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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

In recent years information and communication technologies (ICT) play a significant role in all aspects of modern society and impact socioeconomic development in sectors as education, administration, business, medical care and agriculture. The benefits of such technologies in agriculture can be appreciated only if farmers use them. In order to predict and evaluate the adoption of these new technological tools, the technology acceptance model (TAM) can be a valid aid. The paper measures the potential acceptance of an e-learning tool designed for EU farmers and agricultural entrepreneurs. Starting from a literature review of the technology acceptance model, by analyzing the most commonly used external variables in the fields of e-learning, Agriculture, and Virtual reality, the analysis shows that computer self-efficacy, individual innovativeness, computer anxiety, perceived enjoyment, social norm, content and system quality, experience and facilitating conditions are the most common determinants addressing technology acceptance. Furthermore, findings evidenced that the external variables have a different impact on the two main beliefs of the TAM Model, Perceived Usefulness (PU) and Perceived Ease of Use (PEOU). This study is expected to bring theoretical support for academics when determining the variables to be included in TAM extensions.

Background: Osteoarthritis (OA) is a common health condition that often requires procedures like total hip arthroplasty (THA). Rehabilitation plays a crucial role in managing OA, especially in supporting recovery and improving outcomes following THA. Given the rising demand for THA and the significant impact of OA on mobility and quality of life, effective rehabilitation strategies are essential. This study investigates the impact of virtual reality (VR) therapy on the psychological and functional outcomes of female patients undergoing rehabilitation post-THA. Methods: This pilot randomized controlled trial was conducted with 24 female patients aged 60 and older. Participants were randomized into two groups: a control group receiving 4-week standard rehabilitation and an experimental group receiving standard rehabilitation plus VR therapy. Psychological and functional statuses were assessed using the Hospital Anxiety and Depression Scale (HADS), Perception of Stress Questionnaire (PSQ), and various functional tests before and after the intervention. Results: The experimental group showed significant improvements in psychological outcomes, with a 53% reduction in overall HADS scores and a 43% reduction in PSQ scores. Functional improvements were also observed, with significant increases in Tinetti Test, Barthel Index, and Rivermead Motor Assessment scores. In contrast, the control group showed no significant changes in psychological parameters and less pronounced functional improvements. Conclusions: VR therapy effectively enhances psychological well-being and functional recovery in women undergoing rehabilitation post-THA. These findings suggest that integrating VR therapy into standard rehabilitation protocols could improve outcomes and should be considered in future rehabilitation strategies.

The study presents a methodology, used in the design development of stepper motors. The methodology unites virtual and physical techniques to assess the structure under development at its various design stages. Virtual prototyping is used twice, at the concept and early design stages. Concept check aims to give more general directions for further design development, while the simulations at the detailed design stage allow assessing various design parameters at a high level of confidence. The testing of a physical prototype is used to validate simulation results. It is also used to check the design just before it's finished. The presented methodology is demonstrated in an industrial use case for stepper motor development for hydraulic valve application.

Critical phases in socio-technical systems (STS) design are the definition of functional requirements for automated or software supported human activities while also addressing social and human interaction issues. To define automation support for human operations, STS designers need to ensure that specifications will satisfy not only non-functional requirements (NFR) of the system but also of its human actors such as human reliability/workload. However, such human factors aspects are not addressed sufficiently with traditional STS design approaches which could lead to systems failure or rejection. This paper proposes a new STS design method that addresses this problem and introduces a novel type of requirements namely Task Support Requirements (TSR) that assists in specifying the functionality that the system should have to support human agents in undertaking their tasks by addressing human limitations. The proposed method synthesizes a requirements/software engineering approach to STS design with functional allocation and an HCI perspective which facilitate application of human factors knowledge in conceptual models and evaluation through VR simulation. A case study methodology is employed in this work that allows in-depth, multi-faceted explorations of the complex issues that characterize STS.

ABSTRACT: Background: Virtual Reality (VR) emerges as a promising non-pharmacological intervention for managing symptoms and providing distraction during chemotherapy. This study aims to assess VR's effectiveness on cancer-related symptoms, vital signs, and patients' perception of the chemotherapy in lung cancer patients. Methods: A quasi-experimental study was conducted on 100 patients. Participants were allocated into an intervention group (n = 55), which experienced immersive VR, and a comparison group (n = 45), which received usual care. Data were collected through questionnaires and checklists, including feedback on the VR experience, pain, vital signs, and common cancer symptoms, assessed through the Edmonton Symptom Assessment Scale. Results: VR had a significant impact on reducing the perception of the chemotherapy length. Patients reported high levels of satisfaction and tolerability. No adverse events were observed. VR did not have significant influence on pain intensity and vital signs. The only exceptions were oxygen saturation, where a significant difference (p = 0.02) was reported, and perception of chemotherapy duration. Conclusions: As a non-pharmacological intervention, VR proves beneficial in minimizing the perceived length of chemotherapy session for lung cancer patients, enhancing their overall treatment experience. The intervention showed to be a safe, feasible, and well-accepted distraction technique. Future research should explore VR's potential effects on a wider range of symptoms and evaluate its impact on long-term outcomes.

The implementation of systems condition monitoring is of utmost importance in ensuring effective maintenance, optimal efficiency, and adherence to established design criteria. This research presents a novel and economically efficient Digital Twin Model (DTM) designed for the purpose of Live Condition Monitoring (LCM) and Predictive Lifecycles. This study discusses the enhancement of DTs modelling by decreasing the number of dimensions from five to three: Physical, Digital, and Connection entities. The resulting model exhibits a notable improvement in accuracy and efficiency. The suggested Dynamic Time Model (DTM) enhances the empirical pre-set average load for both simulation and experimentation by 35.7%, which is equivalent to a 1.6-fold increase. The DTM demonstrates a significant enhancement in the empirical predefined average lifecycles of the system, as shown in the real-life case study. Specifically, the DTM achieves a 12-fold improvement compared to the simulated results and a nine-fold improvement compared to the experimental findings. The suggested Dynamic Time Management (DTM) demonstrates a significant enhancement in the average lifecycles of the system, with a 19.7% improvement (equivalent to 1.2 times greater) compared to the wireless DTM results obtained through the application of the real system load. The suggested Dynamic Time Warping (DTW) method's accuracy and efficiency are shown via a practical case study using the suspension system of a Peugeot 3008 vehicle.

Input reconstruction problem is usually encountered in the areas such as virtual sensing, image restoration, sensor linearization, and communications. The input reconstruction problem can be seen as an inverse problem. Given a nominal system, two types of approaches are commonly used for solving the inverse problem. The first one is to directly invert the nominal system, and the second one is to derive an inversion of the nominal system in an indirect way. However, for the first type of approaches, system inversion cannot be directly conducted under some conditions such as there exist nonminimum-phase zeros in the nominal system, while for the second type of approaches, simultaneously guaranteeing stability and causality of the obtained inversion is still not solved well. In order to avoid the drawbacks existing in the two types of approaches, an alternative approach is proposed for input reconstruction. In this approach, the input signal is first modeled as the output of a state-space model, afterwards two Kalman filters for the model resulted by combining the input signal model and the nominal system model are implemented alternatively such that the input signal can be sequentially reconstructed in an infinite horizon. The proposed input reconstruction approach is applied in two examples, and simulation results can illustrate the effectiveness of the proposed approach.

Diagnosing congenital heart disease (CHD) remains challenging because of its complex morphology. Representing the intricate structures of CHD on conventional two-dimensional flat screens is difficult owing to wide variations in the pathologies. Technological advancements, such as three-dimensional printed heart models (3DPHM) and virtual reality (VR), could potentially address the limitations of viewing complex structures using conventional methods. This study aimed to investigate the usefulness and clinical value of four visualization modalities across three different cases of CHD, including ventricular septal defect, double outlet right ventricle, and tetralogy of fallot. Seventeen cardiac specialists were invited to participate in this study, which was aimed at assessing the usefulness and clinical value of four visualization modalities, namely, DICOM images, 3DPHM, VR, and 3D PDF. Of these modalities, 76.4% of the specialists ranked VR as the best for understanding the spatial associations among cardiac structures and for presurgical planning. Meanwhile, 94.1% ranked 3DPHM as the best modality for communicating with patients and their families. Of the various visualization modalities, VR was the best tool for assessing anatomical locations and vessels, comprehending the spatial relationships among cardiac structures, and for presurgical planning. The 3DPHM models were the best tool for medical education as well as communication. In summary, both 3DPHM and VR have their own advantages and outperform the other two modalities, i.e., DICOM images and 3D PDF, in terms of visualizing and managing CHD.

Introduction: The aim is to investigate the possibility of altering the delusional perceptions of psychotic patients by exposing them to a cognitively flexible virtual environment. A flexible vir-tual reality (VR) environment could challenge and enhance the ability to adapt to changing situa-tions and generate novel solutions to core psychotic symptoms. Materials and methods: A systematic review was conducted using different combinations of keywords in different databases. This study was conducted using the PRISMA statement. Results: There is a growing literature on the use of VR to manipulate and normalise perceptual distortions in psychosis. Over the last decade, the number of published studies on VR in mental health has increased 14-fold. Conclusions: A cognitive flexibility virtual environment can alter delusional perception by ex-posing the person to different scenarios that require them to question their assumptions, test their hypotheses, and revise their beliefs. Commonly used biosensors measure heart rate, skin con-ductance and body temperature in relation to different emotional states. Recently, there has been a major shift towards the use of neuroimaging techniques to better understand the pathophysiology of mental disorders. This is where the new wave of biosensor-integrated virtual reality (VR) sys-tems comes in.

