcomes and increasing therapeutic development efficiency. The goal of multidisease multitarget drug repurposing, also known as shotgun drug repurposing, is to develop platforms that assess the therapeutic potential of each existing drug for every clinical indication. Our Computational Analysis of Novel Drug Opportunities (CANDO) platform for shotgun multitarget repurposing implements several pipelines via large scale modelling and simulation of interactions between comprehensive libraries of drugs/compounds and protein structures. In these pipelines, each drug is described by an interaction signature that is then compared to all other signatures that are then sorted and ranked based on similarity. Pipelines within the platform are benchmarked based on their ability to recover known drugs for all indications in our library, and predictions are generated based on the hypothesis that (novel) drugs with similar signatures may be repurposed for the same indication(s). The drug-protein interactions in the platform used to create the drug-proteome signatures may be determined by any screening or docking method but the primary approach used thus far has been an in house similarity docking protocol. In this study, we calculated drug-proteome interaction signatures using the publicly available molecular docking method Autodock Vina and created hybrid decision tree pipelines that combined our original bio- and cheminformatic approach with the goal of assessing and benchmarking their drug repurposing capabilities and performance. The hybrid decision tree pipeline outperformed the corresponding two docking-based pipelines it was synthesized from, yielding an average indication accuracy of 13.3% at the top10 cutoff (the most stringent), relative to 10.9% and 7.1% for its constituent pipelines, and a random control accuracy of 2.2%. We demonstrate that docking based virtual screening pipelines have unique performance characteristics and that the CANDO shotgun repurposing paradigm is not dependent on a specific docking method. Our results also provide further evidence that multiple CANDO pipelines can be synthesized to enhance drug repurposing predictive capability relative to their constituent pipelines. Overall, this study indicates that pipelines consisting of varied docking based signature generation methods can capture unique and useful signal for accurate comparison of drug-proteome interaction signatures, leading to improvements in the benchmarking and predictive performance of the CANDO shotgun drug repurposing platform.

The development of microbial products for cancer treatment has been in the spotlight in recent years. In order to accelerate the lengthy and expensive drug development process, in silico screening tools are systematically employed, especially during the initial discovery phase. Moreover, considering the steadily increasing number of molecules approved by authorities for commercial use, there is a demand for faster methods to repurpose such drugs. Here we present a review on virtual screening web tools, publicly available databases of molecular targets and libraries of ligands, with the aim to facilitate the discovery of potential anticancer drugs based on microbial products. We provide an entry-level step-by-step description of the workflow for virtual screening of microbial metabolites with known protein targets, as well as two practical examples using freely available web tools. The first case presents a virtual screening study of drugs developed from microbial products using Caver Web, a web tool that performs docking along a tunnel. The second case comprises a comparative analysis between a healthy isocitrate dehydrogenase 1, a mutant that results in cancer, using the recently developed web tool PredictSNP^Onco. In summary, this review provides the basic and essential background information necessary for virtual screening experiments, which may accelerate the discovery of novel anticancer drugs.

Arylamine N-acetyltransferases (NATs) are cytosolic enzymes, highly polymorphic, present in both eukaryotes and prokaryotes. These enzymes play an important role in the detoxification and activation of xenobiotics as well as in the synthesis of endogenous compounds. Specific NATs have been pointed out in the literature as possible therapeutic targets. In particular, the human NAT1, for the treatment of certain cancers, and the NAT from M. tuberculosis (TBNAT), for the treatment of tuberculosis. This paper describes an in silico approach to prospect and select potentially inhibitors of NAT1 and TBNAT from the Traditional Chinese Medicine (TCM) using free available tools. A library with ligands from TCM was previously screened in order to select only compounds with optimal pharmacological properties. The affinity of the selected ligands with respect to NAT enzymes was then evaluated by virtual screening (VS). Subsequently, the complexes with the best ligands were submitted to molecular dynamics (MD) simulations aiming to obtain better quality information on affinity and selectivity. The results for one specific ligand, ZINC14690579, indicated its potential for affinity and selectivity. ZINC14690579 structure may represent the discovery of a new scaffold for future development of NAT inhibitors.

This paper proposes an active-reactive power collaborative scheduling model with cluster division for the flexible distributed energy resources (DERs) of smart building system to resolve the high complexity of centralized optimal scheduling of massive dispersed DERs in the distribution network. Specifically, the optimization objective of each cluster is to minimize the operational cost, the power loss cost, and penalty cost for the flexibility deficiency, and the second-order cone-based branch flow method is utilized to convert the power flow equations into the linearized cone constraints, reducing the nonlinearity and heavy computation burden of the scheduling model. Customized virtual battery models for the building-integrated flexible DERs are developed to aggregate the power characteristics of flexible resources while quantifying their regulation capacities with time-shifting power and energy boundaries. Moreover, a cluster division algorithm considering the module degree index based on the electrical distance and flexible balance contribution index is formulated for cluster division to achieve the information exchange and energy interaction in the distribution network with high proportion of building-integrated flexible DERs. Comparative studies have demonstrated the superior performance of the proposed methodology on the economic merits and voltage regulation.

