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.

With the emergence of new VR/AR technologies, the question arises of how they can be used in human-swarm interaction. Where are the limitations and boundaries of conventional interfaces, and how can VR/AR overcome them? To find out, a user study was conducted. The subjects were able to interact with an autonomously acting swarm of drones using both a conventional desktop interface (Desktop-HSI) and a newly developed VR interface (VR-HSI).The resulting assessments are used as a basis for determining the extent to which this new technology can be applied in human-swarm interaction. The technical basis was an already tested simulation software that was expanded with a network interface to allow interacting with a drone swarm using connected HSIs (Human-Swarm Interfaces). Standardized communication was emphasized to enable the development of HSIs with different requirements. Specifically for this work, a VR-HSI was developed with Unity and a desktop-HSI with Java and their performance regarding human-swarm interaction was evaluated.

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.

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).

Cancer is a multifactorial disease that continues to increase. Lignans are known to be important anticancer agents. However, due to the structural diversity of lignans, it is difficult to associate anticancer activity with a particular subclass. Therefore, the present study sought to evaluate the association of lignan subclasses with antitumor activity, considering the genetic profile of the variants of the selected targets. For this, predictive models were built against the targets tyrosine-protein kinase ABL (ABL), epider-mal growth factor receptor erbB1 (EGFR), histone deacetylase (HDAC), Serine/threonine-protein kinase mTOR (mTOR) and Poly [ADP-ribose] polymerase-1 (PARP1). Then, mapped single nucleotide polymorphisms and designed target mutations, and performed molecular docking with the lignans with the best predicted biological activity. The results showed more anticancer activity in the dibenzocyclooctadiene, furofuran and aryltetralin subclasses. The lignans with the best predictive values of biological activity showed varying binding energy results in the presence of certain genetic variants.

An energy model that correlates fan airflow, head, speed, and system power input is essential to detect device faults and optimize control strategies in fan systems. Since the application of variable frequency drives (VFDs) makes the motor efficiency data published by manufacturers inapplicable, the fan efficiency and drive (belt-motor-VFD) efficiency must be identified for each individual system to obtain accurate energy models. The objectives of this paper are to identify an energy model of existing VFD-motor-fan systems using available experimental data and demonstrate its applications in loose belt fault detection and virtual airflow meter development for optimal control. First, an approach is developed to identify the fan head, fan efficiency and drive efficiency curves using available fan head, speed, and system power input as well as temporarily measured airflow rate without measuring shaft power. Then the energy model is identified for an existing VFD-motor-fan system. Finally, the identified model is applied to detect the slipped belt faults and develop the virtual airflow meter. The experiment results reveal that the developed approach can effectively obtain the energy model of VFD-motor-fan systems and the model can be applied to effectively detect slipped belt faults and accurately calculate the fan airflow rate.

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.

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.

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.

Background: This work presents Com@Rehab, a technological patient-centred activity for individuals needing a physical rehabilitation approach and with a specific loss of functionality. Within this scope, this paper focuses on the description of the activity in virtual reality (VR), its components, design and user profile, and its versatility and future adaptability regarding different ages, pathologies and rehabilitation contexts. Methods: The VR activity has been customised according to the patient's clinical needs while replicating an activity of daily living, namely showering. In addition, to validate and get feedback on the developed system, a validation questionnaire was applied to a group of healthy individuals to test the efficiency of the technology that supports the VR activity. Results: Preliminary results show that 94% of the participants recommended the experience, the performance of the various components of the system was successfully implemented, participants quickly adhered to the VR technology, and the UI assistant’s functionality should be improved. Conclusion: This solution creates a more effective, interactive, humanised rehabilitation approach based on a Virtual Reality (VR) activity. The Com@Rehab Communication Module improves human-human and human-machine communication while contributing to health literacy.

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.

Analytical mechanics is the most basic discipline. The basic principles of analytical mechanics should also be applicable to general deformed objects. However, the virtual displacement principle proposed by analytical mechanics is only applicable to particle systems and rigid body systems, but not to general deformed objects. In this paper, the generalized virtual displacement principle of general deformed objects (such as, elastic objects, plastic objects, elasto-platic objects and flexible objects etc ) is derived by the method of analytical mechanics, which is also applicable to particle systems and rigid body systems. First of all, according to the method of analytical mechanics, the external force, internal force, constraint reaction force and elastic recovery force of the deformed object system under the equilibrium state are analyzed, and the concepts of virtual displacement, ideal constraint and virtual work are introduced, and the generalized virtual displacement principle (also called generalized virtual work principle) of deformed objects is proposed; secondly, vector form, coordinate component form and generalized coordinate form of generalized virtual displacement principle of deformed object are given; thirdly, as the application of the principle, the virtual displacement principle of deformed objects in plane polar coordinate system, space cylindrical coordinate system and spherical coordinate system is given; finally, a brief conclusion is drawn. This work unifies the virtual displacement principle of elastic object, plastic, elastoplastic etc deformed object systems and rigid object systems with the basic method of analytical mechanics. It is a basic principle for dealing with the static problems of deformed objects. This work also lays a foundation for the further study of the dynamics of deformed object systems.

This paper proposes an algorithm for transmitting and reconstructing the estimated point cloud using temporally estimating a dynamic point cloud sequence. When a non-rigid 3D point cloud sequence (PCS) is input, the sequence is divided into groups of point cloud frames (PCF), and a key PCF is selected. After the 3D skeleton is predicted through 3D pose estimation, the motion of the skeleton is estimated by analyzing the joints and bones of the 3D skeleton. For the deformation of the non-rigid human PC, the 3D PC model is transformed into a mesh model, and the key PCF is rigged using the 3D skeleton. After deforming the key PCF into the target PCF utilizing the motion vector of the estimated skeleton, the residual PC between the motion compensation PCF and the target PCF is generated. If there is a key PCF, the motion vector of the target PCF, and a residual PC, the target PCF can be reconstructed. Just as compression is performed using pixel correlation between frames in a 2D video, this paper compresses 3D PCF by estimating the non-rigid 3D motion of a 3D object in a 3D PC. The proposed algorithm can be regarded as an extension of the 2D motion estimation of a rigid local region in a 2D plane to the 3D motion estimation of a non-rigid object (human) in 3D space. Experimental results show that the proposed method can successfully compress 3D PC sequences. If it is used together with a PC compression technique such as MPEG PCC (point cloud compression) in the future, a system with high compression efficiency may be configured.

This research paper explores the transformative potential of immersive media, specifically virtual reality (VR), in enhancing empathy among users. Empathy is vital in fostering understanding, compassion, and social cohesion. Immersive media, with its ability to transport individuals into simulated environments and perspectives, offers unique opportunities to bridge the empathy gap. This paper examines how VR can boost empathy, including perspective-taking, emotional connection, experiential learning, breaking down barriers, and empathy-building simulations. It discusses existing studies and empirical evidence supporting the effectiveness of VR in promoting empathy. The paper acknowledges the ethical considerations and challenges associated with using VR for empathy enhancement, such as avoiding stereotype reinforcement and ensuring inclusive design. By highlighting the potential of immersive media in cultivating empathy, this research paper contributes to the growing field of empathy research and provides insights for the development and application of VR experiences aimed at fostering empathy and understanding in diverse contexts.

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.

Ligand-based virtual screening (LBVS) is a promising approach for rapid and low-cost screening of potentially bioactive molecules in the early stage of drug discovery. Compared with traditional similarity-based machine learning methods, deep learning frameworks for LBVS can more effectively extract high-order molecule structure representations from molecular fingerprints or structures. However, the 3D conformation of a molecule largely influences its bioactivity and physical properties, and has rarely been considered in previous deep learning-based LBVS methods. Moreover, the relative bioactivity benchmark dataset is still lacking. To address these issues, we introduce a novel end-to-end deep learning architecture trained from molecular conformers for LBVS. We first extracted molecule conformers from multiple public molecular bioactivity data and consolidated them into a large-scale bioactivity benchmark dataset, which totally includes millions of endpoints and molecules corresponding to 954 targets. Then, we devised a deep learning-based LBVS called EquiVS to learn molecule representations from conformers for bioactivity prediction. Specifically, graph convolutional network (GCN) and equivariant graph neural network (EGNN) are sequentially stacked to learn high-order molecule-level and conformer-level representations, followed by attention-based deep multiple-instance learning (MIL) to aggregate these representations and then predict the potential bioactivity for the query molecule on a given target. We conducted various experiments to validate the data quality of our benchmark dataset, and confirmed EquiVS achieved better performance compared with 10 traditional machine learning or deep learning-based LBVS methods. Further ablation studies demonstrate the significant contribution of molecular conformation for bioactivity prediction, as well as the reasonability and non-redundancy of deep learning architecture in EquiVS. Finally, a model interpretation case study on CDK2 shows the potential of EquiVS in optimal conformer discovery. The overall study shows that our proposed benchmark dataset and EquiVS method have promising prospects in virtual screening applications.