Virtual tours with 360 photos present a quick, easy and accessible way to create immersive experiences. The visualization in diverse devices, provide a user experience that can be different. A virtual tour with 360 photos of the Chapel of Dolores (Tenerife), has been created. Whose access is limited to specific days, so the creation of a virtual tour allows you to visit it at any time, in addition, a pilot test has been carried out with students of the degree of restoration and conservation of cultural heritage in order to measure the user experience of the virtual tour depending on the device used. The participants took a virtual tour of the Dolores Chapel, first with a cell phone and then with the virtual reality headset, and then completed a user experience questionnaire. The results obtained comparing both visualization technologies are detailed, highlighting that when using the virtual reality headset no better results are obtained in the immersion subscale, in addition, the visualization on a Smartphone is more comfortable and obtains better results in consequences such as dizziness and vertigo. Therefore, it may be an interesting strategy to have simple versions that work quickly on the cell phones.

INTRODUCTION: With an increase in the aging population, the application of evidence-based practice in geriatric education can strengthen knowledge, skills, and clinical experience for healthcare students caring for older adults. Age Friendly Health Systems (AFHS) is one of the frameworks founded on providing evidence-based and low-risk care centered on what matters most to older adults, their families, and caregivers. Virtual Reality (VR) platforms are gaining popularity due to their ability to provide an immersive, hands-on learning experience resembling an actual medical practice or care setting. Immersive learning enhances students’ sensory perceptions, promoting an innovative and engaging way of acquiring concepts that are difficult to teach in real life. This study aimed to design, develop, implement, and evaluate a case-based training module highlighting AFHS and educating medical students on the 4Ms approach in geriatric care (What Matters, Medication, Mentation, and Mobility). METHODOLOGY: The project was a feasibility study completed in two phases. Phase one included planning and development of a case-based scenario incorporating 4Ms of AFHS. Phase two included implementing and evaluating the VR training module into the geriatric curriculum for medical students. RESULTS: The final VR case displays a hospital and post-acute setting where an elderly patient is admitted for a hip fracture. Students learn how to triage and treat patients from admission to discharge while demonstrating their knowledge of AFHS. Approximately 10% of students completed the evaluation survey, and preliminary results indicate significant knowledge change in pre-post scenario-based training on AFHS. CONCLUSION: The VR education platform and embedded scenario promise an innovative adaptation of technology in learning the concepts of the 4Ms of AFHS. However, future studies should explore VR education with clinical assessment evaluation to ensure competence in providing Age-Friendly care.

Software-In-The-Loop (SITL) simulation tools have been extensively used in development of safety-critical software. Utilizing these tools substantially accelerates software development eliminating potential risks and resource costs of physical experiments. This paper investigates the effects of model specific parameters on the development and testing of custom module in PX4 SITL environment. Models of a fixed-wing unmanned aerial vehicle with vertical takeoff and landing capabilities and steerable sensor platform/gimbal are used as case study for this investigation. The effects of parameters of these aerial vehicle and sensor platform models are taken into consideration in the development of custom module that controls the dynamics of steerable sensor platform mounted on the vehicle model. The work also presents steps necessary to customize PX4 SITL and Gazebo simulation environment to incorporate parameters of the vehicle and sensor platform models in the development and testing process of custom module. Based on these instances, simulation results are obtained and discussed. The results show that reliability of PX4 SITL simulation framework is justified by proper customization and integration of PX4 SITL and Gazebo simulator.

Instrumental activities of daily living (IADL) training is critical in clinical practice of occupational therapy (OT) for stroke patients. In the conventional approaches, the therapists simulate various occupational tasks in their healthcare settings or reach their nearby real circumstances for the training. As an alternative technology, immersive virtual reality (IVR) has been used widely in stroke rehabilitation for years; however, limited research has compared occupational performances between virtual and real environments. Our team has established a novel IVR shopping training system for stroke rehabilitation. We recruited 10 stroke patients from our department to test the system. All patients attempted to implement shopping tasks in the virtual and real environments respectively. The Wilcoxon test showed no significant differences between virtual and real environments in memory capacity and time-consuming for implementing tasks, and memory capacities in virtual and real environments presented excellent correlations with the IADL assessment. This study suggests that IVR shopping tasks can be used as an alternative approach in rehabilitation when there is limited resource for implementing shopping training in a real environment, while the psychometric property, clinical effect and the effect transferred to the real environment induced by virtual training require further study.

Background and Objectives: Botulinum toxin injections are commonly used for the treatment of spasticity. However, injection procedures are associated with pain and procedural anxiety. While pharmacological approaches are commonly used to reduce these, inno-vative technology might be considered as a potential non-pharmacological alternative. Given this context, immersive virtual reality (VR) has shown effectiveness in the man-agement of procedural pain[1]. Our retrospective pilot study aimed to assess the potential added value of virtual reality in the management of pain and anxiety during intra-muscular injections of botulinum toxin. Materials and Methods: Twenty-one adult patients receiving botulinum toxin injections were included. A numerical rating scale was used to assess pain and anxiety during the injection procedure. The patient reported the pain experienced during previous injections without VR before injection and the pain expe-rienced in the current procedure with VR after the end of the procedure. Level of satis-faction of VR experience, if they agreed to reuse VR for the subsequent toxin botulinum injection, and if they would recommend VR to other patients were assessed. Results: The use of virtual reality showed a decrease of 1.8 pain-related points compared to without technology. No significant improvement in the level of anxiety was reported. Patients were very satisfied by their VR experience (7.9 out of 10) and would agree to reuse VR in their next injection procedure (88%) and to recommend the use of VR in other patients (100%). Conclusion: VR was useful for managing procedural pain related to botulinum toxin injection in adults, with a high level of satisfaction reported by the patient. VR should be considered as a valuable alternative to pharmacological approach to manage procedural pain during Botulinum toxin injection in adults.

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.

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.

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.

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.

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.

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.

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

In recent years, the need to contain healthcare costs due to the growing public debt of many countries, combined with the need to reduce costly travel by patients unable to move autonomously, have captured the attention of public administrators towards tele-rehabilitation. This trend has been consolidated overwhelmingly following the Covid-19 pandemic, which has made it precarious, difficult and even dangerous for patients to access hospital facilities. We present a platform devoted to the rapid prototyping of Virtual Reality based, cognitive tele-rehabilitation exercises. Patients who experienced injury or pathology need to practice a continuous training in order to recover functional abilities, and the therapist need to monitor the outcomes of such practices. The Virtual Reality exercises are designed on Unity 3D to empower the therapist to set up personalised exercises in a easy way, enabling the patient to receive personalized stimuli, which are crucial for a positive outcome of the practice. Furthermore, the reaction speed of the system is of fundamental importance, as the temporal evolution of the scene must proceed parallel to the patient’s movements, to ensure an effective and efficient therapeutic response. So, we optimized the Virtual Reality application in order to make the loading phase and the startup phase as fast as possible and we have tested the results obtained with many devices: in particular computers and smartphones with different operating systems and hardware. The implemented platform integrates in Nu!Reha system®, a tele-rehabilitation set of services that helps patients to recover cognitive and functional capabilities.

Cloud computations are based on the computer networks such as Internet which presents a new pattern to provide, consume and deliver services such as infrastructure, software, ground and other resources using network. The inappropriate timing of assigning loads to the virtual machines in the computational space could lead to unbalance in the system. One of the challenging planning problems. In the cloud data centers is considering both assigning and migration (transfer) of the virtual machines with the ability of reconfiguration and the integrated features of the hosting physical machines. In this article, we introduce an integrated and dynamic timing algorithm based on the Genetic evolution algorithm. The suggested method was evaluated based on these factors and different inputs. Our suggested method is done using Java programming language and cloud-SME simulation. The results show that the execution time and the response time were improved by 12 and 1 percent respectively.

Background: SARS-CoV-2 that are the causal agent of a current pandemic are enveloped, positive-sense, single-stranded RNA viruses of the Coronaviridae family. Proteases of SARS-CoV-2 are necessary for viral replication, structural assembly and pathogenicity. The ~33.8KDa M^pro protease of SARS-CoV-2 is a non-human homologue and highly conserved among several coronaviruses indicating M^pro could be a potential drug target for Coronaviruses.Methods: Here we performed computational ligand screening of four pharmacophores (OEW, Remdesivir, Hydroxycholoquine and N3) that are presumed to have positive effects against SARS-CoV-2 M^pro protease (6LU7) and also screened 50,000 molecules from the ZINC Database dataset against this protease target.Results: We found 40 pharmacophore-like structures of natural compounds from diverse chemical classes that exhibited better affinity of docking as compared to the known ligands. The 10 best selected ligands namely, ZINC1845382, ZINC1875405, ZINC2092396, ZINC2104424, ZINC44018332, ZINC2101723, ZINC2094526, ZINC2094304, ZINC2104482, ZINC3984030, and ZINC1531664, are mainly classified as β-carboline, Alkaloids and Polyflavonoids, and all of them displayed interactions with dyad CYS145 and HIS41 from the protease pocket in a similar way as with other known ligands.Conclusion: Our results suggest that these 10 molecules could be effective against SARS-CoV-2 protease and may be tested in vitro and in vivo to develop novel drugs against this virus.