The metaverse, a virtual world comprising a collective virtual shared space where users interact with one another through avatars and computer-generated objects, aims to closely mimic our real world by integrating elements of Artificial Intelligence (AI), immersive reality, advanced connectivity, and Web3. As metaverse technologies gain momentum across multiple sectors, including animal farming, their potential for addressing complex challenges such as climate change and sustainability in precision food production systems becomes increasingly apparent. However, it is crucial to consider the ethical implications and the role of sensor data and livestock behavior analysis in developing metaverse technologies for modern animal farming, given the sensitive and controversial nature of animal welfare. Failure to address these ethical considerations and harness the power of sensor data and behavior analysis could lead to a lack of credibility and insensitivity towards adopting metaverse technologies in the animal farming sector. It is essential to ensure that the development of metaverse technologies does not prioritize technology over animal welfare, ethics, socio-economic implications, and the potential for data-driven insights. Addressing diversity and equity in the context of animal farming and the metaverse is crucial to avoid perpetuating existing inequalities during the implementation of metaverse technologies. This groundbreaking paper ventures into unexplored territory, shedding light on the untapped potential of the metaverse for modern animal farming. While research on this topic is still in its infancy, we embark on a journey of visionary speculation, presenting a compelling technology forecast that envisions the extraordinary possibilities awaiting us in the future. By delving into the metaverse's transformative capabilities, we provide a glimpse into a world where animal farming transcends its traditional limitations and embraces a new era of efficiency, sustainability, and ethical practices.

It is important that both static and dynamic information is efficiently used to create a suitable tourism plan. However, collecting, accumulating and managing dynamic information can cost tourists time, money and energy. The present study developed an original tourism support system was designed and developed with the purpose of reducing the burden of tourists who are unfamiliar with the tourist destinations in particular. An original tourism planning support system and web-geographic information systems (Web-GIS) were integrated into a single system, and two original functions were implemented. The system was operated targeting Osaka City, Japan for a period of one month. The information concerning 529 sightseeing spots was collected from tourism-related web media and then saved to the database of the system beforehand. During the operation period, a cumulative total of 160 users accessed the system. Based on the questionnaire survey results, most of the main functions were highly rated regardless of users’ travel experiences to the operation target area. Additionally, based on the access log analysis results, it was clear that the use of the system was in line with the purpose of the present study, as the number of visits to the page for the main functions were high.

During COVID-19 pandemic, drug repurposing represented an effective strategy to obtain quick answers to medical emergencies. Basing on previous data on Methotrexate (MTX), we evaluated the anti-viral activity of several DHFR inhibitors in two cell lines. We observed that this class of compounds showed a significant influence on the virus-induced cytopathic effect (CPE) partly associated to the intrinsic antimetabolic activity of these drugs, but also to a specific antiviral function. To elucidate the molecular mechanisms, we took advantage of our EXSCALATE platform for in-silico molecular modelling and further validated the influence of these inhibitors on nsp13 and viral entry. Interestingly, Pralatrexate and Trimetrexate showed superior effects in counteracting the viral infection compared to other DHFR inhibitors. Our results indicate that their higher activity is due to their polypharmacological and pleiotropic profile. These compounds can thus potentially give a clinical advantage in the management of SARS-CoV-2 infection in patients already treated with this class of drugs.

The main regulatory factors during the adaptation of cancer cells to hypoxic stress are the hypoxia-inducible factors (HIFs), which are being increasingly recognized as an interesting and challenging target for the design of new chemotherapeutic molecules. HIF2A was found to have an large internal hydrophilic cavity within its PAS-B domain, unique to this sub-unit and is suggested to be a possible ligand-binding site. Regulation of HIF2A by cellular molecules is still greatly unknown. In This paper we have employed in-silico techniques, such as molecular docking and dynamic simulation, to design new direct inhibitors against HIF-2A subunit via targeting one of its critical domains and the final top screened molecules have been tested on hypoxic cancer cells for further validation of their inhibitory potential. we targeted the hydrophilic cavity inside the PAS-B domain of the HIF2A to identify novel molecules with a high binding capacity. Virtual Screening methodology was used for molecular docking of NSC library against the target domain inside the HIF2A PAS-B domain with the top 5% compounds with significant MolDock and Re-rank scores were selected for further analysis. The NSC 106416, NSC 217021, NSC 217026, and NSC 215639 compounds were selected based on their docking scores. NSC 215639 had the minimum polar solvation energy and also had a relative strong binding energy. NSC 217026 had the strongest binding energy among other compounds.

Naturally occurring small molecules include a large variety of natural products from different sources that have confirmed activity against epigenetic targets. In this work we review chemoinformatic, molecular modeling and other computational approaches that have been used to uncover natural products as inhibitors of DNA metiltransferases, a major family of epigenetic targets with significant potential for the treatment of cancer and several other diseases. Examples of these computational approaches include docking, similarity-based virtual screening, and pharmacophore modeling. It is also commented the chemoinformatic-based exploration of the chemical space of naturally occurring compounds as epigenetic modulators which may have significant implications in epigenetic drug discovery and nutriepigenetics.

