This paper shares our work in developing and implementing an immersive gamification training platform for students who undergo manufacturing shopfloor training at the School of Engineering, Nanyang Polytechnic, Singapore. In this gamification training platform, we developed a virtual manufacturing shopfloor that is identical to the actual shopfloor located in the school. Students have the freedom to learn the manufacturing shopfloor operations and safety acts through the various game scenarios and training tasks which include workshop safety, CNC machine introduction, CNC machining dynamics, MES, etc. In addition, the assessment feature with immediate feedback were embedded within the gamification platform, which aim to help students to assess their level of understanding and help teachers to monitor the learning progress of their students. To investigate the impact of this gamification training platform on students’ learning outcome and motivation in manufacturing shopfloor technologies and safety acts, a pilot study was conducted in AY2018 semester 2 for a total 134 students from 4 classes of digital & precision engineering diploma. It is found that gamification can be integrated effectively into manufacturing education to motivate students and enhance their learning effectiveness. Based on the collected data from the technical quizzes and satisfactory survey, the results showed that the integration of gamification into the classroom learning not only added a stimulating and captivating game-like layer to the learning experience of the students, but also provided a safe environment for students to learn without fear of making errors. Challenges faced in implementing this gamification training platform will also be discussed in this paper.

3CL^pro is the main protease of the novel coronavirus (SARS-CoV-2) responsible for their intracellular duplication. Based on virtual screening technology, we found 23 approved clinical drugs such as Carfilzomib, Saquinavir, Thymopentin and etc., which showed high affinity with the 3CL^pro active sites. These findings suggest that 3CL^pro inhibitors might be potential candidates for further activity detection and molecular modification.

Coronavirus disease 2019 (COVID-19) has been first appeared in Wuhan, China but its fast transmission, led to its widespread prevalence in various countries and make it a global concern. In addition, lack of a definitive treatment is another concern that needs to be attention. Researchers have come up with several options, which are not certain, but protease inhibitor and some antiviral agent are in the forefront. In this study a virtual screening procedure employing docking of different databases including 1615 FDA approved drugs was used to identify new potential small molecule inhibitors for protease protein of COVID-19. The docking result indicates that among all, simeprevir (Hepatitis C virus (HCV) NS3/4A protease inhibitor) could fit well to the binding pocket of protease and because of some other positive features including ADME profile, might be a helpful treatment option for COVID-19.

Molecular visualisation is fundamental in the current scientific literature, textbooks and dissemination materials, forming an essential support for presenting results, reasoning on and formulating hypotheses related to molecular structure. Visual exploration has become easily accessible on a broad variety of platforms thanks to advanced software tools that render a great service to the scientific community. These tools are often developed across disciplines bridging computer science, biology and chemistry. Here we first describe a few Swiss Army knives geared towards protein visualisation for everyday use with an existing large user base, then focus on more specialised tools for peculiar needs that are not yet as broadly known. Our selection is by no means exhaustive, but reflects a diverse snapshot of scenarios that we consider informative for the reader. We end with an account of future trends and perspectives.

Prototype of a family of at least nine members, c-src tyrosine kinase is a therapeutically interesting target, because its inhibition might be of interest not only in a number of malignancies, but also in a diverse array of conditions, from neurodegenerative pathologies to certain viral infections. Computational methods in drug discovery are considerably cheaper than conventional methods and offer opportunities of screening very large numbers of compounds in conditions that would be simply impossible within the wet lab experimental settings. We have explored the use of global QSAR models and molecular ligand docking in the discovery of new c-src tyrosine kinase inhibitors. Using a data set of 1038 compounds from ChEMBL and 19 blocks of molecular descriptors, we have developed over 200 QSAR classification models, based on six machine learning algorithms and 17 feature selection methods. We have selected 49 with reasonably good performance (positive predictive value and balanced accuracy higher than 70% in nested cross validation) and the models were assembled by stacking with a simple majority vote and used for the virtual screening of over the “named” ZINC data set (over 100,000 compounds). 744 compounds were predicted by at least 50% of the QSAR models as active, 147 compounds were within the applicability domain and predicted by at least 75% of the models to be active. The latter 147 compounds were submitted to molecular ligand docking using Vina and Ledock, and a number of 90 were predicted to be active based on the binding energy. External data from CHEMBL and PUBCHEM confirmed that at least 7.83% (in the case of QSAR) or 6.67% (in the case of integrated QSAR and molecular docking) of the compounds are active on the c-src target.