Pseudomonas aeruginosa is an emerging opportunistic pathogen responsible for cystic fibrosis and nosocomial infections. In addition, empirical treatments are become inefficient due to their multiple-antibiotic resistance and extensive colonizing ability. Quorum sensing (QS) plays a vital role in the regulation of virulence factors in P. aeruginosa. Attenuation of virulence by QS inhibition could be an alternative and effective approach to control infections. Therefore, we sought to discover new QS inhibitors (QSIs) against LasR receptor in P. aeruginosa using chemoinformatics. Initially, a structure-based high-throughput virtual screening was performed using the LasR active site that identified 61404 relevant molecules. E-pharmacophore (ADAHH) screening of these molecules rendered 72 QSI candidates. In standard-precision docking, only 7 compounds were found as potential QSIs due to their higher binding affinity to LasR receptor (-7.53 to -10.32 kcal/mol compared to -7.43 kcal/mol of native ligands). The ADMET properties of these compounds were suitable to be QSIs. Later, extra-precision docking and binding energy calculation suggested ZINC19765885 and ZINC72387263 as the most promising QSIs. The dynamic simulation of the docked complexes showed good binding stability and molecular interactions. The current study suggested that these two compounds could be used in P. aeruginosa QS inhibition to combat bacterial infections.

We propose a computer-generated hologram method for near-eye virtual reality and augmented reality 3D display. A 3D object located near the holographic plane is projected onto a projection plane to obtain a plurality of projected images with different angles. The hologram is calculated by superposition of projected image convolution with a specific PSF through the interference of reference wave with object wave. Holographic 3D display systems with LED as illumination, 4f optical filtering system and lens as eyepiece for near-eye VR display and HOE as combiner for near-eye AR display are designed. The results show that the proposed method is about 38 times faster than the conventional point cloud method. The proposed method is flexible to produce speckle noise free high-quality VR and AR images with efficient focus and defocus capabilities.

Background: Since the advent of virtual reality (VR), it has been used in medical education for surgical training and anatomy teaching. Recently, other modalities of extended reality (XR) such as augmented reality (AR) and mixed reality (MR) has also made its way into medical education. Although there has been research validating XR’s use in medical education, there have been few studies on the research trends of the different XR modalities. The paper aims to compare the research trends of the XR modalities in general and in terms of the medical fields studied and outcomes measured. Methods: Web of Science was searched, and preliminary data was extracted to analyze the general trend. Inclusion and exclusion criteria were then applied, and finalized articles were analyzed and grouped based on the medical field studied and outcomes measured. Results: 31 articles on VR, eight on AR and one on MR were included in the final analysis. We found that there is increasing research in VR since 1990 and AR since 2008. The research in MR is constant. Most of the papers on VR studied endoscopic surgery and anatomy whereas AR studied mostly anatomy and endovascular procedures. Using Miller’s prism of clinical competence, the competency measured most for VR and AR is “show”. Discussion and conclusion: Advancement in computing, communication and display technologies since 1990 may contribute to the increase in research on VR whereas the ubiquity of smartphone since 2008 may explain the increase in research on AR. Although both VR and AR are used in surgical training and anatomy teaching, we found possible strengths of VR in counseling and AR in practical skills. The competency "show" was measured most as most of the papers were on surgery, and the XR simulators used can capture surgical parameters

This paper is an interdisciplinary study of novel applications of techniques and tools of an area of brain science, known as Synesthesia (involving associations and/or confusion between distinct senses), to area of Computer Science known as Immersive Virtual Reality (VR), that makes the subject’s awareness of physical self be diminished by being surrounded in an engrossing artificial environment. Natural Synesthesia has for the last decade been an important emerging area in brain science but is present in only a small proportion of the population. For example a person with Natural Synesthesia, when viewing a grapheme, may perceive a color additionally to be associated to the grapheme. In contrast, Artificial synesthesia (also known as virtual synesthesia or synthetic synesthesia) has been defined as the sensory joining due a cross-modal mapping device, where information of one sense is accompanied by an induced perception in another sense. In particular, we propose use of a multimodal manner of displaying information in VR to increase and concentrate attention. Artificial Synesthesia to synthetically create induced associations between senses, allowing Artificial Synesthesia to be experienced by anyone using a VR system. The paper describes the enhancement of immersive VR by use of Artificial Synesthesia to improve the system’s performance at steering and directing the attention of the user. We describe techniques for an enhanced immersive VR that displays associations between a variety of senses: between colors and characters, also between colors and sounds, and between sounds and the position of tactile sensations. The sense association provided by Artificial Synesthesia allows the system to better capture the user’s attention and better direct that attention. A major application of our work in VR-induced Artificial Synesthesia is to provide an enhanced methodology for controlling the attention of the subject, and to improve the direction of attention of subjects undergoing guided imagery therapies for pain relief. Other potential high-impact applications include improved immersive VR, more programmable human/computer interfaces and other medical therapies.

From the theory of relativistic chemical kinetics [M. W. Baig, Int. J. Mod. Phys. B 31, 1750177 (2017)] relativistic thermodynamics and kinetics for electrode processes have been developed to explain time dilation for electrode processes. For a moving observer moving at fractions of the speed of light, cell potential is observed to decrease. This results in the slower oxidation and reduction of ions at the respective electrodes. The newly formulated Lorentz transformation of the electrode and cell potential is explained in terms of generation of spin 2-boson “gravitons” from fusion of spin-1 boson “virtual-photons” mediating electrostatic force of attraction between ions and electrodes. It is postulated that birth of spin 2-boson i.e. gravitons is followed by their eventual escape in any of higher 4+n dimensions. To demonstrate the effectiveness of the present theory, the Daniel cell is considered as a numerical example.

This study explores the integration of Building Information Modelling (BIM) and Virtual Tours in the Architecture Engineering and Construction (AEC) industry, focusing on Facility Management (FM) and Computerized Maintenance Management Systems (CMMS). The research addresses the need for different levels of detail in BIMs across various building phases and the potential of Virtual Tours as a complement to BIMs in IoT-based FM. The study’s methodology includes a literature review, a pilot-demonstrator case study, installation of monitoring and IoT control devices, execution of BIMs and Virtual Tour models, and development of links between system elements. The case study is based on the Controlled Environments for Living Lab Studies (CELLS), a unique facility designed for flexible monitoring and remote-control processes. The findings of this research could provide valuable insights into the potential of Virtual Tours to complement and connect to BIMs within a life cycle perspective, enhancing the usability of digital twins for nontrained users and contributing to the evolution of the AEC industry.

Surgical navigation has evolved as a vital tool in maxillofacial surgery, offering precise and patient-specific data. This study explores the clinical applications and accuracy of intraoperative tool tracking in maxillofacial surgery. The research includes 37 patients with various pathologies who underwent surgery assisted by a surgical navigation system using tracked instruments. The study showcases two representative cases: one involving coronoid hyperplasia with mouth opening deficit and another addressing nose-orbital-ethmoidal-frontal ossifying fibroma resection. The results indicate that surgical navigation with tracked instruments provides high precision (<1.5 mm error), reduced surgical time, and less invasive approaches. The study highlights the potential for reproducible outcomes and increased safety, especially in complex cases. Despite some limitations, the synergy between surgical navigation and tracked instruments offers a promising approach in maxillofacial surgery, expanding its applications beyond current practices.

Background/Objectives: The rise of virtual bioequivalence studies has transformed the pharmaceutical landscape, enabling more efficient drug development processes. This systematic review aims to explore advancements in Physiologically-Based Pharmacokinetic (PBPK) modeling, its regulatory implications, and its role in achieving virtual bioequivalence, particularly for complex drug formulations. Methods: We conducted a systematic review of clinical trials using computational methods, particularly PBPK modeling, for bioequivalence assessments. Eligibility criteria are emphasized in silico modeling and pharmacokinetic simulations. Comprehensive literature searches were performed across databases such as PubMed, Scopus, and the Cochrane Library. A search strategy using key terms and Boolean operators ensured extensive coverage. We adhered to PRISMA guidelines for study selection, data extraction, and quality assessment, focusing on key characteristics, methodologies, outcomes, and regulatory perspectives from the FDA and EMA. Results: Our findings indicate that PBPK modeling significantly enhances the prediction of pharmacokinetic profiles, optimizing dosing regimens while minimizing the need for extensive clinical trials. Regulatory agencies have recognized this utility, with the FDA and EMA developing frameworks to integrate in silico methods into drug evaluations. However, challenges such as study heterogeneity and publication bias may limit the generalizability of results. Conclusions: This review highlights the critical need for standardized protocols and robust regulatory guidelines to facilitate the integration of virtual bioequivalence methodologies into pharmaceutical practices. By embracing these advancements, the industry can improve drug development efficiency and patient outcomes, paving the way for innovative therapeutic solutions. Continued research and adaptive regulatory frameworks will be essential in navigating this evolving field.

Several medical graduates, avoid surgical specialties especially those with complex and delicate anatomy due to their doubt in their visual spatial abilities. Many patients are deemed inoperable, particularly in the field of pediatric cardiology, due to the complexity of the anatomy. On a similar note, stratification of risk of cardiac interventions, and decision making, is a room of significant person-based and center-based bias. Two inter-related technologies, namely immersive virtual reality (VR) and artificial intelligence have made impossible things possible and can help to standardize decision making strategies. This review aimed at reviewing the main anatomical and lesion-based scopes of these advancements in the field of cardiac care, with a special focus on pediatric cardiology.

Aiming at the problem of underactuated unmanned surface vehicles (USVs) performing fixed-point operations in the sea but without dynamic positioning control system. This paper introduces an original approach for positioning control, and the method is named as virtual anchor control method. This method is applicable in slow-varying current environments, and this approach does not need the prior knowledge of current information or vessel motion model parameters, thus offering convenient usability. This method is comprised by four steps. Firstly, a linear concise motion model with unknown disturbances is proposed. Then, the motion planning law is designed by imitating underlying principles of ship anchoring. Next, an adaptive disturbance observer is proposed for estimating uncertainties in the motion model. Last step, based on the observer, a sliding-mode method is used for heading control law designing, and thrust control law is also conducted by applying the Lyapunov method. Finally, numerical simulation experiments with significant disturbances and tidal current variations are conducted, which demonstrate that the proposed method has good control effect and robustness.