When the distance between an obstacle and a power line is less than the discharge distance, a discharge arc can be generated, resulting in interruption of power supplies. Therefore, regular safety inspections are necessary to ensure safe operations of power grids. Tall vegetation and buildings are the key factors threatening the safe operation of extra high voltage transmission lines within a power line corridor. Manual or LiDAR based-inspections are time consuming and expensive. To make safety inspections more efficient and flexible, a low-altitude unmanned aerial vehicle remote-sensing platform equipped with optical digital camera was used to inspect power line corridors. We propose a semi-patch matching algorithm based on epipolar constraints using both correlation coefficient and the shape of its curve to extract three dimensional (3D) point clouds for a power line corridor. Virtual photography was used to transform the power line direction from approximately parallel to the epipolar line to approximately perpendicular to epipolar line to improve power line measurement accuracy. The distance between the power lines and the 3D point cloud is taken as a criterion for locating obstacles within the power line corridor automatically. Experimental results show that our proposed method is a reliable, cost effective and applicable way for practical power line inspection, and can locate obstacles within the power line corridor with measurement accuracies better than ±0.5 m.

When a grid-forming (GFM) inverter is connected to a low or medium voltage weak power grid, the line impedance with resistive-inductive characteristics will cause power coupling. Typical GFM decoupling control strategies are designed under nominal line impedance parameters. However, there are deviations between the nominal line impedance and actual parameters, resulting in poor decoupling effects. Aiming at this problem, this paper proposes a power decoupling strategy based on a reduced-order extended state observer (ESO). Firstly, the power dynamic model of GFM is established based on the dynamic phasor method. Then, the model deviation and power coupling due to line impedance parameter perturbation are estimated as internal disturbances of the system, and the disturbances are compensated on the basis of typical power control strategy and virtual impedance decoupling. Good decoupling performance is obtained under different impedance parameters, improving the control strategy's robustness. Finally, the effectiveness of the proposed method is verified by the results of RT Box hardware-in-the-loop experiments.

Background Robotic-assisted thoracic surgery (RATS) has become the standard procedure for treating lung malignancy, offering numerous advantages over traditional methods. However, the minimally invasive nature of RATS presents unique challenges, notably a limited field of view and reduced tactile feedback for the surgeon. These limitations can significantly impact the surgeon's ability to navigate complex anatomical structures during surgery. To address these challenges, we recognized the need for enhanced preoperative familiarization with each patient’s specific anatomy. In response, we developed an innovative virtual reality (VR) surgical navigation system, utilizing head-mounted displays (HMDs), designed to provide surgeons with a more comprehensive and interactive understanding of the patient's anatomy before the actual surgery. This VR system aims to extend the surgeon's capabilities in both preoperative sumilation and intraoperative navigation, potentially mitigating the inherent limitations of RATS. Methods Three-dimensional (3D) volumized data, meticulously extracted from preoperative computed tomography (CT) scans, were seamlessly integrated into the Perspectus VR Education software. These data were then displayed on an HMD, facilitating an interactive 3D reconstruction of pulmonary structures. This reconstruction allowed for each structure to be visualized individually, enabling detailed preoperative resection simulations tailored to each patient's unique anatomy. During RATS, these specific 3D reconstructed images were made accessible within the surgeon's console through the TilePro™ multi-display input, providing real-time, intraoperative guidance. Results During the preoperative simulations, the 3D anatomic structure of the pulmonary vessels, as well as the spatial relationship between the lesion and adjacent tissues, were successfully visualized. This enhanced visualization enabled surgeons to thoroughly evaluate a patient's anatomy, significantly improving the safety and accuracy of the subsequent procedure. The integration of VR software with the HMD provided surgeons with a true 3D interaction with real patient data. This setup not only offered a unique perspective through the surgical console but also allowed for easy manipulation of the data on a mobile laptop, thereby enhancing the overall surgical planning process. Conclusions VR simulation using HMDs offers a viewing experience akin to that of a robotic 3D viewer, potentially providing an innovative avenue for surgeons to develop specific robotic surgical skills without the need for practicing on live patients. This technology, when integrated with routine imaging modalities, can significantly enhance preoperative planning. Such integration not only contributes to the safety but also improves the accuracy of anatomical resections. Our findings suggest that VR simulation with HMDs is particularly effective in assisting surgeons to accurately identify lesion locations in RATS, thereby optimizing surgical outcomes.