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.

The purpose of this study is to investigate and validate the influencing factors of audiences’ attitude toward virtual concerts. To address this issue, the current study proposes a conceptual model integrating player experiences’ factors (autonomy, relatedness, and engagement) and the technology acceptance model (perceived usefulness, perceived ease of use, and perceived enjoyment). An online questionnaire on virtual concert experiences was distributed to Chinese audiences who had attended virtual concerts. Structural equation modeling was then used to establish the relationship between variables. The results suggested autonomy, relatedness and engagement positively impacted perceived usefulness, perceived ease of use, and perceived enjoyment. Furthermore, the perceived usefulness, perceived ease of use, and perceived enjoyment were significant predictors of audiences’ attitude. The findings of this study can provide a reference for relevant virtual entertainment providers and can also serve as a point of development and exploration for technology acceptance model and player experience in the field of virtual concerts.

1) Background: This study focused on the validity of audible replies to voice queries in gyneco-logic oncology by Siri, Alexa, Google, and Cortana virtual assistants (VAs).; (2) Methods: 21 evaluators analyzed VA audible answers to voice queries related to gynecologic oncology. A 3-tier template was utilized for each voice query: “X?” (A), “What is X?” (B), and “Define X?” (C) in a 24-question panel, allowing questions to be posed in different formats to assess the VAs at a greater depth. Responses were scored using a rubric designed to assess the validity and quality of each answer; (3) Results: For general queries, Google provided the most correct audible replies (ncorrect = 20; 83.3% correct), followed by Alexa (ncorrect = 16; 66.7% correct), Siri (ncorrect = 11; 45.8% correct), and Cortana (ncorrect = 5; 20.8% correct.; For Gynecologic Oncology related queries, Google also provided the most correct audible replies (ncorrect=222; 18.14%), followed by Alexa (ncorrect=75; 6.51%), Siri (ncorrect=55; 5.46%), and Cortana (ncorrect=23; 2.28%). (4) Conclusions: The audible replies to oral queries on gynecologic oncology topics varied between Siri, Alexa, Google, and Cortana. Google’s audible reply accuracy was superior to audible replies by Siri, Alexa, and Cortana. Since there is room for considerable improvement in VA performance, the authors advise caution when using VAs for medical queries in gynecologic oncology.

Active learning has demonstrated its effectiveness regarding the improvement of the capacities of abstraction, comprehension, and development of cognitive, expression and relationship skills of the students. In this study, the redesign and implementation of an electromagnetism course for engineering students is presented, under the methodology of Backward Design (BD), recognized for its attributes for the development of active learning and its possibility of specifying the fun-damentals and principles of engineering education in the development of syllabus in higher ed-ucation. The purposes of this study were: 1) To implement the Backward Design (BD) methodology to develop argumentative, purposeful and interpretive skills in an electromagnetism course; 2) Design and apply rubrics to evaluate tests and laboratory reports, determine the level that best suits the knowledge, skills and competencies of students. 3) Assess the perception of students regarding the use of the methodology, their contributions to the development and understanding of the concepts of the course. The results of this educational research experience shown that the BD teaching approach was pedagogical and significantly superior to conventional models towards improving knowledge and skills of electromagnetism based on Hake's statistic (h) reached 0.73 that allow us to conclude that there was a learning gain in the students.

Purpose: This study aims to analyze the factors that affect the behavior of user-defined avatars in different virtual environments, and compare the differences in public self-awareness, self-expression, and emotional expression among customized avatars in multiple virtual contexts. Methods: Using a between-subjects experimental design, two random groups of participants were asked to customize avatars for themselves in two contexts, a multiplayer online social game (MOSG) and a virtual meeting (VM). i.e. a relaxed and a serious social environment. Results: When subjects perceived a more relaxed environment, the customized avatars had less self-similarity, and the subjects exhibited a stronger self-disclosure willingness and enhanced avatar wishful identification; nevertheless, public self-consciousness was not increased. When subjects perceived a more serious environment, the customized avatars exhibited a higher degree of self-similarity, and the subjects exhibited a greater self-presentation willingness, along with enhanced identification of avatar similarity, and increased public self-consciousness. Conclusions: Participants expressed positive emotions, suggesting that avatars play a positive role in various virtual contexts. The virtual context affects the self-similarity of user-customized avatars, and avatar self-similarity affects self-presentation and self-disclosure willingness, and these factors will affect the behavior of the user-customized avatar. This study contributes suggestions to the Metaverse avatar customization platform design.

Internationalization and alternative ways for strategic management have been an objective for stakeholders in cultural industry, especially after COVID-19 pandemic crisis. During the past years “internationalization” has been almost exclusively related with promoting creation or content to larger audiences. Such a strategy seemed sufficient, even if empirical data did not always support such a belief. Technological progress and costs reduction in developing Virtual Reality (VR) and Augmented Reality (AR) applications, provides to cultural industry the opportunity to reach global audiences and to enrich their experience. Current research provides evidence about developing VR and AR tools that can act as internationalization facilitators when it comes to cultural industry. Research conducted during “VARSOCUL” project funded by the European Regional Development Fund (ERDF) as part of the Greek National Scope Action entitled "RESEARCH-CREATE-INNOVATE". The project’s main result, alongside with VR and AR tools developed are presented.

Augmented reality (AR) offers an accessible, inexpensive, and rich user experience that has the potential to engage end-users in an immersive environment. Along with vivid visualizations coupled with virtual agents, this technology further develops learning interest in end-users, guides them in various tasks, and boosts motivation and productivity. In this study, we leverage the deep penetration of mobile phones in daily lives and their advanced features to design, develop and demonstrate an AR application (CirculAR) that offers unique user-environment interaction in a gamified way. CirculAR combines learning with enjoyment to help end-users understand fundamental sustainability and circular economy principles. The application has been showcased in a controlled environment to heterogenous audiences and has been shown to improve end-user engagement and motivation. First, participants older than 18 were recruited to showcase the technology acceptance and engagement towards circular economy principles through AR. Then, students aged 5 to 15 years old, along with their parents and educators, were invited to a treasure hunt game where our virtual agent ARis guided them through a map full of virtual experiences. Assessment and evaluation were performed through a survey and a questionnaire. The outcome of their analysis showcased an increase in the dedication and enjoyment of the performed activities, engagement and learning attributes given the AR virtual agent supporting functionalities. Observations during showcasing reported a need for more commitment from the younger audience compared to the older one. This application contributes to the discourse on mobile AR as a tool for the education of novel concepts with a high impact on our daily lives and decisions and aims to shed light on the design principles of educative tools.

The shield tunnels inevitably endure various damage with the service time increasing. Meanwhile, steel corrugated plate has been used extensively in multiple conditions and proved effective to strengthen the segmental joints by full-scale tests. A numerical model is proposed to probe the feasibility of using new Stainless Steel Corrugated Plate (SSCP) to reinforce the shield tunnel segments. A new method, called virtual tracking element technology, is employed to achieve the simulation of realistic stress state of the segmental joint. Moreover, the segmental joint component analysis and parametric study are conducted based on the numerical model. The results demonstrate that: (1) the virtual tracking element technology proves valid and efficient to simulate the secondary stress state of segmental joint; (2) SSCP reinforcement is not fully utilized when the grade of segmental concrete is C50 and it has abundant safety margin for potential overload; (3) SSCP reinforcement is well-performed regardless of the burial depth and reinforcement in advance is recommended.

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 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 real-time flight simulation tool is proposed using a Virtual Reality Head-Mounted Display (VR-HMD) for airships operating in beyond the line-of-sight (BLOS) conditions. Particularly, the VR-HMD is developed for stratospheric airships flying at low/high altitudes. The proposed flight simulation tool uses the corresponding aerodynamics characteristics of the airship, the buoyancy effect, mass balance, added mass, propulsion contributions and ground reactions in the FlightGear Fight Simulator (FGFS). The VR headset has been connected to the FGFS along with the radio controller containing the real-time orientation/state of each button that is also simulated to provide better situational awareness and a Head-Up Display (HUD) that has been developed to provide the required flight data. In this work, a system was developed to connect the FGFS and the VR-capable graphics engine, Unity, to a PC and a wireless VR-HMD in real-time with minimal lag between data transmission. A balance was found for FGFS to write to a CSV file at a period of 0.01s. For Unity, the file was read every frame which translates to around 0.0167s (60 Hz). A test procedure was also conducted with a similar rating technique based on the NASA TLX questionnaire that identifies the pilot’s spare mental capacity when completing an assigned task to assure the comfortability of the proposed VR-HMD. Accordingly, a comparison has been made for the aircraft control using the desktop simulator and the VR-HMD tool. Results, showed that the current iteration of the system is ideal to train pilots on using similar systems in a safe and immersive environment. Furthermore, such an advanced portable system may even increase the situational awareness of pilots and allow them to complete a sizeable portion of actual flight tests with the same data transmission procedures in simulation. The resulting VR-HMD flight simulator is also conceived to express the ground control station (GCS) concept and transmit flight information as well as the point of view (POV) visuals in real-time using the real environment broadcasted using an onboard camera.