This article presents an in-depth review of Virtual Power Plant (VPP), its organization in the energy system and its prospects in the face of the promising future of the increasing bidirectional complexity exposed in the current scenario. A new paradigm for the operations of modern power distribution and transmission systems requires greater grid flexibility that is accompanying an extensive change in the structure of electricity markets, the fruit of the development of the renewable industry and of the growing photovoltaic systems popularized, but in contrast due to the intermittent nature cause variable uncertainties in the power system. Innovative concepts like VPP are becoming a reality, establishing an efficient and effective mechanism. The objectives and components are described in a comprehensive way, and some of the most important are pointed out and presented in detail to contribute with a description of the energy systems and the implicit research needed for sustainability and resilience in the eminent energy scenario with this technology. In addition, the literature and studies of this technology already indicate a direction of this new tool as a promising solution to manage the uncertainties of the renewable energies.

This review article explores the convergence of virtual reality (VR) and architectural design from an inclusive lens. It underscores the crucial role of virtual reality (VR) in serving as a catalyst for the incorporation of social and cultural sustainability principles in architectural projects. The exploration is guided by inclusive design principles, which encompass several aspects such as accessibility, cultural sensitivity, diversity and inclusivity, user-centered design, and empathy. These concepts serve as the basis for further investigation into the potential of virtual reality (VR) technology to enhance and heighten these features within architectural design, therefore promoting the progress of social and cultural sustainability. The review article highlights the profound impact that virtual reality (VR) may have, going beyond mere visualisation to generate architectural experiences that are immersive, interactive, and empathetic. These experiences are designed to take into account diverse perspectives and needs.

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.

Although proposition of “Virtual Reality” (VR) and “Augment Reality” (AR) can be traced back to the 60s, both areas are actually blooming in recent decades. Thanks to the latest deep learning techniques, an enormous advance in computer vision research community has taken place. Since VR and AR are highly related to computer vision tasks, these areas have enjoyed the benefits as well. Yet there is no sufficient survey on such impact and new research areas arising from it. This paper mainly focuses on the latest research progress in ACM Symposium on Eye Tracking Research & Applications (ETRA) 2019, as well as several recent representative paper works. It aims to figure out the influence of deep learning techniques on latest VR/AR research. Meanwhile, new issues have popped up with the development of VR and AR technology, such as privacy and computation efficiency. This paper draws attention to such newly produced topics as well. In addition, this paper also investigates on the effect of latest VR and AR techniques on people, such as level of teamwork in collaborative tasks, assistance and treatment to patients and the disabled, etc.

This article argues that despite a citation review is a rarely used research tool, this can be very useful to assess the impact of new research topics, both from the future research direction and the bibliometric perspectives. An explorative study is presented around the research area marked as Industry 4.0 with the conference paper mentioned in the title of this citation review. Even though the given reference paper is relatively recent, there are already twenty-seven citations listed among three different scholar databases. These are Google Scholar, ResearchGate and Semantic Scholar. In light of this, the article provides a bibliometric confirmation and analysis for the progression of the line of research adopted by de Giorgio et al. in the exploration of non-traditional methods using virtual reality technology and human-robot collaboration for adaptive applications in Industry 4.0. Furthermore, it represents a model for the authors’ self-development and an example of an unconventional approach to scientific work that may help improve related bibliometric research and scholar database strategies to index new articles and topics in the future.