Nurses and paramedics play a pivotal role when Mass Casualty Incidents (MCI) occur, yet they often feel unprepared for such events. Implementation strategies for training activities, including Virtual Reality (VR) and Augmented Reality (AR) simulations, offer realistic and immersive learning experiences, enhancing skills and competencies for nursing students. The aim of this work was to investigate the adopted tools in studies on VR&AR simulations for training nursing and paramedic students in managing MCI. A scoping review was performed following the PRISMA-ScR statement, and the search strategy was conducted through five electronic databases from December 2022 to March 2023. Of 162 records identified, 27 full-text were screened and, six studies were included in this review. These studies involved students who were assigned to different training methods, including immersive VR simulation, written instruction, and traditional lecture. VR&AR and immersive simulation generally show promising evidences in enhancing practical skills and knowledge in MCI management. VR&AR showed to be promising in disaster education and preparedness training, offering different levels of immersiveness and engagement, encouraging active and experential learning. Further research is needed to determine their long-term effectiveness. The choice of training method should consider program goals, target population, and available resources.

Virtual assistants (VAs) have gained widespread popularity across a wide range of applications, and the integration of Large Language Models (LLMs) such as ChatGPT has opened up new possibilities for developing even more sophisticated VAs. However, this integration poses new ethical issues and challenges that must be carefully considered, particularly as these systems are increasingly used in public services: transfer of personal data, decision-making transparency, potential biases, and privacy risks. This paper, an extension of the work presented at IberSPEECH 2022, analyzes the current regulatory framework for AI-based VAs in Europe and delves into ethical issues in depth, examining potential benefits and drawbacks of integrating LLMs with VAs. Based on the analysis, this paper argues that the development and use of VAs powered by LLMs should be guided by a set of ethical principles that prioritize transparency, fairness, and harm prevention. The paper presents specific guidelines for the ethical use and development of this technology, including recommendations for data privacy, bias mitigation, and user control. By implementing these guidelines, the potential benefits of VAs powered by LLMs can be fully realized while minimizing the risks of harm and ensuring that ethical considerations are at the forefront of the development process.

With the automotive industry moving towards automated driving, sensing is increasingly important in enabling technology. The virtual sensors allow data fusion from various vehicle sensors and provide a prediction for measurement that is hard or too expensive to measure in another way or in the case of demand on continuous detection. In this paper, virtual sensing is discussed for the case of vehicle suspension control, where information about the relative velocity of the unsprung mass for each vehicle corner is required. The corresponding goal can be identified as a regression task with multi-input sequence input. The hypothesis is that the state-of-art method of Bidirectional Long-Short Term Memory (BiLSMT) can solve it. In this paper, a virtual sensor has been proposed and developed by training a neural network model. The simulations have been performed using an experimentally validated full vehicle model in IPG Carmaker. Simulations provided the reference data which was used for Neural Network (NN) training. The extensive dataset covering 26 scenarios has been used to obtain training, validation and testing data. The Bayesian Search was used to select the best neural network structure using root mean square error as a metric. The best network is made of 167 BiLSTM, 256 fully connected hidden units and 4 output units. Error histograms and spectral analysis of the predicted signal compared to the reference signal are presented. The results demonstrate the good applicability of neural network-based virtual sensors to estimate vehicle unsprung mass relative velocity.

Unmanned aerial vehicles (UAVs) represent a new model of social robots for home care of dependent persons. In this regard, this article introduces a study on people’s feeling of safety and comfort while watching the monitoring trajectory of a quadrotor dedicated to determining their condition. Three main parameters are evaluated: the relative monitoring altitude, the monitoring velocity and the shape of the monitoring path around the person (ellipsoidal or circular). For this purpose, a new trajectory generator based on a state machine, which is successfully implemented and simulated in MATLAB/Simulink®, is described. The study is carried out with 37 participants using a virtual reality (VR) platform based on two modules, UAV Simulator and VR Visualiser, both communicating through the MQTT protocol. The participants’ preferences have been a high relative monitoring altitude, a high monitoring velocity and a circular path. These choices are a starting point for the design of trustworthy socially assistive UAVs flying in real homes.

The emergence of SARS/MERS drug resistant COVID-19 with high transmission and mortality has recently been declared a deadly pandemic causing economic chaos and significant health problems. Like all coronaviruses, SARS-CoV-2 is a large virus that has many druggable components within its proteome. In this study, we focused on repurposing approved and investigational drugs by identifying potential drugs that are predicted to effectively inhibit critical enzymes within SARS-CoV-2. We shortlisted seven target proteins with enzymatic activities known to be essential at different stages of the virus life cycle. For virtual screening, the energy minimization of a crystal structure or modeled protein was carried out using Protein Preparation Wizard (Schrödinger LLC, 2020-1). Following active site selection based on data mining and COACH predictions, we performed a high-throughput virtual screen of drugs (n=5903) that are already approved by worldwide regulatory bodies including the FDA, using the ZINC database. Screening was performed against viral targets using three sequential docking modes (i.e. HTVS, SP and XP). Our in-silico virtual screening identified ~290 potential drugs based on the criteria of energy, docking parameters, ligand and binding site strain and score. Drugs specific to each target protein were further analyzed for binding free energy perturbation by molecular mechanics (prime MM-GBSA) and pruning the hits to the top 32 candidates. A top lead from each target group was further subjected to molecular dynamics simulation (MDS) using the Desmond module to validate the efficacy of the screening pipeline. All of the simulated hit-target complexes were predicted to strongly interact and with highly stable binding. Thus, we have identified a number of approved and investigational drugs with high likelihood of inhibiting a variety of key SARS-CoV-2 proteins. Follow-up studies will continue to identify inhibitors suitable for combination therapy based on drug-drug synergy to thwart resistance. In addition, the screening hits that we have identified provide excellent probes for understanding the binding properties of the active sites of all seven targets, further enabling us to derive consensus molecules through computer-aided drug design (CADD). While infections are expanding at a rampant pace, it must be recognized that resistance will grow commensurately through either genetic shift and/or genetic drift to all small molecule drugs identified. Vaccines should provide a more permanent solution through prevention, but resistivity is still a possible scenario. Nevertheless, a persistent multi-target drug development program is essential to curb this ongoing pandemic and to keep reemergence in check.