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.

Visualization techniques are a powerful communication tool between construction stakeholders. The advancement of technology from 2D drawings to 3D models, Virtual Reality (VR), and Augmented Reality (AR) has emphasized the crucial role of efficient communication of ideas, designs, and concepts in preventing project delays and other issues in the Architecture, Engineering, and Construction (AEC) industry. Contemporary innovations such as web-based virtual reality cloud platforms that facilitate collaborative AEC projects and Head-mounted Displays that enable the viewing of VR environments are some of the latest technological developments that are emerging in the construction industry. These technological advances have the potential to improve communication, increase project efficiency, and enhance the quality of construction work. The purpose of this research is to identify existing trends and potential future directions by appropriating the state of the art of the intellectual growth of Virtual reality and Augmented Reality. The study used scientometric analysis in reviewing existing publications to scientifically map the evolution of VR and AR in the AEC sector. The study observed an emerging but little amount of publications on VR and AR in construction. While Africa contributes little significance, advancement in VR and AR research is led by United States and America. The study expresses concern over the dearth of research and the low amount of collaborations amongst institutions in diverse countries. The study concludes that VR and AR research in the AEC sector must be afforded the needed focus and attention. In recent times, the global Coronavirus pandemic has shown that technology such as VR and AR is inevitable in the success of a project.

Simulation-Based Medical Education that uses Virtual Patients has become increasingly important during the COVID-19 pandemic. With the need for social distancing and minimizing contact, medical simulation technology has provided a valuable tool for healthcare professionals to practice and improve their skills without the need for face-to-face interactions. MedSIM is a medically accurate simulation platform with Virtual Patients designed for undergraduate medical education. Our study involved two groups of students. The PreCOVID group, before the pandemic, underwent conventional teaching methods. The COVID group, during the pandemic, had students exposed to conventions skills taught earlier and were taught again with MedSIM. Students indicated high satisfaction with the clinical skills demonstrated by the Virtual Patients. More than half agreed that MedSIM had enabled them to perform all kinds of procedures on patients (PreCOVID group 68.8%, COVID group 71.3%), showed cues and consequences much like those in natural clinical environments (PreCOVID 68.4%, COVID 71.3%). Also, MedSIM allowed them to have a repetitive practice that helps in critical skills transfer to actual patients (PreCOVID 72.7%, COVID 74.7%). MedSIM met the expectations of most of the students. Students from both groups rated the online performance of the MedSIM simulator as "Very good." Analysis from a customized word cloud indicated that most students found MedSIM to be good and of educational value. MedSIM platform enhances healthcare professionals' skills and knowledge, leading to better patient outcomes and increased access to healthcare, supporting SDG 3 (Good Health and Well-being). It also provides a safe and controlled environment for healthcare professionals to learn and practice essential skills, supporting SDG 4 (Quality Education).

Mammography is the gold standard for breast cancer screening and diagnostic imaging; however, there is an unmet clinical need for complementary methods to detect lesions not characterized by mammography. Far-infrared 'thermogram' breast imaging can map the skin temperature, and signal inversion with components analysis can be used to identify the mechanisms of thermal image generation of the vasculature using dynamic thermal data. This work focuses on using dynamic infrared breast imaging to identify the thermal response of the stationary vascular system and the physiologic vascular response to a temperature stimulus affected by vasomodulation. The recorded data is analyzed by converting the diffusive heat propagation into a virtual wave and identifying the reflection using component analysis. Clear images of passive thermal reflection and thermal response to vasomodulation were obtained. Validation of this proposed paradigm through further clinical exploration may demonstrate clinical utility for the IR modality in diagnostic imaging, offering a potential solution to the current unmet clinical need.

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.

Virtual reality experiences are frequently created using game engines, yet they are not simple for novices and unskilled professionals who don’t have programming and 3D modeling skills. Concurrently, there is a knowledge gap in software project design for intuitive virtual reality authoring tools, which were supposed to be easier to use. This work compiles design guidelines derived from a systematic literature review to contribute in the development of more intuitive virtual reality authoring tools. We searched the Scopus and Web of Science databases for works published between 2018 and 2021 and discovered 14 papers. We compiled 14 requirement and feature design guidelines, such as Visual Programming, Immersive Authoring, Reutilization, Sharing and Collaboration, Metaphors, and Movement Freedom, among others. The collected guidelines have the potential to either guide the development of new authoring tools or to evaluate the intuitiveness of existing tools. Furthermore, they can also support the development of the metaverse, since virtual content creation is one of its bases.

As the rate of discovery of new antibacterial compounds towards multidrug resistant bacteria is declining, there is an urge for the search of molecules that could revert this tendency. Acinetobacter baumannii has emerged as a highly virulent Gram-negative bacterium that has acquired multiple mechanisms against antibiotics and is considered of critical priority. In this work we developed a quantitative structure-property relationship (QSPR) model with 592 compounds for the identification of structural parameters related to their property as antibacterial agents against A. baumannii. QSPR mathematical validation (R2 = 70.27, RN = -0.008, aR2 = 0.014 and δK = 0.021) and its prediction ability (Q2LMO= 67.89, Q2EXT = 67.75, a(Q2)= -0.068, δQ = 0.0, rm2 = 0.229, and ∆rm2 = 0.522) were obtained with different statistical parameters; additional validation jobs were done using three sets of external molecules (R2 = 72.89, 71.64 and 71.56). We used the QSPR model to perform a virtual screening on the BIOFACQUIM natural product database. From this screening our model showed that molecules 32 to 35 and 54 to 68, isolated from different extracts of plants of the Ipomoea sp., are potential antibacterial against A. baumannii. Furthermore, biological assays showed that molecules 56 and 60 to 64 have a wide antibacterial activity against clinical isolated strains of A. baumannii, as well as other multidrug resistant bacteria including Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia, and Pseudomonas aeruginosa. Finally, we propose 60 as a potential lead compound due to its broad-spectrum activity and its structural simplicity. Therefore, our QSPR model can be used as a tool for the investigation and search of new antibacterial compounds against A. baumannii.

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.

Background: This study explored the effects of a virtual reality exercise program on overweight middle-aged women. Methods: This randomized controlled trial included women 4065 years of age with a body mass index (BMI) of 23 kg/m2 or more living in D city. The virtual reality environment was set up by attaching an IoT sensor to an indoor bicycle and linking it with a smartphone, enabling exercise in an immersive virtual reality through a head-mounted display. Results: In the virtual reality exercise group, the BMI was significantly decreased after the 8-week intervention compared with the baseline value (F=100.806, p<.001). The depression scores were significantly different among the three groups, with the intervention effect being more significant in the virtual reality exercise group than in the indoor bicycle exercise and con-trol groups (F=3.462, p<.001). Furthermore, the levels of exercise fun (F=12.373, p<.001) and exer-cise immersion (F=14.629, p<.001) were significantly higher in the virtual reality exercise group than in the indoor bicycle exercise and control groups. Conclusions: The virtual reality exercise program positively affected the BMI and the levels of depression, exercise fun, and exercise im-mersion in overweight middle-aged women. It is an effective home exercise program for obesity management in this population.

In music, the role of the interpreter is to play her/his part manipulating the performance parameters in order to offer a sonic rendition of the piece capable of conveying specific expressive intentions. Since the 1980s there has been a growing interest in computational expressive music performance (EMP). This research field has two fundamental objectives: the understanding of the phenomenon of human musical interpretation and the automatic generation of expressive performances. Rule based, statistical, machine and deep learning approaches have been proposed, most of them devoted to the classical repertoire, in particular to piano pieces. On the contrary, we present an introduction to the role of expressive performance within popular music and to the contemporary ecology of pop music production, based on the use of Digital Audio Workstations (DAWs) and virtual instruments. After an analysis of the tools related to expressiveness commonly available to modern producers we propose a detailed survey of research into the computational EMP field, highlighting the potential and limits of what is present in literature with respect to the context of popular music, which by its nature cannot be completely superimposed on the classical one. In the concluding discussion we suggest possible lines of future research in the field of computational expressiveness applied to pop music.

Simulation-based education is a part of Intelligent Transportation Systems (ITS) education. The paper discusses the experimental success of using Virtual Reality (VR) technology in simulation-based ITS education to improve the quality of education while increasing immersion and motivation. The study documents the application of VR technology to a microscopic simulation model and the methodology to capture and evaluate student experiences. The study discusses findings and ways to improve the planned VR technology implementation in the ITS laboratory.

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.

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.

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.