This study explores consumer perceptions of virtual reality (VR) in marketing, aiming to understand how immersive technology impacts engagement and brand perception. As VR continues to evolve and integrate into various marketing strategies, it becomes crucial to examine its effectiveness and the factors influencing consumer attitudes. Through a detailed thematic analysis, this research identifies key themes such as familiarity with VR technology, immersion and engagement, technical quality, accessibility, personalization, storytelling, social interaction, purchase intentions, and brand perception. The findings reveal that familiarity with VR enhances enthusiasm and comfort, leading to more positive attitudes towards VR marketing. The immersive and multi-sensory nature of VR provides a significant advantage over traditional advertising methods, fostering stronger emotional connections and increasing memorability. However, the quality of the VR experience is critical; high-quality graphics and seamless interactions are essential for maintaining positive consumer perceptions. Technical issues, such as lag and motion sickness, can negatively impact the experience, especially for those less acquainted with VR technology. Accessibility remains a challenge, with limited access to VR headsets restricting the reach of VR marketing campaigns. Personalization of VR content is highly valued, though it must be balanced with ethical considerations related to data privacy. The power of storytelling in VR enhances engagement by allowing consumers to actively participate in narratives. Social interaction within VR experiences adds an extra layer of enjoyment. The study also highlights the practical applications of VR marketing in high-involvement sectors and underscores the need for continuous innovation and consumer feedback to maximize the technology's impact. Overall, VR holds significant potential to transform marketing practices by offering immersive, engaging, and memorable experiences that deepen consumer connections and drive positive outcomes.

Background: Young people with intellectual developmental disabilities have a persistent delay in the development of executive functions. Virtual reality (VR) is increasingly being used as a cognitive intervention tool, with significant effectiveness demonstrated in different types of populations. Methods: This pilot study aims to investigate the impact of a cognitive training program utilizing VR on young adults diagnosed with intellectual developmental disability (IDD). The participants (N=15) served as their own control group and were assessed three times: weeks 0, 8 and 16, with a rest period (0-8 weeks) and an intervention period (8-16 weeks). The assessments included measures of cognitive function, provided by E-Prime®. Results: Overall, an improvement in working memory and inhibitory control was found after the intervention, but not in sustained attention. Conclusions: These findings suggest that VR-based cognitive training holds promise as an effective intervention for enhancing cognitive abilities in young adults with intellectual developmental disability.

This paper examines the use of multisensory virtual reality (VR) as a novel approach in psychological therapy for autobiographical memory retrieval with benefits for cognitive enhancement, stress reduction etc. The research in this paper was done under Romanian Arut Research Grant no. 27/09/10/2023 ”Intelligent VR system for treating autobiographical/episodic memory deficits".  By simulating realistic multisensory experiences, VR technology offers an immersive environment that surpasses traditional therapeutic methods in effectiveness. Previous studies demonstrate improved outcomes in treating various psychological conditions (affective disorders and PTSD, specific phobias and age-related cognitive decline). Technological advancements in VR, such as olfactory integration cand contribute to the realism and therapeutic potential of these environments, the integration of various physical stimuli with VR holds promising potential psychological therapies and highlighting the need for further interdisciplinary research. In this pilot study we tested the efficacy of a new system for triggering autobiographical memory retrieval. For this we used images combined with odors in a congruent manner and offering participants the chance to interact with the VR environment by using 2 virtual hands. We evaluated the efficacy of this system using qualitative methods with emphasis on the evaluation of the emotions associated with memory recollection and the ease of triggering memories. All participants in our pilot study experienced intense emotions related to childhood or adolescence and the pleasant feelings they had during the experiment persisted even after it ended. This is an advancement to what exists currently and original research elements for our paper.

The combination of encryption and digital watermarking technologies is a trend to achieve full lifecycle data protection. Recently, reversible data hiding in encrypted domain (RDHED) has greatly aroused the interests of many scholars. But the fixed order of first encryption and then watermarking makes this kind of algorithms unsuitable to many applications. Commutative encryption and watermarking (CEW) technology realizes the flexible combination of encryption and watermarking, and suits more applications. However, most existing CEW schemes for vector maps are not reversible and unsuitable to high precision maps. To solve this problem, here we propose a commutative encryption and reversible watermarking (CERW) algorithm for vector maps based on virtual coordinates which are uniformly distributed on the number axis. The CERW algorithm consists of virtual interval step based encryption scheme and coordinate difference based reversible watermarking scheme. In the encryption scheme, the map coordinates are moved randomly by multiples of virtual interval step defined as distance between two adjacent virtual coordinates. In the reversible watermarking scheme, difference expansion (DE) technique is used to embed the watermark bit into the coordinate difference computed based on the relative position of a map coordinate in a virtual interval. Since the relative position of a map coordinate in a virtual interval keeps unchanged during the coordinate scrambling encryption process, the watermarking operation and the encryption operation don’t interfere with each other and the commutativity between encryption and watermarking achieves. Results show that: proposed method has high security, high capacity and good invisibility. In addition, the algorithm is not only applicable to polyline and polygon vector data, but also can be applied to sparsely distributed point data which the traditional DE watermarking algorithm often fails to watermark.

2019-n-CoV is the seventh coronavirus known to infect humans and cause serious illness, and due to its lethality there was a worldwide mobilization for the development of new drugs and new vaccines for Covid-19. Therefore, the present work aims to carry out a virtual screening of terpenes with potential anti SARS-CoV-2 activity. To perform the ligand-based virtual, a model was constructed regarding the compounds which already showed inhibitory activity of the SARS-CoV-2. The test series corresponded to terpenes isolated in the Fabaceae Family. The compounds that were most likely to activity were subjected to Molecular Docking and the best poses obtained were subjected to Molecular Dynamics (MD) simulations carried. The molecules under study were submitted to in vitro evaluation to assess inhibitory activity of compounds against SARS-CoV-2 in a phenotypic screening model of the virus. The compounds selected by in silico screening corresponded to triterpenoids from the lupane series. In the in vitro test, both demonstrated activity against the SARS-CoV-2 virus. The virtual screening performed managed to identify the compounds with the highest probability of activity, as well as the most stable compounds, and the method used was validated by the in vitro study carried out.

Accurate classification of objects in 3D point clouds is a significant problem in several applications, such as autonomous navigation and augmented/virtual reality scenarios, which has become a research hot spot. In this paper, we presented a deep learning strategy for 3D object classification in augmented reality. The proposed approach is a combination of the GRU and LSTM. LSTM networks learn longer dependencies well, but due to the number of gates, it takes longer to train; on the other hand, GRU networks have a weaker performance than LSTM, but their training speed is much higher than GRU, which is The speed is due to its fewer gates. The proposed approach used the combination of speed and accuracy of these two networks. The proposed approach achieved an accuracy of 0.99 in the 4,499,0641 points dataset, which includes eight classes (unlabeled, man-made terrain, natural terrain, high vegetation, low vegetation, buildings, hardscape, scanning artifacts, cars). Meanwhile, the traditional machine learning approaches could achieve a maximum accuracy of 0.9489 in the best case.

The last decade has witnessed rapid development of immersive virtual reality (IVR) and its application in various contexts. However, its application in supporting real-time virtual collaboration has been quite rare due to technical barriers and the lack of validated design principles. To address this research gap, this study designed and developed an IVR space to enable multi-user synchronous co-located collaboration. An evaluation study (N = 95) was conducted to explore its useful design considerations and the influencing factors for collaboration experience. The IVR space was enabled by the simultaneous localization and mapping (SLAM)-based inside-out tracking technique and was informed by four essential design considerations for promoting effective collaboration in IVR, namely, the role script, learning task, collaboration mechanism, and communication design. The study results revealed that students in general were satisfied with their collaboration experience in IVR, with social presence and collaboration competency as significant predictors of collective efficacy and social experience. Based on both quantitative and qualitative results, this study proposes four validated principles for designing effective IVR spaces to support synchronous co-located collaboration.

Cloud computing transformed IT organizations with its on-demand model, notably Infrastructure as a Service (IaaS). Cloud providers manage extensive physical devices, consuming substantial energy and bandwidth for data traffic during virtual machine deployment. Balancing energy and bandwidth are critical. This thesis presents BOHGOA integrated with ACO to optimize virtual machine placement in clouds, simultaneously considering bandwidth and energy. It yields Pareto-optimal solutions for this trade-off. Using CloudSim, BOHGOA outperformed GA, ACO, and FFD algorithms, reducing bandwidth consumption by 54.14%, 32.11%, 57.47% (240 VMs) and 38.12%, 22.76%, 47.05% (500 VMs) respectively. Additionally, it decreased physical machine energy usage by 37.70%, 34.01%, 40.14% (240 VMs) and 27.50%, 22.28%, 30.52% (500 VMs) respectively. These results underscore BOHGOA's effectiveness in optimizing cloud VM placement.