Virtual Reality (VR) technology in education has the potential to revolutionize the Indian school education system. This research study investigates the present state of VR adoption, perceived benefits, concerns, and future expectations among both students and educators. The survey-based approach collected responses from 45,000 students and 2,000 educators across a diverse range of schools in India. The findings highlight a mixed current landscape with significant room for expansion in VR utilization. Both students and educators express optimism regarding the benefits of VR, recognizing its capacity to enhance engagement, comprehension, and motivation in the learning process. However, challenges, including budget constraints, the need for training and support, and concerns about student safety, must be addressed to effectively integrate VR into education. Expectations for the future emphasize inclusivity, accessibility, and customized learning experiences. The research underscores the transformative potential of VR in Indian education while emphasizing the necessity of addressing practical challenges for its successful implementation.

Despite the proliferation of Blockchain Metaverse projects, the inclusion of physically disabled individuals in the Metaverse remains distant, with limited standards and regulations in place. However, the article proposes a concept of the Metaverse that leverages emerging technologies, such as Virtual and Augmented Reality, and the Internet of Things, to enable greater engagement of disabled creatives. This approach aims to enhance inclusiveness in the Metaverse landscape. Based on the findings, the paper concludes that the active involvement of physically disabled individuals in the design and development of Metaverse platforms is crucial for promoting inclusivity. The proposed framework for accessibility and inclusiveness in Virtual, Augmented, and Mixed realities of decentralised Metaverses provides a basis for the meaningful participation of disabled creatives. The article emphasises the importance of addressing the mechanisms for art production by individuals with disabilities in the emerging Metaverse landscape. Additionally, it highlights the need for further research and collaboration to establish standards and regulations that facilitate the inclusion of physically disabled individuals in Metaverse projects.

This study delves into the essential characteristics of the Metaverse and its impact on the real world. The Metaverse, a parallel universe composed of countless 3D virtual worlds, has become a hot topic in technology. With the development of advanced technologies such as Virtual Reality (VR), Augmented Reality (AR), blockchain, and Artificial Intelligence, the Metaverse is gradually changing people's lifestyles and work methods, expanding the boundaries of the digital economy. This study profoundly investigates the attributes of the Metaverse, such as asset digitization, application scenario-based, scope economy, industry universality, integrated innovation, and the platform ecosystem. Additionally, we propose a theoretical framework to aid in understanding and shaping this emerging field. We conducted a thorough study and analysis of a specific case, explored the key features of the Metaverse, unveiled the profound impact of Metaverse characteristics on social and economic development, and verified our theoretical framework with this case. This research provides new perspectives and methods for academic studies and offers robust support and guidance for practical applications and decision-making.

The massive amount of human biological, imaging and clinical data produced by multiple and diverse sources, necessitates integrative modeling approaches able to summarize all this information into answers to specific clinical questions. In this paper, we present a hypermodeling scheme able to combine models of diverse cancer aspects regardless of their underlying method or scale. Describing tissue-scale cancer cell proliferation, biomechanical tumor growth, nutrient transport, genomic-scale aberrant cancer cell metabolism, and cell signaling pathways that regulate the cellular response to therapy, the hypermodel integrates mutation, miRNA expression, imaging, and clinical data. The constituting hypomodels as well as their orchestration and links are described. Two specific cancer types, Wilms tumor (nephroblastoma) and non-small cell lung cancer, are addressed as proof of concept study cases. Personalized simulations over the actual anatomy of a patient have been carried out. The hypermodel has also applied to predict tumor control after radiotherapy and the relationship between tumor proliferative activity and response to neoadjuvant chemotherapy. Our innovative hypermodel holds promise as a digital twin based clinical decision support system and the core of future in silico trial platforms, although additional retrospective adaptation and validation is necessary.