Background Bone fracture fixation surgery is one of the most commonly performed surgical procedures in the orthopedic field. However, fracture healing complications occur frequently, and the choice of the most optimal surgical approach often remains challenging. In the last years, computational tools have been developed with the aim to assist preoperative planning procedures of bone fracture fixation surgery. Objectives The aims of this review are (1) to provide a comprehensive overview of the state-of-the-art in computer-assisted preoperative planning of bone fracture fixation surgery, (2) to assess the clinical feasibility of the existing virtual planning approaches, and (3) to assess their clinical efficacy in terms of clinical outcomes as compared to conventional planning methods. Methods A literature search was performed in the MEDLINE-PubMed, Ovid-EMBASE, Ovid-EMCARE, Web of Science, and Cochrane libraries to identify articles reporting on the clinical use of computer-assisted preoperative planning of bone fracture fixation. Results 79 articles were included to provide an overview of the state-of-the art in virtual planning. While patient-specific geometrical model construction, virtual bone fracture reduction, and virtual fixation planning are routinely applied in virtual planning, biomechanical analysis is rarely included in the planning framework. 21 of the included studies were used to assess the feasibility and efficacy of computer-assisted planning methods. The reported total mean planning duration ranged from 22 to 258 minutes in different studies. Computer-assisted planning resulted in reduced operation time (Standardized Mean Difference (SMD): -2.19; 95% Confidence Interval (CI): -2.87, -1.50), less blood loss (SMD: -1.99; 95% CI: -2.75, -1.24), decreased frequency of fluoroscopy (SMD: -2.18; 95% CI: -2.74, -1.61), shortened fracture healing times (SMD:-0.51; 95% CI: -0.97, -0.05) and less postoperative complications (Risk Ratio (RR): 0.64, 95% CI: 0.46, 0.90). No significant differences were found in hospitalization duration. Some studies reported improvements in reduction quality and functional outcomes but these results were not pooled for meta-analysis, since the reported outcome measures were too heterogeneous. Conclusions Current computer-assisted planning approaches are feasible to be used in clinical practice and have been shown to improve clinical outcomes. Including biomechanical analysis into the framework has the potential to further improve clinical outcome.

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.

Horse riding therapy, also known as hippotherapy, is a popular treatment for children with cerebral palsy (CP). However, the need for trained therapists, massive land use, and expensive maintenance of the horse ranch makes hippotherapy not affordable or even available for most patients in Indonesia. This problem motivates us to consider mechanical horse riding simulator machines to replace actual horse hippotherapy. However, most patients are children and are easily bored when asked to do monotonous activities for an extended period. The room setting also does not give the patient visual inputs that usually help motivates the children in real-horse hippotherapy activities. To solve this problem, we designed an exercise game (exergaming) software which we named \textit{Sirkus Apel}, providing the patients with fun activities while doing the therapy. We also design an inertial sensor-based controller that lets the patients control the in-game horse by their back movements, which also benefits CP patients. To make the visual input enjoyable to the user while also considering the user's safety, we built a convex mirror-based dome virtual reality to provide an immersive 3-D experience. We then project the game content to the dome to provide an immersive experience to the patients making it as if they are riding a real horse inside the game.

This paper presents a modular approach to generic exergame design that combines custom physical exercises in a meaningful and motivating story. This aims to provide a tool that can be individually tailored and adapted to people with different needs, making it applicable to different diseases and states of disease. The game is based on motion capturing and integrates four example exercises that can be configured via our therapeutic web platform "Blexer-med". To prove the feasibility for a wide range of different users, evaluation tests were performed on 14 patients with various types and degrees of neuromuscular disorders, classified into three groups based on strength and autonomy. Users were free to choose their schedule and frequency. Game scores and three surveys (before, during, and after the intervention) showed similar experiences for all groups, with the most vulnerable having the most fun and satisfaction. The players were motivated by the story and by achieving high scores. The average usage time was 2.5 times per week, 20 minutes per session. Pure exercise time was about half the game time. The concept has proven feasible and forms a reasonable basis for further developments. The full 3D exercise needs further fine-tuning to enhance fun and motivation.

The eugenol derivative, ethyl 4-(2-methoxy-4-(oxiran-2-ylmethyl)phenoxy)butanoate 1, with promising insecticidal capability was encapsulated in liposomal formulations of egg-phosphatidylcholine/cholesterol (Egg-PC:Ch) 70:30 and of 100% dioleoylphosphatidylglycerol (DOPG). Compound-loaded Egg-PC:Ch liposomes exhibit small hydrodynamic diameters (below 100 nm), high encapsulation efficiency (88.8% ± 2.7%), higher stability and a more efficient compound release, being chosen for assays in Sf9 insect cells. Compound 1 elicited a loss of cell viability up to 80% after 72h of incubation. Relevantly, encapsulation maintained the toxicity of compound 1 towards insect cells, while it lowered toxicity towards human cells, thus showing the selectivity of the system. Structure based inverted virtual screening was used to predict the most likely targets and molecular dynamics simulations and free energy calculations were used to demonstrate that this molecule can form a stable complex with insect odorant binding proteins and/or acetylcholinesterase.

Spectrometers have a wide range of applications ranging from optical to non-optical spectroscopy. The need for compact, portable, and user-friendly spectrometers has been the pivot of attention from small laboratories to the industrial scale. Here, the Czerny Turner configuration-based optical spectrometer simulation design is carried out using ZEMAX OpticStudio. A compact and low-cost optical spectrometer in the visible range has been developed by using diffraction grating as a dispersive element and USB-type WebCAM CCD (Charge-coupled device) as a detector instead of an expensive commercial diffraction grating and detector. Using National Instruments LabVIEW, data acquisition, processing, and displaying techniques are made possible. We have employed different virtual images in LabVIEW programs to collect the pixel-to-pixel information and wavelength-intensity information from the image captured using the WebCAM CCD. Finally, we have shown that the OpticStudio-based spectrometer and experimental measurements of the developed spectrometer are in good agreement.

Background: Immersive therapy through virtual reality represents a novel strategy used in psychological interventions, but there is still a need to strengthen the evidence on its effects on health professionals’ mental health. Objective: To analyze the results of immersive therapy through virtual reality in the levels of anxiety and secondly, well-being of the health professionals working in a regional hospital in Olot (Spain). Methods: Pilot quasi-experimental study including a group of 35 women (mean age=45.7, SD=8.43) health professionals who undertook immersive therapy for 8 weeks. The intervention was implemented through virtual reality, and its effect on anxiety levels and well-being was evaluated through the Hamilton and Eudemon scales, respectively. Data on age, gender, active pharmacological or psychological treatment, mental health disorders and number of sessions were also collected. Results: Statistically significant (p<0.001) improvement in anxiety and well-being was found, with large and moderate effect sizes (0.90 and 0.63 respectively). In addition, these changes were clinically significant. No significant associations were found between the improvements and the different variables, but a greater trend was identified among the group of professionals with untreated or unidentified levels of anxiety. Conclusion: This group of health professionals showed statistically and clinically significant improvement in anxiety and well-being after the application of immersive therapy using virtual reality. Further studies with a control group are necessary to further analyze this novel intervention.

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.

The dark energy from virtual gravitons is consistent with observational data on supernova with the same accuracy as the CDM model. The fact that virtual gravitons are capable of producing of a de Sitter accelerated expansion of the FLRW universe was established in 2008 (see references). The combination of conformal non–invariance with zero rest mass of gravitons (unique properties of the gravitational field) leads to the appearance of graviton dark energy in a mater-dominated era. Тhis fact explains the relatively recent appearance of the dark energy and answers the question “Why now?”. The transition redshifts (where deceleration is replaced by acceleration) that follow from the graviton theory are consistent with model independent transition redshifts derived from observational data. Prospects for testing the GCDM model (the graviton model of dark energy where G stands for gravitons) and comparison with the CDM model are discussed.

Previous research has either neglected to consider misbehaviour or misconduct in the virtual workplace during the current COVID-19 pandemic or highlighted some challenges encountered with remote working or work from home but in isolation, e.g., misbehaviours or ethical concerns associated with improper use of technology when accessing clients’ confidential information, without understanding their aetiology and context in a holistic manner. This has impacted the ability of existing research in providing recommendations organisations can practically implement to improve the sustainability and productivity of the virtual workplace, especially as they seek to navigate the current pandemic and prepare for the global business environment in the next decade. Instead, this study, for the first time, proposes a novel holistic methodology to identify the aetiologies of ethical and performance challenges with focus to the Information Technology consulting sector, as well as developing a set of recommendations companies can adopt to manage such behavioural and productivity challenges. Thus, this study illustrates the key issues associated with remote working implemented to respond to the current COVID-19 pandemic, which mine not only the individual performance in an organisation but also its overall productivity, as well as suggests the main performance and reward management strategies that can be leveraged to mitigate them. Tailored strategies are described and discussed as referred to this industry to help in navigating a more unstable yet competitive market to manage the virtual employees’ misbehaviours in the workplace and drive growth for individuals and organisations alike.