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

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

Social media data is heavily used to analyze and evaluate situations in times of disasters, and derive decisions for action from it. A cruicial part of the analysis is to avoid unnecessary data retention during that process, in order to prevent subsequent abuse, theft or public exposure of collected datasets and thus, protect the privacy of social media users. There are a number of technical approaches out to face the problem. One of them is using a cardinality estimation algorithm called HyperLogLog to store data in a privacy-aware structure, that can not be used for purposes other than the originally intended. In this case study, we developed and conducted a focus group discussion with teams of social media analysts, in which we identified challenges and opportunities of working with such a privacy-enhanced social media data structure in place of conventional techniques. Our findings show that, with the exception of training scenarios, deploying HyperLogLog in the data acquisiton process will not distract the data analysis process. Instead, it will improve working with huge datasets due to the improved characteristics of the resulting data structure.

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.

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.

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

The visual perception of leisure spaces between residences in cold regions is important for public health. To compensate for the existing researches` lack of ignoring the cold snow season`s influence, this study selected two types of outdoor leisure space environments in non-snow and snow seasons as research objects. An eye tracker combined with a Semantic Difference (SD) questionnaire was used to verify the feasibility of the application of virtual reality technology, screen out leisure gaze characteristics, and reveal the environmental factors related to leisure visual perception. In snow season, spatial aspect ratio (SAR), building elevation saturation (BS), and grass proportion in the field of view (GP) showed strong correlation to the leisure visual perception scores (W). In non-snow season, apart from the above three factors, roof height difference (RHD), tall tree height (TTH) and color contrast (HC) also influenced W obviously. The effects of factors on W were revealed in immersive virtual en-vironment (IVE) orthogonal experiments and genetic algorithm (GA) and k-nearest neighbor algorithm (KNN) were combined to optimized the environmental factors. The optimized threshold ranges in the non-snow season environment were SAR: 1.82‒2.15, RHD: 10.81 m‒20.09 m, BS: 48.53‒61.01, TTH: 14.18 m‒18.29 m, GP: 0.12‒0.15, and HC: 18.64‒26.83. In the snow season environment, the optimized threshold ranges were SAR: 2.22‒2.54, BS: 68.47‒82.34, and GP: 0.1‒0.14.

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

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

The agricultural industry relies on physical fences to manage livestock. However, physical fences present some practical, financial, and ecological problems, that partly may be solved by virtual fencing. However, it is necessary for the livestock to be adapted to virtual fencing. This study aims to identify if adaptation to virtual fence can be improved through social facilitation between experienced cattle and the remaining herd. Moreover, which of the two different learning processes, a gradual or instant introduction to virtual fence is the most effective in associating warnings with impulses. Three pastures containing Angus (Bos taurus) will be used to examine these investigations; A, B and C. All investigations are conducted on the Danish Island of Fanø. Three methods of learning process were used, one gradual and two instant introductions to the virtual fence. The investigations had varying amounts of experienced cattle. Impulses and warnings were recorded during a learning period and the following observation period. To quantify if the cattle adapt to the warnings, impulses per warning are used. There was no evidence of improvement with the presence of experienced cattle for any pastures, indicating no social facilitation. Gradual introduction was found to be more beneficial than instant introduction. More standardized tests are necessary to discover the full effect of experienced cattle.