This paper presents a thorough review of Electrical Muscle Stimulation (EMS) in the context of Augmented Reality (AR) and Virtual Reality (VR), specifically focusing on its application in providing kinesthetic feedback. Our systematic review of 17 studies reveals the growing interest and potential of EMS in this domain, as evidenced by the growing body of literature and citations. Key elements presented in our review encompass a catalog of the applications developed to date, specifics of the stimulation parameters used, the participant demographics of the studies, and the types of measures used in these research efforts. We discovered that EMS offers a versatile range of applications in AR/VR, from simulating physical interactions like touching virtual walls or objects, to replicating the sensation of weight and impact. Notably, EMS has shown effectiveness in areas such as object handling and musical rhythm learning, indicating its broader potential beyond conventional haptic feedback mechanisms. However, our review also highlights major challenges in the research, such as inconsistent reporting of EMS parameters and a lack of diversity in study participants. These issues underscore the need for improved reporting standards and more inclusive research approaches to ensure wider applicability and reproducibility of results.

Barrier coverage is a fundamental application in wireless sensor networks, which is widely used to protect a region through intruder detection for smart city. In this paper, we study a new branch of barrier coverage, named warning barrier coverage (WBC). Different from the classic barrier coverage, WBC has the inverse protect direction, which protects unexpected visitors by warning them away from the region enclosed by sensor barriers. The WBC holds a promising prospect in many danger keep out applications for smart city. For example, a WBC can enclose the debris area in the sea and alarm any approaching ships in order to avoid their damaging propellers. One special feature of WBC is that the target region is usually dangerous and its boundary is previously unknown. Hence, the scattered mobile nodes need to detect the boundary and form the barrier coverage themselves. It is challenging to form these distributed sensor nodes into a barrier because a node can sense only the local information and there is no global information of the unknown region or other nodes. To this end, we propose a novel solution AutoBar for mobile sensor nodes to automatically form a WBC for smart city. To pursue the high coverage quality, we theoretically derive the optimal distribution pattern of sensor nodes using convex theory. Based on the analysis, we design a fully distributed algorithm that enables nodes to collaboratively move towards the optimal distribution pattern. In addition, AutoBar is able to reorganize the barrier even any node is broken. To validate the feasibility of AutoBar, we develop the prototype of the specialized mobile node, which consists of two kinds of sensors: one for boundary detection and another for visitor detection. Based on the prototype, we conduct extensive real trace driven simulations in various smart city scenarios. Performance results demonstrate that AutoBar outperforms the existing barrier coverage strategies in terms of coverage quality, formation duration, and communication overhead.

Appropriate techniques for promoting reading fluency are difficult to implement in the classroom. There is little time to provide students with individualized feedback on reading aloud or to moti-vate them to do so. In this context, VR can be beneficial for learning, to provide individualized feedback and for increasing learners' engagement. Studies analyzing established methods of lan-guage learning in school in VR seem to be lacking so far. Therefore, this study project was the first to analyze the acceptance of students towards the implementation of a concept of reading fluency training with students at a secondary school in VR. The study method was developed based on the Technology Acceptance Model. The VR environment developed is web-based and provides indi-vidual and collaborative opportunities for training reading fluency, giving, and receiving feed-back, and deepening content understanding of the reading texts. To analyze the acceptance of the VR environment, 5 guided interviews were conducted. The results show that despite technical challenges with the VR environment, students accepted and appreciated the reading fluency training in VR. The integration of established concepts of reading fluency training in foreign lan-guage classrooms has great potential as additional added value can be created to address the challenges of face-to-face instruction.

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.

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.

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.

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.

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.

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.

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.

Hand tracking enables controller-free interaction with virtual environments, which can, compared to traditional handheld controllers, make virtual reality (VR) experiences more natural and immersive. As naturalness hinges on both technological and user-based features, fine-tuning the former while assessing the latter can be used to increase usability. For a grab-and-place use case in immersive VR, we compared a prototype of a camera-based hand tracking interface (Leap Motion) with customized design elements to the standard Leap Motion application programming interface (API) and a traditional controller solution (Oculus Touch). Usability was tested in 32 young healthy participants, whose performance was analyzed in terms of accuracy, speed and errors as well as subjective experience. We found higher performance and overall usability as well as overall preference for the handheld controller compared to both controller-free solutions. While most measures did not differ between the two controller-free solutions, the modifications made to the Leap API to form our prototype led to a significant decrease in accidental drops. Our results do not support the assumption of higher naturalness for hand tracking but suggest design elements to improve the robustness of controller-free object interaction in a grab-and-place scenario.

The outbreak of COVID-19, the disease caused by SARS-CoV-2, continues to affect millions of people around the world. The absence of a globally distributed effective treatment makes the exploration of new mechanisms of action a key step to address this situation. Stabilization of non-native Protein-Protein Interactions (PPIs) of the nucleocapsid protein of MERS-CoV has been reported as a valid strategy to inhibit viral replication. In this study, the applicability of this unexplored mechanism of action against SARS-CoV-2 is analyzed. During our research, we were able to find three inducible interfaces of SARS-CoV-2 N protein NTD, compare them to the previously reported MERS-CoV stabilized dimers, and identify those residues that are responsible for their formation. A drug discovery protocol implemented consisting of docking, molecular dynamics and MM-GBSA enabled us to find several compounds that might be able to exploit this mechanism of action. In addition, a common catechin skeleton was found among many of these molecules, which might be useful for further drug design. We consider that our findings could motivate future research in the fields of drug discovery and design towards the exploitation of this previously unexplored mechanism of action against COVID-19.

Natural products comprise a rich reservoir for innovative drug leads and are a constant source of bioactive compounds. To find pharmacological targets for new or already known natural products using modern computer-aided methods is a current endeavor in drug discovery. Nature’s treasures, however, could be used more effectively. Yet, reliable pipelines for large scale target prediction of natural products are still rare. We have developed an in silico workflow consisting of four independent, stand-alone target prediction tools and evaluated its performance on dihydrochalcones (DHCs) – a well-known class of natural products. Thereby, we revealed four previously unreported protein targets for DHCs, namely 5-lipoxygenase, cyclooxygenase-1, 17β- hydroxysteroid dehydrogenase 3, and aldo-keto reductase 1C3. Moreover, we provide a thorough strategy on how to perform computational target prediction and guidance on using the respective tools.

In the end of December 2019, a new strain of coronavirus was identified in the Wuhan city of Hubei province in China. Within a shorter period of time, an unprecedented outbreak of this strain was witnessed over the entire Wuhan city. This novel coronavirus strain was later officially renamed as COVID-19 (Coronavirus disease 2019) by the World Health Organization. The mode of transmission had been found to be human-to-human contact and hence resulted in a rapid surge across the globe where more than 1,100,000 people have been infected with COVID-19. In the current scenario, finding potent drug candidates for the treatment of COVID-19 has emerged as the most challenging task for clinicians and researchers worldwide. Identification of new drugs and vaccine development may take from a few months to years based on the clinical trial processes. To overcome the several limitations involved in identifying and bringing out potent drug candidates for treating COVID-19, in the present study attempts were made to screen the FDA approved drugs using High Throughput Virtual Screening (HTVS). The COVID-19 main protease (COVID-19 Mpro) was chosen as the drug target for which the FDA approved drugs were initially screened with HTVS. The drug candidates that exhibited favorable docking score, energy and emodel calculations were further taken for performing Induced Fit Docking (IFD) using Schrodinger’s GLIDE. From the flexible docking results, the following four FDA approved drugs Sincalide, Pentagastrin, Ritonavir and Phytonadione were identified. In particular, Sincalide and Pentagastrin can be considered potential key players for the treatment of COVID-19 disease.

The current emergency due to the worldwide spread of the COVID-19 caused by the new SARS-CoV-2 is a great concern for global public health. Already in the past, the outbreak of severe acute respiratory syndrome (SARS) in 2003 and Middle Eastern respiratory syndrome (MERS) in 2012 demonstrates the potential of coronaviruses to cross-species borders and further underlines the importance of identifying new-targeted drugs. An ideal antiviral agent should target essential proteins involved in the lifecycle of SARS-CoV. Currently, some HIV protease inhibitors (i.e., Lopinavir) are proposed for the treatment of COVID-19, although their effectiveness was not yet assessed. The main protease (Mpro) provides a highly validated pharmacological target for the discovery and design of inhibitors. We identified potent Mpro inhibitors employing computational techniques that entail the screening of a Marine Natural Product (MNP) library. MNP library was screened by hyphenated pharmacophore model, and molecular docking approaches. Molecular dynamics and re-docking further confirmed the results obtained by structure-based techniques and allowed to highlight some crucial aspects. Seventeen potential SARS-CoV-2 Mpro inhibitors have been identified among the natural substances of marine origin. As these compounds were extensively validated by a consensus approach and by molecular dynamics, the likelihood that at least one of these compounds could be bioactive is excellent.

This study presents a novel approach for the early detection of developing thunderstorms. To date, methods for the detection of developing thunderstorms usually rely on accurate atmospheric motion vectors (AMVs) for the estimation of cooling rate of convective clouds, which corresponds to the updraft strength of the cloud objects. In this study we present a method for the estimation of the updraft strength that does not rely on AMVs. The updraft strength is derived directly from the satellite observations in the SEVIRI water vapor channels. For this purpose the absolute value of the vector product of two vectors derived from the observed radiances emitted by the water vapor channels in 2 subsequent satellite images is calculated. The x and y components of the vectors consists of the temporal change of the spatial brightness temperature gradients in x- and y-direction, the z component consists of the temporal variation of the brightness temperature at pixel level. The absolute value of the vector product is referred to as normalized updraft strength (NUS). The performance of the method has been investigated for 2 summer periods in 2016 and 2017 by validation with lightning data. Values of the Critical Success Index (CSI) of about 66 % for the 2016 period and 62 % for the 2017 period demonstrate the good performance of the method. The POD values for the experiments with the highest CSI values are 90.3 for 2016 period and 87.6 for the 2017 period, respectively The corresponding FAR values are 28.2% (2016) and 32.5 % (2017), respectively. In summary, the method has the potential to reduce the forecast lead time significantly, and can be quite useful in regions without a well maintained radar network.