The growing dependence on large language models (LLM)s highlights the urgent need to deepen trust in these technologies. Regular, rigorous validation of their expertise, especially in nuanced and intricate scenarios, is essential to ensure their readiness for clinical applications. Our study pioneers the exploration of LLM utility in the field of cardiology. We stand at the cusp of a transformative era where mature AI and LLMs, notably ChatGPT, GPT-4, and Google Bard, are poised to influence healthcare significantly. Recently, we put three available LLMs, OpenAI's ChatGPT-3.5, GPT-4.0, and Google's Bard, to the test against a significant Polish medical special-ization licensing exam (PES). The exams cover the scope of completed specialist training, focusing on diagnostic and therapeutic procedures, excluding invasive medical procedures and interven-tions. In our analysis, GPT-4 consistently outperformed the others, ranking first, with and Google Bard and ChatGPT- 3.5 following, respectively. The performance metrics underscore GPT-4's no-table potential in medical applications. Given a score improvement of over 23.5 % between two AI models released just four months apart, clinicians must stay informed and up-to-date about these rapidly evolving tools and their potential applications to clinical practice. Our results provide a snapshot of the current capabilities of these models, highlighting the nuanced performance dif-ferences when confronted with identical questions

Sacroiliac (SI) joint dysfunction can lead to debilitating pain but can be treated with minimally invasive sacroiliac joint fusion (SIJF). This treatment is commonly performed using 2D fluoroscopic guidance. This makes placing the implants without damaging surrounding neural structures challenging. Virtual surgical planning (VSP) using simulated fluoroscopic images may improve perioperative guidance. This article describes a workflow with VSP in SIJF using simulated fluoroscopic images and evaluates achieved implant placement accuracy. Routinely collected survey data on the added value of VSP were also evaluated. Ten interventions were performed on 10 patients by the same surgeon, comprising 30 implants; the median age was 39 years, and all patients were female. The overall mean implant placement accuracy was 4.9 ± 1.26 mm and 4.0 ± 1.44°. There were no malpositioning complications. The VSP helped the surgeon understand the anatomy and determine the optimal position and length of the implants. The average Likert scale score of the survey was 4.7, suggesting a positive role of VSP for SIJF. Planned positions of the implants could be reproduced in surgery with clinically acceptable accuracy and VSP was a valuable asset for the surgeon.

Seniors safety is a compelling need, which necessitates 24/7 real-time monitoring and timely dangerous action recognition. Being able to mirror characteristics of physical objects (PO) to corresponding logical objects (LO) and seamlessly monitor their footprints thus detect anomaly parameters, Digital Twins (DT) has been considered a practical way to provide virtual health services for seniors safety. Meanwhile, widely adopted Internet of Medical Things (IoMT) consisting of wearable sensors and non-contact optical cameras for self and remote health data monitoring also raises concerns on information security and privacy violation. Therefore, security of POs, LOs and reliable data sharing among healthcare professionals are challenging as constructing trust and privacy-preserving virtual health services. Thanks to characteristics of decentralization, traceability and unalterability, Blockchain is promising to enhance security and privacy properties in many areas like data analysis, finance and healthcare. This paper envisions a lightweight authentication framework (LAF) to enable secure and privacy-preserving virtual healthcare services. Leveraging Non-Fungible Token (NFT) technology to tokenize LOs and data streams on blockchain, anyone can certify the authenticity of a digital LO along with its synchronized data between PO without relying on a third-party agency. In addition, the NFT-based tokenization not only allows owners fully control their IoMT devices and data, but it also enables verifiable ownership and traceable transferability during data sharing process. Moreover, NFT only contains references to encrypted raw data that are saved on off-chain storage like local files or distributed databases, such a hybrid storage strategy ensures privacy-preservation for sensitive information. A proof-of-concept prototype is implemented and tests are conducted on a case study of seniors safety. The experimental evaluation shows the feasibility and effectiveness of the proposed LAF solution.

This work is part of an ongoing research project to develop an unmanned flying social robot to monitor dependants at home in order to detect the person’s state and bring the necessary assistance. In this sense, this paper focuses on the description of a virtual reality (VR) simulation platform for the monitoring process of an avatar in a virtual home by a rotatory-wing autonomous unmanned aerial vehicle (UAV). This platform is based on a distributed architecture composed of three modules communicated through the Message Queue Telemetry Transport (MQTT) protocol: the UAV Simulator implemented in MATLAB/Simulink, the VR Visualiser developed in Unity, and the new emotion recognition (ER) System developed in Python. Using a face detection algorithm and a convolutional neural network (CNN), the ER System is able to detect the person’s face in the image captured by the UAV’s on-board camera and classify the emotion among seven possible ones (surprise, fear, happiness, sadness, disgust, anger or neutral expression). The experimental results demonstrate the correct integration of this new computer vision module within the VR platform, as well as the good performance of the designed CNN, with around 85% in the F1-score, a mean of the precision and recall of the model. The developed emotion detection system can be used in the future implementation of the assistance UAV that monitors dependent people in a real environment, since the methodology used is valid for images of real people.