The shikimate pathway is crucial for the biosynthesis of aromatic amino acids in plants and represents a promising target for developing new herbicides. This work aimed to identify inhibitors of shikimate dehydrogenase (SDH), a key enzyme of the shikimate pathway that catalyzes the conversion of 3-dehydroshikimate to shikimate. Virtual screening and molecular docking were performed on the SDH active site of Arabidopsis thaliana (AtSDH), and 6-nitroquinazoline-2,4-diol (NQD) was identified as a potential inhibitor. In vitro assays showed that NQD decreased the activity of AtSDH by reducing Vmax while keeping KM unchanged, indicating noncompetitive inhibition. In vivo, hydroponic experiments revealed that NQD reduced the root length of soybean and maize. Additionally, NQD increased the total protein content and certain amino acids. Soybean roots uptake NQD more efficiently than maize roots. Furthermore, NQD reduced shikimate accumulation in glyphosate-treated soybean roots, suggesting its potential to restrict the flow of metabolites along the shikimate pathway in soybean. Simultaneous treatment of maize seedlings with glyphosate and NQD accumulated gallic acid in the roots, indicating that NQD inhibits SDH in vivo. Overall, the data indicate that NQD inhibits SDH both in vitro and in vivo, providing valuable insights into the potential development of herbicides targeting SDH.

Artificial intelligence (AI) agents are widely used in the retail and distribution industry, often in-corporating human-like elements such as possessing names and genders. This paper examines the influence of AI agent gender and brand concepts on trust and grounding within virtual brand spaces; exploring the correlation between user identification with AI agents and subsequent brand recommendations. The study revealed that in virtual brand spaces centered around a functional concept, male AI agents generated higher levels of trust than female AI agents, whereas, when focused on an experiential concept, female AI agents induced higher levels of grounding than male AI agents. Furthermore, this research indicates that the association between customers’ iden-tification with AI agents and recommendations for actual brand purchases is mediated by trust and grounding. These findings support the idea that users who strongly identify with AI agents are more inclined to recommend brand products after engaging in conversations within the virtu-al brand space.

This paper introduces an alternative method to design the path following controller of an under-actuated spherical mobile robot, which has a single pendulum structure its inside as a driving mechanism. The mechanism has an under-actuated problem; two inputs for the roll and pitch but no direct input for the yaw. In order to overcome this problem, the proposed method defines a virtual reference input for the heading direction. The virtual reference input works as a control input since it can be arbitrarily designed just like the reference input of a conventional system. The control scheme using the defined virtual reference input achieves the stabilization and path following control of the under-actuated spherical mobile robot without any additional control technique. The stability of the proposed control scheme is guaranteed by Lyapunov stability analysis, and simulation results are given to demonstrate its performance.

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

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.

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.

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.

Under the "dual carbon" target in China, virtual power plants (VPPs) play an important role in improving grid security and promoting clean and low-carbon energy transformation. VPPs can integrate and control distributed resources to participate in the energy market and make full use of distributed resources. However, the intermittency and volatility of renewable energy and the "heat-driven" working mode of CHP units create contradictions that seriously affect the peak-shaving ability of VPPs and lead to high carbon emissions. To solve these problems, this paper aggregates CHP units, wind power, photovoltaics, carbon capture, hydrogen energy storage, and electric boilers into a new type of virtual power plant. The "hydrogen energy storage-electric boiler" joint decoupling CHP working mode is used to strengthen the coupling relationship between electric-thermal-hydrogen load. At the same time, a tiered carbon trading mechanism is considered, with the net profit of the VPP as the optimization objective, balancing economic and environmental considerations. A low-carbon economic dispatch model for VPPs is established, and a genetic algorithm is used for optimization. Three different scheduling strategies are set, and simulations are conducted in three different seasonal scenarios. The results show that the net profit in the cooling season increased by 50.4%, and carbon emissions decreased by 42.3%. In the transitional season, the net profit increased by 39.2%, and carbon emissions decreased by 44.9%. In the heating season, the net profit increased by 19.4%, and carbon emissions decreased by 43.4%. Overall, the proposed dispatch strategy can improve the new energy consumption capacity and total revenue of VPPs while achieving the goal of reducing carbon emissions.