The use of games for non-ludic purposes, the serious games, is an interesting branch of science that has shown important results. With the advent of the pandemic that has made access to rehabilitation centres more problematic for patients with cognitive rehabilitation needs, the importance of being able to exercise these patients safely in their own homes has emerged strongly. Many studies show that immediate action and appropriate, specific rehabilitation can guarantee satisfactory results. Appropriate therapy is based on key factors to be taken into account such as frequency, intensity and specificity of the exercises. The aim of our work is to define a pathway for the creation of open source digital products that can allow access in any moment to a virtual environment through which patients who have suffered limitations in their cognitive abilities can exercise and recover all or part of these abilities in the shortest possible time. In view of the spread of IoT devices capable of easily monitoring various vital parameters, we propose with our system a low-cost and very efficient solution that can provide the doctor and therapist not only with quantitative data on the exercises performed (number and type of exercises, time spent, results obtained) but also an overview of vital parameters, so as to observe any states of agitation or excessive effort in completing the exercise.

Reducing office buildings’ energy consumption can contribute significantly towards carbon reduction commitments since it represents 10% of total energy consumption. Major components are lighting (40% of consumption), electrical equipment (35%), and heating and central cooling systems (25\%). Occupants’ behaviours impact these energy consumption components, with solid evidence on the role of individual behaviours. In this work, we propose a methodology that uses virtual choreographies to identify and prioritize behaviour-change interventions towards office users based on the potential impact on energy consumption. The data shows that some behaviours with significant consumption have little potential for behavioural change impact, while other behaviours hold substantial potential for lowering energy consumption via behavioural change.

Objectives: As institutions modified medical practices to mitigate the spread of the SARS-CoV-2 virus, providers were forced to modify care through the implementation of telemedicine. The objective of this article is to review the current practices of otolaryngology during the COVID-19 pandemic and the limitations of telemedicine in current practice. Methods: A thorough review of the PubMed and MEDLINE databases was performed for publications between 2020 and 2021. Studies discussing telemedicine in otolaryngology during COVID-19 pandemic were selected. Results: As worldwide cases of COVID-19 continue to oscillate, we must continue to be vigilant in our clinical practice, implementing safe techniques to mitigate the spread of the SARS-CoV-2 virus through the continual use of telemedicine in all specialties of otolaryngology. Trends of increased patient acceptance of the use of telemedicine have been seen across subspecialities, including otolaryngology. Conclusion: Currently there are challenges associated with the implementation of telemedicine in the field of otolaryngology that rely heavily on adjunct physical examination, imaging studies, and specialty procedures. However, telemedicine has tremendous potential and can be adapted to include in the otolaryngologist’s toolbelt during public health emergencies such as the COVID-19 pandemic.

The Covid-19 pandemic caused a shift in teaching practice towards blended learning for many Higher Education institutions. This led to the rapid adoption of certain digital technologies within existing teaching structures as a means to meet student access needs and facilitate learning. Integration of these technologies caused numerous challenges for practitioners and often provided mixed results. This paper is an attempt to summarise and extend pre-Covid pedagogical research to leverage digital immersive technologies for blended teaching in the post-pandemic era. Focus is given towards the evolution of Virtual Learning Environments through elements of immersive audio-visual technologies, which are shown to be effective when coupled in a blended approach. It is both a review of these methodologies and a case study of the I-Ulysses: Virtual Learning Environment as a point of comparison for evaluating the review.

The Virtual Blade Model (VBM) is the implementation of the Blade element model (BEM). This was done by coupling the Blade Element Momentum theory equations to simulate rotor operation with the Reynolds Averaged Navier-Stokes (RANS) equation to simulate rotor wake and the turbulent flow field around it. Exclusion of actual geometry of blades causes lower computational cost (about 10 to 100 times). Also, due to simplifications in the meshing procedure, VBM is easier to set up than the models that consider the actual geometry of blades. One of the main unaddressed limitations of the VBM code was the constraint of modeling up to ten rotor zones within one computational domain. This paper provides a detailed and well-documented general methodology to develop a virtual blade model for simulation of ten-plus turbines within one computational domain to remove the limitation of this widely used and robust code. It is strongly believed that the technical contribution of this paper, combined with the current sky-rocketing advancement of available computational resources and hardware, would open the gates to simulate various engineering problems in the field of aerospace, clean energy, and many more.

In the contemporary business world, digital transformations have undergone vast and important developments over the last several decades, and they have aided in the development of the virtual team concept, in which geographically dispersed team members work to achieve a common goal. Virtual teams, according to the literature, suffer from process losses more frequently than their face-to-face counterparts. Although just a few studies have looked at the effects of individual differences in virtual teams, this study fills in the gaps by examining the impact of individual differences: Age Disparity (AD), Gender Disparity (GD), Language Competency (LC), and IT Competency (ITC) in management perspective on virtual team adaptation in the Sri Lankan private sector. A survey was used to collect data from a sample of 175 private sector companies in Sri Lanka during the COVID- 19 pandemic, and the data was analyzed using partial least squares path modeling (PLS) to test the study's hypotheses. The results indicated that the hypotheses were statistically significant only in the language competency and IT competency and their effects were in the expected direction. Future research could benefit from perceptions of employees in public sector organizations.

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.

Resistance to Pyrimethamine, an antimalarial medicine has been reported to be due to mutations in Dihydrofolate reductase-thymidylate synthase (DHFR-TS). Phytochemicals, particularly from plants that been used in ethnomedicine, have been reported to have privileged structures that might bind strongly to the mutants of DHFR-TS. The aim of this study is to identify phytochemicals of Acalypha wilkesiana, Cymbopogon citratus, Azadirachta indica, and Morinda lucida with high binding affinities for the Plasmodium falciparum DHFR-TS. The three-dimensional structures of the phytochemicals, wide type and mutant forms of DHTR-TS were obtained from PubChem and Protein Databank (PDB) respectively. They were appropriately prepared and molecular docking simulations was implemented to predict binding affinities of the phytochemicals to the wildtype and mutant forms of DHTR-TS. Druglikeness assessment was implemented to triage the top binding phytochemicals and molecular dynamics simulations was done to establish the stability of the interaction of the top-ranked phytochemical with one of the mutants of DHFR-TS. Nineteen phytochemicals showed higher binding affinities to both the wild type and mutant forms DHFR-TS than Pyrimethamine. Molecular dynamics revealed that the receptor-ligand binding of luteolin, the top-ranked, drug like phytochemicals, to the quadruple mutant was stable.

Virtual reality (VR) technology gains theoretical support from rehabilitation and pedagogical theories and offers a variety of capabilities in educational and interventional contexts with affordable products. VR is attracting increasing attention in the medical and healthcare industry as it provides fully interactive three-dimensional simulations of real-world settings and social situations, which are particularly suitable for cognitive and performance training including social and interaction skills. The worldwide rising trend in the prevalence of autism spectrum disorder calls for innovative and efficacious techniques for assessment and treatment. The article offers a summary of current perspectives and evidence-based applications of VR technology as an educational and intervention tool for individuals with autism spectrum disorder, with a primary focus on social communication including social functioning, emotion recognition, and speech and language. Technology- and design-related limitations as well as the disputes over the application of virtual reality to autism research and therapy are discussed and future directions of this emerging field are highlighted with regards to application expansion and improvement, technology enhancement, and the development of brain-based research and theoretical models.

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.

During the COVID-19 pandemic, conducting face-to-face medical residency interviews was challenging due to infection prevention precautions, social distancing and travel restrictions. Virtual interviews were implemented by the Saudi Commission for Health Specialties (SCFHS) as an alternative process for residency matching while striving to maintain the same quality standards. This national survey was conducted to assess the satisfaction and perceptions of faculty members’ virtual interviews performance in the assessment for the medical training residency programs. Among the participating 173 faculty members (34.1%) did not have previous experience with video-conferencing. Zoom application was the most commonly used platform (65.9%). Most (89.6%) of the faculty perceived virtual interviews as “adequate” for the candidates to express themselves, while almost half of the faculty (53.8%) agreed that virtual interviews allowed them to accurately reach an impression about the candidates. Overall, 73.4% of faculty felt comfortable ranking the virtually interviewed candidates. We conclude that the acceptance of participating faculty members in the first Saudi medical residency training matching cycle virtual interviewing event was well perceived. This study provides evidence for future application and research of virtual interviews in residency candidates' assessment, especially after the pandemic crisis resolves.

This paper provides a methodology for the production of synthetic images for training neural networks to recognise shapes and objects. There are many scenarios in which it is difficult, expensive and even dangerous to produce a set of images that is satisfactory for the training of a neural network. The development of 3D modelling software has nowadays reached such a level of realism and ease of use that it seemed natural to explore this innovative path and to give an answer regarding the reliability of this method that bases the training of the neural network on synthetic images. The results obtained in the two proposed use cases, that of the recognition of a pictorial style and that of the recognition of migrants at sea, leads us to support the validity of the approach, provided that the work is conducted in a very scrupulous and rigorous manner, exploiting the full potential of the modelling software. The code produced, which automatically generates the transformations necessary for the data augmentation of each image, and the generation of random environmental conditions in the case of Blender and Unity3D software, is available under the GPL licence on GitHub. The results obtained lead us to affirm that through the good practices presented in the article, we have defined a simple, reliable, economic and safe method to feed the training phase of a neural network dedicated to the recognition of objects and features, to be applied to various contexts.