Human-to-human communication via the computer is mainly done using a keyboard or microphone. In the field of Virtual Reality (VR), where the most immersive experience possible is desired, the use of a keyboard contradicts this goal, while the use of a microphone is not always desirable (e.g. silent commands during task force training) or simply not possible (e.g. if the user has a hearing loss). Data gloves help to increase immersion within the VR as they correspond to our natural interaction. At the same time, they offer the possibility to accurately capture hand shapes, such as those used in non-verbal communication (e.g. thumbs up, okay gesture, ...) and in sign language. In this paper, we present a hand shape recognition system using Manus Prime X data gloves, including data acquisition, data preprocessing, and data classification to enable nonverbal communication within VR. We investigate the impact on accuracy and classification time of using an Outlier Detection and a Feature Selection approach in our data preprocessing. To obtain a more generalized approach, we also studied the impact of artificial Data Augmentation, i.e., we create new artificial data from the recorded and filtered data to augment the training dataset. With our approach, 56 different hand shapes could be distinguished with an accuracy of up to 93.28%. With a reduced number of 27 hand shapes, an accuracy of up to 95.55% could be achieved. Voting Meta-Classifier (VL2) has proven to be the most accurate, albeit slowest, classifier. A good alternative is Random Forest (RF), which was even able to achieve better accuracy values in a few cases and was generally somewhat faster. Outlier Detection has proven to be a effective approach, especially in improving classification time. Overall, we have shown that our hand shape recognition system using data gloves is suitable for communication within VR.

In recent years, pedestrian re-identification has gained a lot of interest due to its importance for many purposes such as security and safety. Many types of solutions have been proposed to solve this problem, where the majority are based on a features extraction such Convolution Neural Networks (CNNs). These approaches assume that only the identities that are in the training data can be recognized. The pedestrians in the training data are called In distribution (ID). However, in real world scenarios, new pedestrians and objects can appear in the scene and the model should detect them as Out Of Distribution (OOD). In our previous study , we proposed a pedestrian re-identification based on von-Mises Fisher (vMF) distribution. Each identity is embedded in the unit sphere as a compact vMF distribution far from other identities distributions. The embedding is done through a base CNN. Recently, proposed a framework called Virtual Outlier Synthetic (VOS), that detects OOD based on synthesising virtual outlier in the embedding space in an online manner. Their approach assumes that the samples from the same object maps to a compact space. This assumption aligns with the vMF based approach. Therefore, in this paper, we revisited the vMF approach and merged with VOS in order to detect OOD data points. We present our approach to merge both frameworks. We conducted several experiments to evaluate our proposed framework. Results showed that our framework was able to detect new pedestrian that do not exist in the training data in the inference phase. It also slightly helped to improve the re-identification performance.

The 21^st century has witnessed precipitous changes spanning from the way of life to the technologies that emerged. We have entered a nascent paradigm shift (industry 4.0) where science fictions have become science facts, and technology fusion is the main driver. Thus, ensuring that any advancement in technology reach and benefit all is the ideal opportunity for everyone. In this study, disruptive technologies of industry 4.0 was explored and quantified in terms of the number of their appearances in published literature. The study aimed at identifying industry 4.0 key technologies which have been ill-defined by previous researchers and to enumerate the required skills of industry 4.0. Comprehensive literature survey covering the field of engineering, production, and management was done from multidisciplinary databases: Google scholar, ScienceDirect, Scopus, Sage, Taylor & Francis and Emerald insight. Results of the electronic survey showed that 35 disruptive technologies were quantified and 13 key technologies: Internet of things, Big data, 3D printing, Cloud computing, Autonomous robots, Virtual and Augmented reality, Cyber physical system, Artificial intelligence, Smart sensors, Simulation, Nanotechnology, Drones and Biotechnology were identified. Both technical and personal skills to be imparted into the human workforce for industry 4.0 were reported. The study identified the need to investigate the capability and the readiness of developing countries in adapting industry 4.0 in terms of the changes in the education systems and industrial manufacturing settings. The study proposes the need to address integration of industry 4.0 concepts into the current education system.

This study investigated co-constructed research poetry as a way to understand the lived experiences of people affected by rarer dementia and as a means to use poetry to convey those experiences to healthcare professionals. Using mixed-methods, 71 people living with rarer dementia and care-partners (stakeholders) contributed to co-constructing 27 poems with professional poets; stakeholders’ verbatim words were analysed with descriptive qualitative analysis. Stakeholders were also surveyed and interviewed about their participation. Healthcare professionals (n = 93) were surveyed to elicit their responses to learning through poetry and its acceptability as a learning tool. Poems conveyed a shared narrative of different aspects of lived experience, often owing to atypical symptoms, misunderstandings by professionals, lack of support pathways, and a continuous struggle to adapt. Stakeholder surveys indicated it was a valuable experience to both co-create and respond to the poems, whilst group interviews revealed people’s experiences of the research poetry were characterised by reflection on lived experience, curiosity and exploration. Healthcare professionals’ responses reinforced the poetry’s capacity to stimulate cognitive and affective learning specific to rare dementia support and prompt both empathy and critical thinking in practice. As the largest poetry-based study that we are aware of, this novel accessible approach of creating group poems yielded substantial information about the experiences and needs of those affected by rarer dementia and how poetry can contribute to healthcare education and training.