This study explored the incidence of metaphorical virtual classrooms and interactive learning objects in the interaction of students in online mode. The main objective was to analyze how these digital tools, driven by a set of strategies to promote their use, affect the interaction of students in the virtual classroom system and their derived effects. To this end, the latest version of Moodle was implemented in conjunction with gamification plugins and interactive tools in the higher education institution used as a case study. The methodology consisted of data collection through ordinal instruments applied to the teachers and student performance metrics gathered using a plugin developed to extract accurate metrics of each student's usage and performance through direct queries to the Moodle database and its processing through a neural network. This facilitated the collection of standardized data on the actual metrics of each virtual classroom at the end of the teaching of each subject from both the previous LMS and the newly implemented one. This data was then analyzed using advanced statistical techniques, including Mahalanobis distances, confirmatory factor analysis, and the Wilcoxon signed-rank test. These methods provided a compelling comparison between the old and new systems, revealing significant improvements in the metrics and factors evaluated. The results showed a significant improvement in teachers' perceptions of the usability of the virtual classroom system and an increase in students' academic performance, interaction, progress, and time spent learning in virtual contexts. These results provide solid empirical evidence of the added value of these educational tools as effective strategies for improving student interaction, performance, and motivation in online education.

Considering the harmful effects of cannabis on individuals with a severe mental disorder and the limited effectiveness of current interventions, this case report showcases the beneficial results of a 10-session Avatar intervention for cannabis use disorder (CUD) on a polysubstance user with a comorbid schizoaffective disorder. Virtual reality allowed the creation of an Avatar representing a person significantly related to the patient’s drug use. Avatar intervention for CUD aims to combine exposure, relational, and cognitive behavioral therapies while practicing real-life situations and learning how to manage negative emotions and cravings. Throughout therapy and later on, Mr. C managed to maintain abstinence from all substances. Also, an improvement in the severity of CUD as well as a greater motivation to change consumption, were observed after therapy. As observed by his mother, his psychiatrist, and himself, the benefits of Avatar intervention for CUD extended to other spheres of his life. The drastic results observed in this patient could be promising as an alternative to the current treatment available for people with a dual diagnosis of cannabis use disorder and psychotic disorder, which generally lack effectiveness. A single-blind randomized control trial comparing the treatment with a classical intervention in a larger sample is currently underway to evaluate whether the results are reproducible on a larger sample.

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

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

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

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

Social media has become more popular in the last few years. It has been used in public health development and healthcare settings to promote healthier lifestyles. Given its important role in today's culture, it is necessary to understand its current trends and future directions in public health. This review aims to describe and summarize how public health professionals have been using social media to improve population outcomes. Additionally, it discusses potential future directions on how social media can be used to improve population health. The findings showed how social media has been used as a tool for research, designing and implementing health campaigns, messaging, and health promotion. In addition, social media integration with Artificial Intelligence (AI) and Generative Pre-Trained transformers (GPT) can have a big impact and offer an innovative approach to tackle the problems and difficulties in health informatics. These innovations might improve patient participation, individualized assistance, and care experiences. The research showed how likely social media will keep growing and evolving and, if used effectively, have the potential to help close public health gaps across different cultures and improve population health.

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

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

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

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

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.

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.

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.

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.

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.

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.

There has been an increased focus on new technologies to monitor habitat use and behaviour of cattle, to develop a more sustainable livestock grazing system, without compromising animal welfare. The currently most used method for monitoring cattle behaviour is tri-axial accelerometer data from systems such as virtual fencing technology or bespoke monitoring technology. This method requires high frequency data, and as such, quickly drains contemporary systems of power making it unsuitable for long-term monitoring. In this paper, we explore the possibility of determining habitat preference and habitat utilisation patterns in cattle, using low frequency activity and location data. We do this by (1) calculating habitat selection ratios, (2) determining daily activity patterns and based on those, (3) inferring grazing and resting sites in a group of cattle wearing virtual fencing collars in a coastal setting with grey, wooded and decalcified dunes, humid dune slacks and salt meadows. We found that GPS data, and a measure of activity, combined with accurate mapping of habitats can be an effective tool in assessing habitat preference. The animals preferred salt meadows over the other habitats, with wooded dunes and humid dune slacks being the least preferred. We were able to identify daily patterns in activity. By comparing general trends in activity levels to existing literature, it was possible to somewhat infer resting and grazing behaviour in the different habitats. According to our inference of behaviour the herd predominantly used the salt meadows for resting and ruminating. The approach used in this study allowed us to use GPS location data for measuring the activity and combine it with accurate habitat mapping in a cheap and effective way, which can be an important tool for guiding management decisions.