Nowadays, information security is a challenge especially when transmitted or shared in public clouds. Many of researchers have been proposed technique which fails to provide data integrity, security, authentication and another issue related to sensitivity data. The most common techniques were used to protect data during transmission on public cloud are cryptography, steganography, and compression. The proposed scheme suggests an entirely new approach for data security on public cloud. Authors have suggested an entirely new approach that completely makes secret data invisible behind carrier object and it is not been detected with the image performance parameters like PSNR, MSE, entropy and others. The details of results are explain in result section of paper. Proposed technique have better outcome than any other existing technique as a security mechanism on a public cloud. Primary focus of suggested approach is to minimize integrity loss of public storage data due to unrestricted access rights by uses. To improve reusability of carrier even after data concealed is really a challenging task and achieved through suggested approach.

The efficacy of the product development process is measured by the ability to launch a project with product and production process specifications that could guarantee that the manufacturing can produce it with the least impact. If a problem is detected late, they bring consequences beyond the high cost of the solution, if related to physical ergonomics, which will influence the well-being of operators, productivity, and quality. Virtual Reality (VR) and Digital Human Modeling (DHM) are ones of the enabling technologies of Industry 4.0 and has already been applied on a large scale in industries such as automotive, construction, and aeronautics. However, even though the huge applications, these technologies are not yet applied by these industries for the analysis of physical ergonomics during product development phases. This study aims to characterize the state of the art and technology about the application of Virtual Reality and Digital Human Modeling for the physical ergonomics analysis in the during product development phases in the industry through a systematic review of the literature and patents. In patent documents recovery, we used Derwent Innovation database. The research is based on searching the selected terms in the title, summary, and claims of the documents through a search strategy containing IPC code and keywords. In articles recovery, we searched ScienceDirect, Springer, and IEEExplore databases for scientific publications. The search resulted in 311 patents documents and 16 articles in the scientific database. This study analyzed the patents to map out the technological progress in this area, where we found in the charts and data an increasing number of publications per year and a spread application with a considerable number of new technologies presented in these recent patents. The literature review indicated that Virtual Reality technology complements the Digital Human Modeling during physical ergonomics analysis for manufacturing process already designed. The majority of research on the use of VR and DHM technologies for physical ergonomics analysis focus on the automotive industry and the ergonomic assessment of workstations and current processes. Further research is needed to investigate how Virtual Reality and Digital Human Modeling might assist in the understanding of physical ergonomics in certain tasks throughout the product development process, such as the simulation of worker posture or effort when assembling parts.

In response to the COVID-19 pandemic, and resultant cancellation of geoscience fieldwork, as well as outstanding accessibility issues inherent in conducting fieldwork, we developed a virtual geological fieldtrip (VFT) to the Huronian age deposits in the Whitefish Falls area, Ontario, Canada. This region is a geologically significant site in which many Ontario universities conduct undergraduate teaching due to the high-quality exposures. In this contribution we describe and comment on the development of this openly available resource, the motivations in doing so, the challenges faced, its pedagogical impact and relevance, as well as provide suggestions to others in the development of such resources. Our multimedia VFT combines 360° imagery, georeferenced data on integrated maps, and multi-scale imagery (aerial/drone, outcrop, and thin section images). The VFT was built using the Esri Storymaps platform, and thus offers us the opportunity to review the effectiveness of building such resources using this medium, as well as our approach to doing so. We conclude that the Esri Storymaps platform provides a sound medium for the dissemination of multimedia VFTs, but that some aspects of in-person fieldwork remain hard to replicate. Most notably, ‘hands on experience’ and specific activities such as geological mapping. In addition, while VFTs alleviate some accessibility barriers to geoscience fieldwork, substantial barriers remain that should remain the focus of both pedagogical and geoscience work.

Background: The COVID-19 pandemic has disproportionately affected people from more deprived communities. The experience of Long Covid is similarly distributed but very few investigations have concentrated on the needs of this population. The aim of this project was to co-produce an acceptable intervention for people with Long Covid, living in communities recognised as more deprived. Methods: The intervention was based on a multi-disciplinary team using approaches from sport and exercise medicine and functional rehabilitation. The co-production process was undertaken with a stakeholder advisory group and patient public involvement representation. This study identified participants by postcode and the indices of multiple deprivation (IMD); recruitment and engagement were supported by an existing health and wellbeing service. A virtual ‘clinic’ was offered with a team of professional practitioners who met participants three times each; to directly consider their needs and offer structured advice. The acceptability of the intervention was based on the individual’s participation and their completion of the intervention. Results: Ten participants were recruited with eight completing the intervention. The partnership with an existing community health and wellbeing service was deemed to be an important way of reaching participants. Two men and six women ages ranging from 38 to 73 were involved and their needs were commonly associated with fatigue, anxiety and depression with overall de-conditioning. None reported serious hardship associated with the pandemic although most were in self-employment/part-time employment or were not working due to retirement or ill-health. Two older participants lived alone, and others were single parents and had considerable challenges associated with managing a household alongside their Long Covid difficulties. Conclusions: This paper presents the needs and perspectives of eight individuals involved in the process and discusses the needs and preferences of the group in relation to their support for self- managed recovery from Long Covid.

Virtual screening - predicting which compounds within a specified compound library bind to a target molecule, typically a protein - is a fundamental task in the field of drug discovery. Doing virtual screening well provides tangible practical benefits, including reduced drug development costs, faster time to therapeutic viability, and fewer unforeseen side effects. As with most applied computational tasks, the algorithms currently used to perform virtual screening feature inherent tradeoffs between speed and accuracy. Furthermore, even theoretically rigorous, computationally intensive methods may fail to account for important effects relevant to whether a given compound will ultimately be usable as a drug. Here we investigate the virtual screening performance of the recently released Gnina molecular docking software, which uses deep convolutional networks to score protein-ligand structures. We find, on average, that Gnina outperforms conventional empirical scoring. The default scoring in Gnina outperforms the empirical AutoDock Vina scoring function on 89 of the 117 targets of the DUD-E and LIT-PCBA virtual screening benchmarks with a median 1% early enrichment factor that is more than twice that of Vina. However, we also find that issues of bias linger in these sets, even when not used directly to train models, and this bias obfuscates to what extent machine learning models are achieving their performance through a sophisticated interpretation of molecular interactions versus fitting to non-informative simplistic property distributions.

Virtual reality (VR) can play a key role in automotive marketing research, lowering costs and shortening the time it takes to bring a new product to market. However, there are still few VR applications that support automotive customers' experiences during the early stages of product development. Through a systematic review of literature and patents, this study aims to identify the challenges and opportunities for the application of virtual reality in car clinics, and to categorize them into attributes. We searched through the knowledge databases of PatentScout, ScienceDirect, Springer, and IEEEXplore. We found 72 patents with a high concentration in a few inventors. The United States of America presented the greatest number of records and the most common applications related to the apparatus for automatically reading respondents' reactions in a virtual environment. In terms of articles, we found 19 research papers that discussed sixteen categories identified as challenges and opportunities for automotive marketing research: 1) cost, 2) location to customers, 3) flexibility in interactions, 4) model transportation, 5) depth perception, 6) haptic perception, 7) motion, 8) movement perception/ physical collision, 9) color and texture, 10) sound feedback, 11) product interaction/manipulation, 12) visual-spatial, 13) graphic quality, 14) intuitiveness, 15) cybersecurity and 16) cybersickness. We conclude that the automotive industry can employ virtual reality for marketing research, but relevant elements such as hardware and software definition, stimulus quality, and research objectives, among others, must be considered.

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.

Background Augmented reality (AR) in surgery can offer an enhanced view of reality through the superimposition of computer-generated digital images on the real environment. It allows surgeons to integrate image visualisation, improving operative efficiency, surgical outcomes, surgical training and patient education. This review aims to evaluate the current status of augmented reality in surgery, surgical training and potential future applications. Methods We performed a non-systematic review of available literature from January 2005 to August 2021 by searching PubMed, EMBASE and the Cochrane library using a combination of terms “augmented reality”, “virtual reality”, “surgery”, “simulation” and “training”. Articles considered for this review were identified by relevant search criteria including title, keywords, abstract, and full-text. Conclusions AR technologies present an exciting new trend with multiple potential applications in surgery. Intraoperative AR systems have shown promise in specialties involving fine movement of organs during surgical procedures, including Neurosurgery, Ears, Nose and Throat and Orthopaedic Surgery. AR has also exhibited the potential to enhance surgical training and improve knowledge acquisition; it can foster international collaborations via telesurgery and telepresence. In the near future, AR will likely work in symbiosis with surgeons, serving as a complex computer-human coalition which can improve patient outcomes, patient education and surgical training.