Purpose: This paper extends previous works to include the role of therapeutic gardens in the healing environment as an intervention for bettering the clinical outcomes of Alzheimer’s and dementia patients, the positive impact of healing gardens and the innovative application of technologies with nature, for promoting cognitive rehabilitation in this particular patient population.Methods: Using ISI Web of Science, PubMed, ProQuest Central, MEDLIN, Scopus and Google Scholar, a relevant literature search on the positive health implications of therapeutic gardens on Alzheimer’s and dementia patients’ in the healthcare milieu was conducted.Results: Health implication of therapeutic gardens on Alzheimer’s and dementia patients’ spans across physical, social, psychological and cognitive effects. Virtual reality (VR) technologies offer positive cognitive outcomes to Alzheimer's disease (AD) and dementia patients.Conclusion: Therapeutic gardens should be extended for speedier recovery of other patient populations. Future directions in the design of healthcare gardens with a focus on patient experience are inferred.

In the contemporary construction management, poor project performance, cost overrun, and low-quality construction have become a central point of attention for improving project performance including information, interaction and communication management. virtual design and construction and building information modelling play indispensable role in improving the project performance. The aim of this study is to propose a Virtual Information Modeling as a novel information and communication technology method with potential to overcome problems in the construction industry. Using one-sample t test with Kolmogorov-Smirnov approach, we analysed data collected from structured questionnaire survey involving project managers working at architecture, engineering and construction industries in Tehran, Iran. The results suggest that the most important benefits and challenges of using Virtual Information Modeling are related to the area of integration, and implementation of Virtual Information Modeling has the greatest impact on this area of project management knowledge. Thus, integration should be considered a top priority for construction companies implementing Virtual Information Modeling in their projects. Policymakers should understand that careful management of virtual information is essential for improving the performance of projects and enhancing the process efficiency.

Object. Utilization of pedicle screws (PS) for spine stabilization is common in spinal surgery. With reliance on visual inspection of anatomical landmarks prior to screw placement, the free-hand technique requires a high level of surgeon skill and precision. Three-dimensional (3D) computer-assisted virtual neuronavigation improves the precision of PS placement and minimize steps. Methods. Twenty-three patients with degenerative, traumatic, or neoplastic pathologies received treatment via a novel three-step PS technique that utilizes a navigated power driver in combination with virtual screw technology. 1) Following visualization of neuroanatomy using intraoperative CT, a navigated 3-mm match stick drill bit was inserted at anatomical entry point with screen projection showing virtual screw. 2) Navigated Stryker Cordless Driver with appropriate tap was used to access vertebral body through pedicle with screen projection again showing virtual screw. 3) Navigated Stryker Cordless Driver with actual screw was used with screen projection showing the same virtual screw. One hundred and forty-four consecutive screws were inserted using this three-step, navigated driver, virtual screw technique. Results. Only 1 screw needed intraoperative revision after insertion using the three-step, navigated driver, virtual PS technique. This amounts to a 0.69% revision rate. One hundred percent of patients had intraoperative CT reconstructed images to confirm hardware placement. Conclusions. Pedicle screw placement utilizing the Stryker-Ziehm neuronavigation virtual screw technology with a three step, navigated power drill technique is safe and effective.

p-Hydroxyphenylpyruvate dioxygenase (HPPD) is not only the useful molecular target in treating life-threatening tyrosinemia type I, but also an important target for chemical herbicides. A combined in silico structure-based pharmacophore and molecular docking based virtual screening were performed to identify novel potential HPPD inhibitors. The complex based pharmacophore model (CBP) with 0.721 of ROC used for screening compound showed remarkable ability to retrieve known active ligands from decoy molecule. The ChemDiv database was screened using CBP-Hypo2 as a 3D query, and the best-fit hits subjected to molecular docking with two methods of LibDock and CDOCKER in Accelrys Discovery Studio 2.5(DS 2.5) to discern interactions with key residues at the active site of HPPD. 4 Compounds with top rank in HipHop model and well-known binding model were finally chosen as identification of lead compounds with potentially inhibitory effects on active site of target. The results provided powerful insight to the development of novel HPPD inhibitors herbicides using computational techniques.

Caveolin-1 (Cav-1) is 22 kDa caveolae protein, acts as a scaffold within caveolar membranes. It interacts with alpha subunits of G-protein and thereby regulates their activity. Earlier studies reported elevated or up-regulated levels of caveolin-1 in the serum of prostate cancer patients. Secreted Cav-1 promotes angiogenesis, cell proliferation and anti-apoptotic activities in prostate cancer patients. Cav-1 upregulation is mainly related to prostate cancer metastasis. Keeping above facts in view, the present study was designed to explore Cav-1 as a target for prostate cancer therapy using computational approach. Molecular docking, structural base molecular modelling and molecular dynamics simulations were performed to investigate Cav-1 inhibitors. A predictive model was generated and validated to establish a stable structure. ZINC database of biogenic compounds was used for induced fit docking (IFD) and high throughput virtual screening. The H-bond interactions of the compounds with active site residues of Cav-1 were estimated by IFD and 100 ns long molecular dynamic simulations. The reported compounds showed significant binding and thus can be considered as potent therapeutic inhibitors of Cav-1. This study provides a valuable insight into biochemical interactions of Cav-1 for therapeutic applications and warrants for experimental validation of the predicted ‘active(s)’.

Presented study demonstrates the application of actual technologies and tools for the development of a large scale axial flux electricity generator. (1) Background: The specifics of its application – run-of-river site – predefine design requirements, close to wind turbine generator. An extensive study of available solutions is used as a start point for further concept development; (2) Methods: A step based methodology is defined for concept parameters assessment and feasibility study. It demonstrates the advantages of virtual prototyping when assessing various design parameters; (3) Results: Several simulations over built different virtual prototypes provide sufficient information to elaborate an improved design concept. Major result is a ready for detailed design concept, with defined major parameters and studied work behavior; (4) Conclusions: The major outcome is the presentation of the application of virtual prototyping in assessment of large structures, where physical prototyping is expensive and time consuming approach. Application of virtual prototyping at very early product development stage is an effective way to undertake efficient solutions towards the concept of the product.

Glucocorticoids (GC) are widely used in the treatment of hematological malignancies; however, the long-term treatment lead to atrophic and metabolic adverse effects. Selective glucocorticoid receptor agonists (SEGRA) with reduced side effects could be the better GC alternative. More than 30 SEGRA were described but none of them reached clinical trials as anticancer treatment. In the present work, we proposed the novel approach to broaden the list of potential SEGRA by synthesis of derivatives of synephrine, the molecule of natural origin. We synthesized 26 compounds from the class of synephrine derivatives, and studied their anticancer effect in vitro in leukemia and lymphoma cells with MTT assay as well as their potential affinity to glucocorticoid receptor (GR) in silico using molecular docking approach. Novel derivative 1-[4-(benzyloxy)phenyl]-2-(hexylamino)ethanol (10S-E2) with the highest GR affinity in silico revealed the micromolar range cytotoxicity in lymphoma and leukemia cells after 24 h of treatment. The other compound, 2-(hexylamino)-1-(4-nitrophenyl)ethanol (13S-G2) with high GR affinity demonstrated cytotoxicity in the range of 50-70 µM. Overall, our results provide the rationale for the development and further investigation of synephrine derivatives as SEGRA with anticancer activity.

Understanding visual engagement in marketing is crucial for optimizing user experience and enhancing campaign effectiveness. This study introduces the Visual Interaction Analysis (VIA) methodology, utilizing advanced eye-tracking technology within immersive virtual reality (VR) environments to examine generational and gender differences in visual engagement after exposure to advertising materials. Using the Cognitive 3D platform for precise data capture, this research analyzed fixation patterns—total fixations, duration of fixations, and average duration per fixation—across Millennial and Generation Z cohorts. The analysis involved 44 participants, who were exposed to three posters in controlled VR settings. Results revealed significant generational differences: Generation Z demonstrated more focused attention, with higher fixation counts and longer total fixation durations compared to Millennials, suggesting that differences in media consumption and technological adaptation influence engagement strategies. However, both generations showed a similar depth of engagement, as indicated by the average duration per fixation. Gender analysis within Generation Z further revealed that female participants engaged for longer periods per fixation, indicating deeper processing of visual information. This methodology offers a robust framework for quantifying visual engagement, providing actionable insights that can help marketers tailor strategies and optimize campaign designs before launch.

This study investigated the effectiveness of virtual reality (VR) technology in table tennis education compared to traditional training methods. A 12-week randomized controlled trial was conducted with 120 participants divided equally between VR and traditional training groups. Performance metrics, learning motivation, and satisfaction were assessed at regular intervals. Results demonstrated significant advantages of VR training, with the VR group showing superior improvements in serve accuracy (23.5% vs. 15.8%, p < 0.001), rally endurance (increase of 8.2 vs. 5.7 shots, p < 0.01), and overall skill scores (18.7 vs. 13.2 points improvement, p < 0.001). The VR group also exhibited higher increases in learning motivation (23.5% vs. 12.8%, p < 0.001) and satisfaction (31.5% vs. 18.7%, p < 0.001). Subgroup analysis revealed particular benefits for novice players and younger participants. These findings suggest that VR technology offers a promising approach to enhance table tennis education, potentially revolutionizing sports training methodologies. Future research should focus on long-term skill retention and the optimization of VR training protocols.