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

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

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

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

With the widespread Application of Virtual Reality (VR) in education, optimizing foreign language learning in VR has become a focal point of research. This paper introduces a comprehensive theoretical framework (VR-CCL) based on constructivism and cognitive load theory to enhance foreign language learning in VR. Through a literature review, we explore the applications of VR in education, foreign language learning theories, and prior works on technology-assisted language learning. We further detail the three main components of the VR-CCL framework and validate its effectiveness through two case studies: Duolingo VR and Rosetta Stone VR. Finally, we discuss the strengths and limitations of the framework and its implications for educators and developers.

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.

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.

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.

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.

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)’.

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

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

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

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

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

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

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

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.

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.

A novel coronavirus (SARS-CoV-2) that is initially found to trigger human severe respiratory illness in Wuhan City of China in 2019, has killed 2,718 people in China by February 26, 2020, and which has been recognized as a public health emergency of international concern as well. And the virus has spread to more than 38 countries around the world. However, the drug has not yet been officially licensed or approved to treat SARS-Cov-2 infection. NSP12-NSP7-NSP8 complex of SARS-CoV-2, essential for viral replication and transcription, is generally regarded as a potential target to fight against the virus. According to the NSP12-NSP7-NSP8 complex (PDB ID: 6NUR) structure of SARS, two homologous models were established for virtual screening in the present study, namely NSP12-NSP7 interface model and NSP12-NSP8 interface model. Seven compounds (Saquinavir, Tipranavir, Lonafarnib, Tegobuvir, Olysio, Filibuvir, and Cepharanthine) were selected for binding free energy calculations based on virtual screening and docking scores. All seven compounds can combine well with NSP12-NSP7-NSP8 in the homologous model, providing drug candidates for the treatment and prevention of SARS-CoV-2.

Drug induced liver injury (DILI) remains one of the challenges in the safety profile of both authorized drugs and candidate drugs and predicting hepatotoxicity from the chemical structure of a substance remains a challenge worth pursuing, being also coherent with the current tendency for replacing non-clinical tests with in vitro or in silico alternatives. In 2016 a group of researchers from FDA published an improved annotated list of drugs with respect to their DILI risk, constituting “the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans”, DILIrank. This paper is one of the few attempting to predict liver toxicity using the DILIrank dataset. Molecular descriptors were computed with the Dragon 7.0 software, and a variety of feature selection and machine learning algorithms were implemented in the R computing environment. Nested (double) cross-validation was used to externally validate the models selected. A number of 78 models with reasonable performance have been selected and stacked through several approaches, including the building of multiple meta-models. The performance of the stacked models was slightly superior to other models published. The models were applied in a virtual screening exercise on over 100,000 compounds from the ZINC database and about 20% of them were predicted to be non-hepatotoxic.