Integrating voice assistant technology can potentially enhance accessibility and user interaction in web-based platforms for geospatial data visualisation and processing. This paper presents an open-source development incorporating a voice virtual assistant into the BStreams web application platform, designed specifically for visualising geospatial data. The study aimed to mitigate the observed limitations of virtual assistants in understanding the semantics and context of user commands in the geospatial domain. A discourse framework specialised for geospatial data was developed using a structured prototype methodology. In addition, a survey assisted in identifying commonly used English terminologies for geospatial data interaction. The questionnaire results were subsequently assessed using the ChatGPT natural language processing model. The application used open-source frameworks, including Web Speech API, Leaflet, Mapbox geocoding, and JavaScript. This investigation indicates that voice virtual assistants can potentially enhance human-computer interaction for geospatial data visualisation and processing. However, challenges related to natural language understanding, accents, and domain knowledge were raised. The paper advocates for further research to refine the integration of voice technology in this domain.

The human mind is multimodal. Yet most behavioral studies rely on century-old measures of behavior—task accuracy and latency (response time). Multimodal and multisensory analysis of human behavior creates a better understanding of how the mind works. The problem is that designing and implementing these experiments is technically complex and costly. This paper introduces versatile and economical means of developing multimodal-multisensory human experiments. We provide an experimental design framework that automatically integrates and synchronizes measures including electroencephalogram (EEG), galvanic skin response (GSR), eye-tracking, virtual reality (VR), body movement, mouse/cursor motion and response time. Unlike proprietary systems (e.g., iMotions), our system is free and open-source; it integrates PsychoPy, Unity and Lab Streaming Layer (LSL). The system embeds LSL inside PsychoPy/Unity for the synchronization of multiple sensory signals—gaze motion, electroencephalogram (EEG), galvanic skin response (GSR), mouse/cursor movement, and body motion—with low-cost consumer-grade devices in a simple behavioral task designed by PsychoPy and a virtual reality environment designed by Unity. This tutorial shows a step-by-step process by which a complex multimodal-multisensory experiment can be designed and implemented in a few hours. When conducting the experiment, all of the data synchronization and recoding of the data to disk will be done automatically.

COVID-19 pandemic has spurred intense research efforts to identify effective treatments for SARS-CoV-2. In silico studies have emerged as a powerful tool in the drug discovery process, particularly in the search for drug candidates that interact with various SARS-CoV-2 receptors. These studies involve the use of computer simulations and computational algorithms to predict the potential interaction of drug candidates with target receptors. The primary receptors targeted by drug candidates include the RNA polymerase, main protease, spike protein, ACE2 receptor, TMPRSS2, and AP2-associated protein kinase 1. In silico studies have identified several promising drug candidates, including Remdesivir, Favipiravir, Ribavirin, Ivermectin, Lopinavir/Ritonavir, and Camostat mesylate, among others. The use of in silico studies offers several advantages, including the ability to screen a large number of drug candidates in a relatively short amount of time, thereby reducing the time and cost involved in traditional drug discovery methods. Additionally, in silico studies allow for the prediction of the binding affinity of drug candidates to target receptors, providing insight into their potential efficacy. However, it is crucial to consider both the advantages and limitations of these studies and to complement them with experimental validation to ensure the efficacy and safety of identified drug candidates.

The reason for excessive multidecade deflections is still unclear after 70 years of the cantilever method that has been applied in building large-span segmental concrete bridges. The failure of the Koror-Babeldaob bridge gives the author a clue that the reason might be the boundary condition. The asymmetric properties of the bearing and prestress tendon draw the author’s attention. To understand the process of stress redistribution, the virtual stiffness method which is derived from the principle of minimum potential energy was created, and the phenomenon the author suggested named Material Inelasticity and Prestress Loss Coupling Effect is discovered. The unexplainable excessive deflection and prestress loss are found in the new load model. The calculation of excessive deflection is discussed. The new model fits the experience well. The optimization design methods and construction key points are proposed.

Satellite altimetry is successfully developing during the past three decades for the sea level, ocean dynamics, coastal oceanography, planetary waves, ocean tides, wind and wave, ice cover, Earth’s gravity field, and climatology research. We propose a new essential add-on of satellite altimetry related to the peculiarities of the orbits of the Topex/Poseidon and Jasons’ satellite missions which were not mentioned before in the scientific publications. Derived subsets of “self-crossover” and “inter-crossover” points in sub-polar latitudes are discussed in detail in the context of water exchange, and wind-wave dynamics, and potential challenges to be solved. The relatively short time lags between measurements at these crossovers provide additional information on anomalies of magnitudes and directions of ocean currents, and characteristics of wind-driven waves. Resulting data snapshots with constant space and time intervals can be regarded as time series of virtual buoys, an analog of continuous buoy measurements of the sea level, wind speed, and wave height. Areas of the World Ocean where these specific crossovers occur are described in the context of water exchange, wind wave studies, and potential challenges to be solved. The value of these special crossovers for studies and monitoring of the sub-polar seas is illustrated by a case study.