Network Function Virtualization (NFV) allows for the dynamic provisioning of Virtualized Network Functions, adapting services to the complex and real-time network environment for enhanced network performance. Despite the benefits of NFV, virtual network functions (VNFs) migration and the energy consumption pose significant challenges due to the dynamic nature of the physical network, especially in the edge-cloud continuum network. Currently, people tackle this challenge by predicting the network traffic and then proactively migrating the VNFs using the predicted values. There are two challenges here. First, when SFCs belong to different network service providers, the historical network traffic data is held by the service providers, and they are reluctant to share the historical data due to privacy concerns. Without the historical network traffic data of each SFC, the resource provider that owns the underlying network cannot effectively predict the network traffic; in addition, without the feedback of the migration results of the underlying physical network, the network traffic prediction will be difficult to match the needs of the physical network. In this manuscript, we solve the problem of network traffic prediction in the NFV-based edge-cloud continuum network for multiple network service providers. We aim to improve migration performance and reduce energy consumption while ensuring resource and latency requirements. To protect the privacy of each network service provider, we apply an FL algorithm. After that, to improve the migration performance, we tailor the loss function. In the loss function, factors such as the number of migrations, the number of migration failures, and the energy consumption of the NFV-based edge-cloud continuum network are added. Additionally, to obtain the results of the SFC migration, we develop a mathematical model for the problem of multiple network service providers in the NFV-based network. The effectiveness of our algorithm is evaluated through extensive simulations, and the results show a significant reduction in the number of migrated nodes and energy consumption while improving the SFC acceptance ratio compared to state-of-the-art schemes which only use the difference between predicted and actual flows to define the loss function.

(1) Background: The rapid development of information technology has changed the traditional concept of space, gradually shifting the "container space" to the "relational space" . The constraints of geographical spatial elements are diminishing, and the theory of virtual agglomeration is gaining attention. (2) Methods: In this study, we constructed an evaluation system for virtual agglomeration, comprising four primary indicators: virtual infrastructure level, virtual output level, virtual input level, and virtual service level. The TOPSIS method was used to calculate the virtual agglomeration level for each province, and the DEA-Malmquist method was employed to measure provincial total factor productivity (TFP) in China. Using panel data from 30 provincial regions in China from 2013 to 2021, we examined the mechanism and impact path of virtual agglomeration on TFP. (3) Result: There is an inverted U-shaped relationship between virtual agglomeration and TFP in China. The overall development level of virtual agglomeration is relatively low, within the range where the marginal effect of virtual agglomeration on TFP is positive but diminishing, indicating significant potential for further development. The impact of virtual agglomeration on TFP is stronger in the Yangtze River Economic Belt compared to non-Yangtze River areas, and the highest stable point of TFP is higher in central provinces than in eastern and western provinces. (4) Conclusions: This study provides a theoretical basis and practical reference for improving the level of virtual agglomeration.

Falls are considered a significant cause of disability, pain, and premature deaths in older adults, often due to sedentary lifestyles and various risk factors. Combining immersive virtual reality (IVR) with physical exercise, or exergames, enhances motivation and personalizes training, effectively preventing falls by improving strength and balance in older people. IVR technology may increase the ecological validity of the assessments. The main goal of our study was to assess the feasibility of using a KAVE-based VR platform combining simulations of Levadas and a Cable Car to perform a balanced assessment and profiling of the older adult population for high risk-of-falls and the related user experience. A VR-based platform using a Wii balance board and a CAVE was developed to assess balance and physical fitness. Validated by the Biodex Balance System (BBS), 25 older adults participated in this study. The usability and presence were measured through the System Usability Scale and ITC-SOPI questionnaires, respectively. The IVR system showed a high presence and a good usability score of 75. Significant effects were found in the maximum excursion of the Centre of Pressure (COP) on the anterior-posterior axis during the Cable Car Simulation (CCS), correlating with BBS metrics. Multiple discriminative analysis models and the support vector machine classified fall risk with moderate to high accuracy, precision, and recall. The system accurately identified all high-risk participants using the Leave-One-Out method. This study suggests that an IVR-based platform based on simulations with high ecological validity can be used to assess physical fitness and identify individuals at a higher risk of falls.

Developing and utilising of underground space is an vital direction for urban growth. Underground commercial streets, as a significant component of underground space accommodating extensive human social activities, and consequently necessitate the creation of human-scale spaces. In the evolution of urban design development towards greater refinement, applying architectural theories and excessively subjective designs has resulted in a deficiency of human-centered design and a disordered spatial environment. This study merges environmental psychology and architectural theory to determine the appropriate length of spatial scale. Two experiments focusing on spatial perception evaluation were conducted using a virtual experimental platform that featured varying dimensions of spatial scale combinations. These quantified combinations were correlated with perception evaluation, and regression analysis was employed to identify appropriate scale ranges, which were superimposed on the range of length selection. Finally, the optimal length and scale combination for underground commercial street spaces were established, providing a reference for the human-centered design of these environments.

Avatar therapy (AT) is a novel virtual reality-based psychotherapy that has been developed to treat auditory verbal hallucinations (AVH) in treatment-resistant schizophrenia patients. Various psychotherapeutic components, such as emotions and sense of presence, could contribute to clinical outcomes. However, the interplay between sense of presence, emotions and clinical response has seldom been investigated. This study aimed to explore the relations between sense of presence, emotions, and clinical outcomes in AT. To conduct this investigation, data from previous and ongoing AT trials were used. Sense of presence and emotions were assessed using standardized questionnaires. AVH were evaluated using the Psychotic Symptom Rating Scales. While sense of presence was positively associated with positive emotions such as control and serenity, no significant associations were found for negative emotions. Moreover, a higher level of sense of presence was associated with a bigger decrease in AVH. Overall, positive emotions seem to be associated with sense of presence in AT. Sense of presence also seems to be involved in the therapeutic outcome, thereby suggesting that this could be an important component related to clinical response. More studies are needed to confirm these trends, which could be generalized to other virtual reality-based psychotherapies.

When wildlife and motor vehicles collide, the result for the animals is often death (roadkill). A commercial roadkill Virtual Fence (VF) mitigation device (iPTE Traffic Solutions) was used in a field trial to test its effectiveness along a 4.9-km segment of road on Bruny Island, Tasmania. A total of 585 days of monitoring of roadkill by species was conducted, with six sections alternatively switched on or off, according to a variation of a Crossover and Multiple Before-After-Control-Impact (MBACI) experimental designs that divided monitoring into “off-on” then “on-off” blocks of periods with each “on” period followed by a 16 d “wash-out” period. For the six sections over the four periods that exclude wash-outs, the 24 aggregated values of daily counts of roadkill of Tasmanian pademelons (Thylogale billardierii), that gave a total count of 222, were modelled. Other species were killed in insufficient numbers for analysis to be informative. The statistical analysis exploited the MBACI design to estimate the VF effect using a log-odds ratio parameter (LORP) while accounting for local spatio-temporal effects. Both versions of the analysis, either averaging over the three spatial replicates (paired sections) or two temporal replicates (blocks) gave no statistically significant effect of the VF judged as a LORP estimate not sufficiently below zero. Corresponding percentage reduction estimates of 9% and 16% were derived from the LORP estimates and given parameter uncertainty estimates the power to detect as significant a LORP corresponding to a 50% reduction in rate were 0.5 and 0.6, respectively. This study confirms results from a similar field trial carried out in 2018 also in southern Tasmania and adds to the evidence that this VF is likely to give if anything only a minor reduction in roadkill for a commonly killed species for which researchers have the best chance of detecting any practically useful reduction.

1) Background: When women receive a diagnosis of a gynecologic malignancy, they can have questions about their diagnosis or treatment that can result in voice queries to virtual assistants. Recent advancement in artificial intelligence (AI) has transformed the landscape of medical information accessibility. The Google virtual assistant (VA) outperformed Siri, Alexa, and Cortana in voice queries presented prior to the explosive implementation of AI in early 2023. The efforts presented here focus on determining if advances in AI in the last 12 months improved the accuracy of Google VA responses related to gynecologic oncology. (2) Methods: Previous questions were utilized to form a common basis for queries prior to 2023 and responses in 2024. Correct answers were obtained from the UpToDate medical resource. Responses related to gynecologic oncology were obtained using Google VA, as well as the generative AI chatbots Google Bard/Gemini and Microsoft Bing-Copilot. (3) Results: The AI narrative responses varied in length and positioning of answers within the response. Google Bard/Gemini achieved an 87.5% accuracy rate, while Microsoft Bing-Copilot reached 83.3%. In contrast, the Google VA’s accuracy in audible responses improved from 18% prior to 2023 to 63% in 2024. (4) Conclusion: While the accuracy of the Google VA has improved in the last year, it underperformed Google Bard/Gemini and Microsoft Bing-Copilot so that there is considerable room for further improved accuracy.

Background: Virtual care adoption accelerated during the COVID-19 pandemic, highlighting the need for healthcare professionals to develop relevant competencies. However, limited evidence exists on the core competencies required for quality virtual care delivery. Objective: This study aimed to identify the critical competencies physicians, nurses, and other health professionals need for adequate virtual care provision in Saudi Arabia using a Delphi method. Methods: A 3-round Delphi technique was applied with a panel of 42 experts, including policymakers, healthcare professionals, academicians, and telehealth specialists. In round 1, an open-ended questionnaire elicited competencies needed for virtual care. Competencies were distilled and rated for importance in rounds 2 and 3 until consensus was achieved. Results: Consensus emerged on 151 competencies across 33 domains. The most prominent domains were communication (15 competencies), professionalism (13), leadership (12), health informatics (5), digital literacy (5) and clinical expertise (11).