G protein-coupled receptor 15 (GPR15, also known as BOB) is an extensively studied orphan GPCR involving HIV infection, colonic inflammation and smoking-related diseases. Recently, GPR15 was deorphanized and its corresponding natural ligand demonstrated an ability of inhibiting cancer cell growth. However, no study reported the potential role of GPR15 in a pan-cancer manner. Using large-scale publicly available data from the Cancer Genome Atlas (TCGA) and the Genotype-Tissue Expression (GTEx) databases, we found that GPR15 expression is significantly lower in colon adenocarcinoma (COAD) than in normal tissues. And among 33 cancer types, GPR15 expression is significantly correlated with the prognoses of COAD, neck squamous carcinoma (HNSC), lung adenocarcinoma (LUAD) positively and stomach adenocarcinoma (STAD) negatively. This study also revealed that commonly upregulated gene set in the high GPR15 expression group (stratified via median) of COAD, HNSC, LUAD and STAD are enriched in immune systems, indicating that GPR15 might be considered as a potential target for cancer immunotherapy. Furthermore, we modelled the 3D structure of GPR15 and conducted the structure-based virtual screening. The top 8 hits compounds were screened and then subjected to molecular dynamics (MD) simulation for stability analysis. Our study provided novel insights into the role of GPR15 in a pan-cancer manner and discovered a potential hit compound for GPR15 antagonists.

The Biginelli reaction is a highly versatile reaction, which leads to dihydropyrimidinones/thiones. This scaffold is reported as being a privileged structure due to its ability to interact with biological targets. Synthesis of ethyl 4-(2-fluorophenyl)-6-methyl-2-thioxo-1-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate was achieved through the Biginelli reaction using a functionalized thiourea. In silico studies demonstrated that the compound title showed good potential for interacting with ecto-5’-nucleotidase, which has been considered as a target in designs for anti-cancer drugs.

The dopamine D3 receptor is an important CNS target for the treatment of a variety of neurological diseases. Selective dopamine D3 receptor antagonists modulate the improvement of psychostimulant addiction and relapse. In this study, five and six featured pharmacophore models of D3R antagonists were generated and evaluated with the post-hoc score combining two survival scores of active and inactive. Among Top 10 models, APRRR215 and AHPRRR104 were chosen based on the coefficient of determination (APRRR215: R2training = 0.80; AHPRRR104: R2training = 0.82) and predictability (APRRR215: Q2test = 0.73, R2predictive = 0.82; AHPRRR104: Q2test = 0.86, R2predictive = 0.74) of their 3D-quantitative structure–activity relationship models. Pharmacophore-based virtual screening of a large compound library from eMolecules (> 3 million compounds) using two optimal models expedited the search process 100-fold speed increase compared to the docking-based screening (HTVS scoring function in Glide) and identified a series of hit compounds having promising novel scaffolds. After the screening, docking scores, as an adjuvant predictor, were added to two fitness scores (from the pharmacophore models) and predicted Ki (from PLSs of the QSAR models) to improve accuracy. Final selection of the most promising hit compounds were also evaluated for CNS-like properties as well as expected D3R antagonism.

In this paper, a method is developed for presenting a novel virtual torque sensor based on precise model and position measurements avoids the need of traditional strain gauges and amplifiers. More specifically, the harmonic drive compliance model and the Gaussian process regression (GPR) technique are used together to achieve virtual torque sensor measurement. While the harmonic drive compliance model provides the analytic part, the Gaussian process regression method is used to reconstruct the unmolded part based on motor-side and link-side joint angles as well as motor current. After an automatic offline calibration, the method allows for a lean online implementation. The virtual torque sensor measurement is compared with measurements of a commercial torque sensor, and the results have attested the effectiveness of the proposed method.

Human influenza A viruses (IAVs) cause global pandemics and epidemics. These viruses evolve rapidly, making current treatment options ineffective. To identify novel modulators of IAV-host interactions, we re-analyzed our recent transcriptomics, metabolomics, proteomics, phosphoproteomics, and genomics/virtual ligand screening data. We identified 713 potential modulators targeting 200 cellular and two viral proteins. Anti-influenza activity for 48 of them has been reported previously, whereas the antiviral efficacy of the remaining 665 is unknown. Studying anti-influenza efficacy, immuno-modulating properties and potential resistance of these compounds or their combinations may lead to the discovery of novel modulators of IAV-host interactions, which might be more effective than the currently available anti-influenza therapeutics.

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

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