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.

Distance learning has assumed a relevant role in the Educational scenario. The use of Virtual Learning Environments contributes to obtain a substantial amount of educational data. In this sense, the analyzed data generate knowledge used by institutions to assist managers and professors in strategic planning and teaching. The discovery of students’ behaviors enables a wide variety of intelligent services for assisting in the learning process. This article presents a literature review in order to identify the intelligent services applied in distance learning. The research covers the period from January 2010 to May 2021. The initial search found 1,316 articles, among which 51 were selected for further studies. Considering the selected articles, 33% (17/51) focus on learning systems, 35% (18/51) propose recommendation systems, 26% (13/51) approach predictive systems or models, and 6% (3/51) use assessment tools. This review allowed to observe that the principal services offered are recommendation systems and learning systems. In these services, the analysis of student profiles stands out to identify patterns of behavior, detect low performance and identify probabilities of dropouts from courses.

The intricate nature of congenital heart disease requires understanding of complex, patient-specific three-dimensional dynamic anatomy of the heart, from imaging data such as three-dimensional echocardiography for successful outcomes from surgical and interventional procedures. Conventional clinical systems use flat screens and therefore display remains two-dimensional, which undermines the full understanding of the three-dimensional dynamic data. Additionally, control of three-dimensional visualisation with two-dimensional tools is often difficult, so used only by imaging specialists. In this paper we describe a virtual reality system for immersive surgery planning using dynamic three-dimensional echocardiography, which enables fast prototyping for visualisation such as volume rendering, multi-planar reformatting, flow visualisation, and advanced interaction such as three-dimensional cropping, windowing, measurement, haptic feedback, automatic image orientation, and multi-user interactions. The available features were evaluated by imaging and non-imaging clinicians, showing that the virtual reality system can help improve understanding and communication of the three-dimensional echocardiography imaging and potentially benefit congenital heart disease treatment.

Augmented and Virtual Reality have been experiencing a rapidly growth in recent years, but there is not still a deep knowledge on their capabilities and where they could be explored. In that sense, this paper presents a study on the accuracy and repeatability of the Microsoft's HoloLens 2 (Augmented Reality device) and HTC Vive (Virtual Reality device) using an OptiTrack system as ground truth. For the HoloLens 2, the method used was hand tracking, while in HTC Vive, the object tracked was the system's hand controller. A series of tests in different scenarios and situations were performed to explore what could influence the measures. The HTC Vive obtained results in the millimetre scale, while the HoloLens 2 revealed not so accurate measures (around 2 centimetres). Although the difference can seem to be considerable, the fact that HoloLens 2 was tracking the user's hand and not an inherit controller made a huge impact. The results were considered a significant step for the on going project of developing a human-robot interface to program by demonstration an industrial robot using Extended Reality, which shows great potential to succeed based on this data.

Every (multimedia) service needs to be accessible. Accessibility for multimedia content is typically provided by means of access services, of which subtitling is likely the most widespread one. Up to date, many recommendations and solutions for subtitling classical 2D audiovisual services are available. Likewise, recent efforts have been devoted to devising adequate subtitling solutions for VR360 video content. This paper, for the first time, goes a step beyond, by exploring two key requirements to fulfill remaining challenges towards efficiently subtitling 3D Virtual Reality (VR) content: presentation modes, and guiding methods. By leveraging insights from earlier work on VR360 content, the paper proposes novel presentation modes and guiding methods to not only deal with the freedom to explore the omnidirectional scenes, but also with additional specificities of 3D VR compared to VR360 content: depth, 6 Degrees of Freedom (6DoF), and viewing perspectives. The obtained results prove that always-visible and a novel proposed comic-style presentation mode are far more appropriate than state-of-the-art fixed-positioned subtitles, mainly in terms of immersion, ease and comfort of reading, and identification of speakers, when applied to professional pieces of content with limited displacement of speakers and with limited 6DoF (i.e. users are not expected to largely navigate around the virtual environment). Likewise, even in such limited movement scenarios, the results show that the use of indicators (arrows), as guiding methods, is well received. Overall, the paper provides relevant insights and paves the way toward efficiently subtitling 3D VR content.

In this work antiparasitic peptidomimetics inhibitors (PEP) of falcipain-3 (FP3) of Plasmodium falciparum (Pf) have been proposed using structure-based and computer-aided molecular design. Beginning with the crystal structure of PfFP3-K11017 complex (PDB ID: 3BWK), three-dimensional (3D) models of FP3-PEPx complexes with known activities (IC50exp) were prepared by in situ modification, based on molecular mechanics and implicit solvation to compute Gibbs free energies (GFE) of inhibitor-FP3 complex formation. This resulted in a quantitative structure-activity relationships (QSAR) model based on a linear correlation between computed GFE (ΔΔGcomp) and the experimentally measured IC50exp: (pIC50exp=-(IC50exp/109) =-0.4517×∆∆Gcomp+4.0865 ; R2 = 0.89). Apart from the structure-based relationship, a ligand-based quantitative pharmacophore model (PH4) of novel PEP analogs where substitutions were directed by comparative analysis of the active site interactions was derived using the proposed bound conformations of the PEPx. This provided structural information useful for the design of virtual combinatorial libraries (VL), which was virtually screened based on the 3D-QSAR PH4. The end results were predictory inhibitory activities falling within the low nanomolar concentration range.

Virtual Reality(VR) is an emerging technology with a broad range of application in training, entertainment, and business. To maximize the potentials of virtual reality as a medium, the unwelcome feeling of simulation sickness needs to be minimized. Even with advancements in VR, the usability concerns are barriers for a wide-spread acceptance. Several factors (hardware, software, human) play a part towards a pleasant VR experience. The reviewed scientific articles are mostly part of documents indexed in digital libraries. In this paper, we review the potential factors which cause simulation sickness and minimize the usability of virtual reality systems. We review the best practices from a developer’s perspective and some of the safety measures a user must follow while using the VR systems from existing research. Even after following some of the guidelines and best practices VR environments do not guarantee a pleasant experience for users. Limited research in VR environments towards requirement specification, design, and development for maximum usability and adaptability was the main motive for this work.

The Covid-19 pandemic has resulted in the closure of schools at every level, globally, forcing education to move online. Meeting the needs of students online for Science Lab classes, in particular, is a challenge since the physical labs are not available to the teachers or students. OLabs is a virtual Science Lab providing a complete learning environment of theory, experimental procedures, videos, animations, simulations, and assessments that capture real lab experiences with the relevant pedagogy. This study looks at the acquisition and behaviors of users, on the OLabs platform, during pre and Covid-19 times. Using Google Analytics, we observe that, during the pandemic time, users increasingly adopted OLabs as a new learning pedagogy for performing experiments as indicated by parameters like the number of users; the number of unique pages viewed per session; time spent on viewing content; bounce rate; and preference for content types such as theory, simulations, videos, and animations.

Concrete is a heterogeneous material with a disordered material morphology that strongly governs the behavior of the material. In this contribution, we present a computational tool called the Concrete Mesostructure Generator (CMG) for the generation of ultra-realistic virtual concrete morphologies for mesoscale and multiscale computational modeling and simulation of concrete. Given an aggregate size distribution, realistic generic concrete aggregates are generated by a sequential reduction of a cuboid to generate a polyhedron with multiple faces. Thereafter, concave depressions are introduced in the polyhedron using gaussian surfaces. The generated aggregates are assembled into the mesostructure using a hierarchic random sequential adsorption algorithm. The virtual mesostructures are first calibrated using laboratory measurements of aggregate distributions. The model is validated by comparing the elastic properties obtained from laboratory testing of concrete specimens with the elastic properties obtained using computational homogenisation of virtual concrete mesostructures. Finally, a 3D-convolutional neural network is trained to directly generate elastic properties from voxel data.

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.

Due to the unanticipated, forced migration of classroom activities to a fully remote format because of the coronavirus pandemic, there is a critical need for progress in the online education system. Not only that, but online education is the way of the future, and its infrastructure must be enhanced for teaching and learning to be effective. Engaging the students and enhancing their focus is one of the major concerns in the current video calling-based system. In this research, we propose a VR and AR-based virtual classroom environment system called "Edu VR" which encourages students to learn with a high level of involvement and attentiveness. We have divided the system into 2 distinct categories. one amongst which incorporates the virtual reality classroom, wherever the students can have a similar feel of actual school with peer-to-peer-based interactions and student-to-teacher interactions with Unity3D. We are able to conjointly deploy AR models with Vuforia, which permits the teachers to take classes more efficiently with student’s engagement. The other category involves the AI-based classroom assessment system, which enables teachers to produce assessments, which in turn are proctored by Artificial Intelligence. The results are automatically sent to the student within a short period, with the assistance of text similarity analysis for evaluating the answer scripts with Machine learning. This approach solves the drawbacks of video call-based systems with enhanced focus and engagement.