Digital twin, an innovative technology propelled by data and models, plays a seminal role in the digital transformation and intelligent upgrade of ships. This study introduces a digital twin methodology for real-time monitoring of ship structure deformation fields, based on finite discrete strain data, and a visualization tool framework is developed using virtual reality technology. First, the inverse Finite Element Method (iFEM) is employed to derive the deformation field of the ship structure in real time via sensor strain data. Secondly, the deformation field data obtained based on the iFEM algorithm is converted into general visualization data conducive to interpretation within VR applications. Lastly, a digital twin software tool is built to enable synchronous response and interaction between the virtual scene and the physical scene, directly superposing particular virtual objects (data acquired by sensors, CAD virtual models, and deformation field cloud images) onto the physical scene in real-time. The digital twin tool embodies a virtual reality visualization system framework integrating physical data measurement, reconstruction, analysis, expression, storage, rendering and interaction of deformation field data. Through practical application, the flexibility, effectiveness and compatibility of the developed prototype tool are verified. According to the results, the system can enhance the efficiency of scientific communication, model validation, and interdisciplinary sharing during the analysis and evaluation of mechanical properties of ship structures.

The International Maritime Organization (IMO) is enforcing increasingly stringent regulations on ship carbon emissions, The International Maritime Organization (IMO) has been implementing progressively strict regulations on ship carbon emissions, leading to the adoption of the virtual arrival (VA) method by many vessels to reduce their carbon footprint. However, the effectiveness of the traditional VA method often varies in busy ports with complex traffic organization scenarios. To address this, our study presents a novel, comprehensive model that integrates vessel scheduling with the VA approach. This model is designed to achieve a dual objective: reducing carbon emissions through Virtual Arrival and simultaneously minimizing vessel waiting times. In addition to these goals, it incorporates essential aspects of safety, efficiency, and fairness in port management, utilizing the NSGA-2 algorithm to find optimal solutions. This model has been tested and validated through a case study at Ningbo-Zhoushan port, employing its dataset. The results demonstrate that our innovative model and algorithm significantly outperform traditional scheduling methods, such as First-Come-First-Serve (FCFS) and Virtual-Arrival Last-Serve (VALS), particularly in terms of operational efficiency and reduction in vessel carbon emissions.

Smart grid capabilities have grown significantly in recent years. The smart grid provides advanced real-time handling of faults, advanced automatic control for efficient electricity transmission, monitoring and collection of the electrical system's capacity, and communication for information sharing. Unfortunately, its exposure to public networks makes it increasingly vulnerable to privacy breaches, vulnerabilities, and cyber-attacks. Cyber security threats and vulnerabilities in smart grid networks have become a primary concern that needs to be addressed before deploying a smart grid. Furthermore, the wide range of protocols increases the attack surface of a smart grid. This study focuses on the vulnerability of Modbus, which is regarded as one of the most prevalent protocols in smart grid communication networks. This paper presents preliminary findings of analyzing cyber-attacks against the Modbus protocol using a virtual testbed to investigate its effects on the smart grid network protocol. The concept incorporates an emulated Modbus/TCP network environment built from open-source software components that imitate fundamental industrial control features of the smart grid. Finally, we analyze the cycle of a cyber-attack leading through Reconnaissance to a DoS attack on the Modbus/TCP protocol and propose improvements to the test bed for protocol attack detection and mitigation.

Gastric cancer (GC) is a highly heterogeneous, complex disease and the fifth most common cancer worldwide (about one million cases and 784 000 deaths worldwide in 2018). CG is lately diagnosed and guarantees a poor prognosis for GC (the 5-year survival rate is less than 20%, but in early detection can reach 90%). This study evaluated the transcriptional profile in tumor gastric samples to find genes highly expressed during tumor establishment and use the related proteins as targets to find new anticancer molecules. Data was collected at Gene Expression Omnibus (GEO) bank to obtain 3 dataset matrices that analyze gastric tumor tissue versus normal gastric tissue, performed microarray using GPL570 platform, and from different sources. The genes found in silico analysis were confirmed in several lines of GC cells by RT-qPCR. The protein data bank was used to find the correspondent proteins. Then a structural-based virtual screening was done to find molecules, and docking analysis was done using the DockThor server. Our results of transcriptomic analysis, together with RT-qPCR, confirm the high expression of the genes AJUBA, FBXL13, CCDC69, CD80 and NOLC1 in GC lines. Based on that, the correspondent proteins were used in SBVS analysis. Five molecules, one each target, MCULE-2386589557-0-6, MCULE-7343047040-0-1, MCULE-5230409338-0-3, MCULE-9178344200-0-1 and MCULE -5881513100-0-29. All molecules have favorable pharmacokinetic, pharmacodynamic and toxicological properties. Molecular docking analysis revealed that the molecules interact with proteins in critical sites for their activity. Using a virtual screening approach, a molecular docking study was performed for proteins encoded by genes that play important roles in cellular functions for carcinogenesis. Combining a systematic collection of public microarray data with a comparative meta-profiling, RT-qPCR, SBVS, and molecular docking analysis provided a suitable approach to find genes involved in GC and work the correspondent protein to strive for new molecules with anticancer properties.

Authentic learning opportunities that simulate full scale design and construction experiences using real materials offer ideal experiential learning environments for construction and civil engineering students by challenging students to apply building concepts in practical settings. However, the excessive cost of real building materials required for this mode of education limits access to the vast majority of students. As a result, educational researchers have explored potential alternatives to provide cost-effective experiential learning through activities using mock-up materials (e.g., plastic straws, popsicle sticks) and simulation of experiences using immersive technologies (e.g., virtual reality or augmented reality). While some of these alternatives approximate the environment and others provide physical interaction with mock-up materials, the lack of authenticity in the building materials used introduces some apparent differences between the “authentic” learning environments and their cost-effective approximations. Therefore, this research aims to identify the learning processes reported by students and faculty who participated in authentic learning experiences to understand the ways in which this mode of education offers unique value to construction education. Their interview responses illustrated characteristics of authentic learning experiences that were believed to be critical to the learning process, some of which included: working in groups; interdisciplinary participants; and use of real construction materials. Although some of these characteristics are intrinsically linked to the use of real materials, others do not explicitly refer to interaction with real materials. This may indicate to aspects of the authentic learning processes that educational researchers can strategically target through more cost-effective learning environments like virtual and augmented reality. The contribution of this paper is in identifying the characteristics of authentic learning experiences that may guide educational investment and research innovations that aim to replicate some of these learning experiences through more accessible learning environments.

Mild cognitive impairment (MCI) is when brain function declines. It is a transition stage between normal aging and Alzheimer's disease (AD) and may be an underlying symptom of AD. Improper use of test instruments or imperfect test methods in clinical practice often leads to variations in test results. In addition, there may be resistance from the subject if he/she has to undergo multiple screening tests simultaneously. Therefore, the objective of this study was to use virtual reality to create an image testing scenario that integrates Mini-Cog, Short Portable Mental Status Questionnaire (SPMSQ), Mini-mental Status Examination (MMSE), Saint Louis University Mental Status Examination (SLUMS), Clinical Dementia Rating (CDR), and Cognitive Abilities Screening Instrument (CASI), and combine fuzzy logic control (FLC) technology to develop an MCI forecasting system. There were 24 middle-aged to older adults aged 50 to 65 years who participated in the evaluation experiment. The results showed that the MCI forecasting system developed in this study is highly correlated with the traditional screening tests, including Mini-Cog, SPMSQ, MMSE, SLUMS, and CASI. The forecasting system can provide an integrated reference score for testers in making judgments. In addition, the distribution of the System Usability Scale (SUS) evaluation scores for the MCI forecasting system revealed that 87.5% were grade C (good to use) or above, and 29.2% were grade B (extremely good to use) or above. The forecasting system receives positive feedback from the subjects.

The emergence of Digital Twin (DT) technology is creating unique opportunities for human so-ciety in terms of real-time data transfer from the physical environment to its digital replica. DT technology has two-way interaction capabilities that enable data exchange between physical and virtual environments, creating bidirectional data flows. Progress has been made in different in-dustry sectors, but the Architecture, Engineering, Construction, and Operation (AECO) sector still requires further development. Recent studies have shown the potential for DT-based platform implementation in the lifecycle management of buildings and infrastructure. This paper examines the development and implementation of DT technology in the construction sector, identifying key definitions, enablers and use cases, while comparing its use with other industries and evaluating benefits and future potential.

This paper investigates the physical/virtual dynamics when constructing an immersive environ-ment for medieval courtyard houses in Historic Cairo. Using a VR Lab at a university campus, the paper analyzes a courtyard that symbolizes social resilience and community bonding at the newly rehabilitated Bayt Yakan. The courtyard is reconstructed as a Mixed Object through 3D documentation and scanning the space to develop a photogrammetry and VR experience. The results show that the sense of presence is perceived through a combination of factors and juxta-positions of the real and the virtual including: 1) architectural aesthetics, 2) intangible elements and 3) socio-cultural activities in space. Based on the pilot case study, the paper concludes with proposing a “Geospatial Framework for Immersive Environments and Social Sustainability” that is transdisciplinary, pluralistic and expansive in nature to encompass the multiple narratives of the contested past, and overlay the material and immaterial sustainable features embedded in historical contexts, where the Mixed Reality paradigm becomes an enabler for multiple voices, tools and mediums.

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.

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.