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.

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.

Visualization has always been a crucial part of the educational process. Implementing computer algorithms and virtual reality tools into it is vital for the new generation engineers, scientists and researchers. In the field of chemistry education, various software that allow dynamic molecular building and viewing are currently available. These software are now used to enhance the learning process and ensure better understanding of the chemical processes from the visual perspective. The present short communication provides a summary of these applications based on the NarupaXR program, which is a great educational tool that combines the functionality and simple design necessary for an educational tool. NarupaXR is used with a companion application “Narupa Builder'' which requires a different file format, therefore a converter that allows a simple transition between the two extensions has been developed. The converter sufficiently increases the efficiency of the educational process. The automatic converter is freely available on GitLab (https://gitlab.com/teamSCAMT/converter_mol2_to_xml). The current communication provides detailed written instructions that can simplify the installation process of the converter and facilitate the use of both the software and the hardware of the VR set.

The concept of using eye-tracking in virtual reality for education has been researched in various fields over the past years. With this review, we aim to discuss the recent advancements and applications in this area, explain the technological aspects, highlight the advantages of this approach and inspire interest in the field. Eye-tracking has already been used in science for many decades and now has been substantially reinforced by the addition of virtual and augmented reality technologies. The first part of the review is a general overview of eye-tracking concepts and its applications. In the second part, the focus shifted towards application of eye-tracking in virtual reality. The third part is the description of the recently emerged concept of eye-tracking in virtual reality when applied to education and studying, which has not been thoroughly described before. We describe the main findings, technological aspects and advantages of this approach.

Virtual reality (VR) describes a family of technologies which immerse users in sensorily-stimulating virtual environments. Such technologies have increasingly found applications in the treatment of neurological and mental health disorders. Depression, anxiety, and other mood abnormalities are of concern in the growing elderly population – especially those who reside in long-term care facilities (LTCFs). The transition from the familiar home environment to the foreign LTCF introduces a number of stressors that can precipitate depression. However, recent studies reveal that VR therapy (VRT) can promote positive emotionality and improve cognitive abilities in the elderly, both at home and in LTCFs. VR thus holds potential in allowing elderly individuals to gradually adapt to their new environments – thereby mitigating the detrimental effects of place attachment and social exclusion. Nevertheless, while the current psychological literature is promising, the implementation of VR in LTCFs faces many challenges. LTCF residents must gain trust in VR technologies, care providers require training to maximize the positive effects of VRT, and decision makers must evaluate both the opportunities and obstacles in adopting VR. Here, we concisely review the implications of depression related to place attachment in LTCFs, and explore the potential therapeutic applications of VR.

The efficiency of performance in various sports has the development of certain specific skills at its core. In ice hockey, both the technical aspects (techniques, stance) and the cognitive ones (keeping attention on the puck, game strategy, etc.) are highly important. This study is aimed at the identification of specific features that determine the performance efficiency of professional hockey players. We used virtual reality (VR) to study the differences between professional ice hockey players and novices in terms of motor responses to the puck’s presentation on different levels of difficulty. The study involved 22 participants, 13 of them being professional ice hockey players (M_age=20±2.9; mean age of training experience М=14.18±3.8) and 9 being not experienced participants (M_age=20±1.4). The study showed that the stick response time of professional hockey players is significantly higher (0.98 ms vs 1.5 ms, p≤0.05) in more difficult situations close to a real game. Moreover, professionals proved to have more stable movement patterns of the knee and hip joints. They also make fewer head movements as a response to stimuli during all runs (0.66 vs 1.25, p≤0.05). Therefore, the results indicate specific spatial-temporal, technical and tactical, and energetic determinants, that ensure higher performance efficiency in hockey players

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.

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 &lt; .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.

This paper explores benefits of using VR technologies in higher education. Theoretical part investigates classical education system and its features in order to compare advantages of using VR systems in education. VR technologies and its current state in industry and in education were explored as well as which branches of higher education uses these systems. Survey was conducted through online questionnaire where respondents (N = 55) gave their opinion on VR and the implementation of VR technologies in education. Three hypotheses related to the use of VR technology, student interest, and learning outcomes as well as the effectiveness, immersiveness and the effect of VR systems on the users were tested through 27 questions.

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.

TThe XPRIZE Foundation designs and operates multi-million-dollar, global competitions to incentivize the development of technological breakthroughs that accelerate humanity toward a better future. To combat the COVID-19 pandemic, the Foundation coordinated with several organizations to make available data sets about different facets of the disease and to provide the computational resources needed to analyze those data sets. This is paper is a case study of the requirements, design, and implementation of the XPRIZE Data Collaborative, a cloud-based infrastructure that enables the XPRIZE to meet its COVID-19 mission and host future data-centric competitions. We examine how a Cloud Native Application can use an unexpected variety of Cloud technologies, ranging from containers, serverless computing, to even older ones like Virtual Machines. We also search and document the effects that the pandemic had on application development in the Cloud. We include our experiences of having users successfully exercise the Data Collaborative, detailing the challenges encountered and areas for improvement and future work.

Social isolation magnified by the restriction of movement order during the COVID-19 pandemic may lead to negative psychosocial health impact among community-dwelling older adults. We evaluated the feasibility of virtual research methods and virtual group exercises among individuals aged 60 years and over in Malaysia. Participants were recruited from the Promoting Independence in Seniors with Arthritis (PISA) pilot cohort through social media messages. A four-week course of virtual group exercise was offered. Anxiety and depression were assessed with the Hospital Anxiety and Depression Scale (HADS) during the last attended follow-up of the cohort study (pre-pandemic), pre-intervention, and post-intervention. Exercise adherence was recorded using diary with daily entries and attendance to the virtual group exercise sessions were captured daily. The outcomes of interest were changes of anxiety and depression scores from baseline to pre-intervention (pandemic-related) and post-intervention (virtual exercise related). Forty-three individuals were recruited. A significant increase in anxiety scores from baseline to pre-intervention was observed. Comparisons using repeated-measures analysis of variance between those who attendance ≥14 and &lt;14 group exercise sessions revealed no between-within subjects differences in depression scores. There was a 23% dropout rate in the post intervention survey and 60.5% of diaries were returned. This study demonstrated the feasibility of conducting research entirely virtually among older persons during the peak of global first wave of a pandemic. The pandemic has led to increased anxiety among community-dwelling older adults.

Technological advances made Virtual and Mixed Reality (VMR) accessible at our fingertips. However, only recently VMR has been explored for the teaching of biology. Here, we highlight how VMR applications can be useful in biology education, discuss about caveats related to VMR use that can interfere with learning, and look into the future of VMR applications in the field. We then propose that the combination of VMR with Machine Learning and Artificial Intelligence can provide unprecedented ways to visualise how species evolve in self-sustained immersive virtual worlds, thereby transforming VMR from an educational tool to the centre of biological interest.

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.

Sometimes a pavement deflects only because of seasonal volume change of expansive soils in the pavement subgrade. Engineering practitioners expect an implementable and straightforward analysis method for a geosynthetic-reinforced pavement subjected to the swelling/shrinkage issue of expansive clayey subgrade, in an effort to find the bending moment, shear force and tension force distributions through the reinforced pavement, which are induced from the volumetric changes of subgrade soils. The virtual load method (VLM) was proposed in the past following the Timoshenko beam theory to analyze geosynthetic-reinforced pavement on expansive soils. In the VLM, the unknown virtual distributed load was obtained in the way by applying the inverse theory for the identification of material parameters of the pavement-foundation system. It was seen that the selection of the number of material parameters to obtain virtual load significantly affects the accuracy of the structural properties of the pavement and tensile properties of the geosynthetics if the linear least square method is used. In this paper, a unique numerical scheme was proposed in the hopes of solving the issue. After a forward problem was solved numerically, the Timoshenko beam deflection was taken as a start-up for the inverse problem to back analyze the load applied to the pavement. Solutions from forward/backward examples have explicitly shown the accuracy achieved related to the bending moment in the pavement and tension in the geosynthetic reinforcements. The proposed methodology can be applied for an in-depth understanding of the geosynthetic function for the mitigation of longitudinal cracks on pavements caused by heave/shrinkage of expansive soils.

We discuss the implementation of a suite of virtual diagnostics at the FACET-II facility currently under commissioning at SLAC National Accelerator Laboratory. The diagnostics will be used for prediction of the longitudinal phase space along the linac, spectral reconstruction of the bunch profile and non-destructive inference of transverse beam quality (emittance) using edge radiation at the injector dogleg and bunch compressor locations. These measurements will be folded in to adaptive feedbacks and ML-based reinforcement learning controls to improve the stability and optimize the performance of the machine for different experimental configurations. In this paper we describe each of these diagnostics with expected measurement results based on simulation data and discuss progress towards implementation in regular operations.