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

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

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

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

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.

Lack of water resources in Iran, especially in recent years, has faced the agricultural sector as the most important consumer of water resources, with serious challenges. In Iran, the agricultural sector accounted for more than 90% of water consumption. However, the focus on domestic production and self-sufficiency policy in staples (wheat, barley, maize and rice) has been emphasized in general agriculture's policy. This study was conducted to estimate the imported virtual water from the imports of basic products in Iran using defined indicators during 1961-2013. Also this study investigated the possibility of achieving self-sufficiency due to the limited water resources in Iran. The results of this study showed with the increase in cereal imports, virtual water imports from 0.28 billion cubic meters in 1961 increased to 17.6 billion cubic meters in 2013 and on average about 60% of virtual water imports in strategic products is related to wheat imports during the past 53 years. Other products in cereal (barley, maize and rice) are also indicative of the general trend of increasing imports of virtual water in development plans. The estimated long-run elasticity of virtual water imports in the cereal group compared with the country's water resources also showed that with a one percent reduction in renewable water resources of the country, the virtual water import in the main cereal group will increase equivalent to 2.89 percent and the determination coefficient more than 90 percent also confirms this negative relationship. According to this result and the emphasis on the fact that renewable water resources per capita in the country is falling increasingly, it cannot be expected that domestic production could compensate for the imports of the cereal group and virtual water imports with current technology, without increasing the water productivity and without additional harm to water resources.

Music cultural heritage, as an important component of cultural heritage, possesses significant cultural value and inheritance significance. With the development of society and the passage of time, these precious traditional music cultural heritages inevitably face the dilemma of gradual depletion or even disappearance. In the digital age, effectively protecting and inheriting these music cultural heritages has become an urgent problem to be addressed. Therefore, this paper proposes an application method based on digital twin technology, exploring how to protect and inherit music cultural heritages through digital twin technology. By leveraging digital twin technology, a virtual museum dedicated to showcasing the richness and historical connotations of music cultures is created, preserving and simulating the soundscapes of historical music eras. Through the integration of audio archives, 3D modeling, and interactive displays, users can immerse themselves in the experience of historical music in the digital space. This paper evaluates the feasibility and cultural preservation value of this digital music history museum through the creation of music digital twin technology instances and user survey feedback, and discusses the prospects of digital twins in the field of music cultural heritage.

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.

The World Health Organization (WHO) documents malaria as one of the leading causes of high morbidity and mortality worldwide. The disease affects millions and kills thousands of people annually. Efforts to reduce the global burden of malaria have prompted WHO to recommend prevention strategies like using anti-malarial drugs. However, these strategies have been ineffective because of anti-malarial drug resistance. The only efficacious malaria treatment is Artemisinin-based Combination Therapy (ACT). However, the extended ACTs clearance times, linked to the emergence of artemisinin monotherapy resistance recorded most recently in Africa and the Great Mekong region, pose a danger to its efficacy. Therefore, better efficacious malaria drugs are required. Since P. falciparum heat shock protein 90 (PfHsp90) is a well-characterized malaria drugs target, this study uses it to discover more efficacious malaria drugs. An in-silico approach was used to discover PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria using molecular dynamics simulation (MDS) and hierarchical virtual screening. Geldanamycin (GDM), a well-known anti-PfHsp90 compound, was used to identify PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria by screening it against the ZINC database via the ZINCPHARMER web server. This virtual screening process resulted in 17 hits. These ZINCPHARMER hits were subjected to drug-likeness and pharmacokinetics properties analysis in the SwissADME web server, and 9 of them satisfied the requirements. The 9 ZINC compounds were docked with PfHsp90 using the PyRx software to understand their interactions. From the molecular docking results, ZINC09060002 (-8.2 kcal/mol), ZINC72133064 (-7.8 kcal/mol), ZINC72163401 (-7.7 kcal/mol), ZINC72358537 (-8.1 kcal/mol), and ZINC72358557 (-7.6 kcal/mol) had better binding affinities to PfHsp90 than GDM (-7.5 kcal/mol). The stability of these molecularly docked protein-inhibitor complexes was assessed through MDS using GROMACS 2022. ZINC72163401, ZINC72358537, and ZINC72358557 formed stable complexes with PfHsp90. The lead compounds were subjected to in vitro validation for their inhibitory capability. They showed promising inhibition of parasite growth with IC50 values ranging between 200 – 400 ng/ml. In this regard, the three PfHsp90 inhibitors can be used as anti-malarial drugs. However, further structural optimization studies and clinical (in vivo) tests are necessary to ascertain the antimalarial activity of these compounds in humans.

Lateral vehicle control is a high importance in automated vehicles as it directly influences the vehicle’s performance and safety during operation. The Linear Quadratic Regulator (LQR) controller stands out due to its high-performance characteristics and is used in the open source for self driving functions. However, a notable limitation of the current approach is the manual calibration of LQR controllers based on the experience and intuition of the designers, leading to empirical uncertainties. To address this issue and enhance the lateral control performance, this paper concentrates on refining the LQR by employing three optimization algorithms: Artificial Bee Colony Optimization (ABC), Genetic Algorithm (GA), and Particle Swarm Optimization (PSO). These algorithms aim to overcome the reliance on empirical methods and enable a data-driven approach to LQR calibration. By comparing the outcomes of these optimization algorithms to the manual LQR controller within an offline multibody simulation as testing platform, the study highlights the superiority of the best-performing optimization approach. Following this, the optimal algorithm is implemented on a real-time system for the full vehicle level, revealing the Model-in-the-Loop and the Hardware-in-the-Loop gap up to 78,89% with lateral velocity when we use Relative Error Criterion (REC) method to validate and 2.35m with lateral displacement when considering by maximum absolute value method.

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.

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

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.

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

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

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

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

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

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

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

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.

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

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

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

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

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.

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

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

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

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

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

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.

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.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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.

In this paper, we propose a method for the generation of simulation test scenarios for autonomous driving. Based on the requirements of standard regulatory test scenarios, we can generate virtual simulation scenarios and functional scenario libraries for autonomous driving, which can be used for simulation verification of different ADAS functions. Firstly, the design operation domain (ODD) of the functional scenario is selected and the weight values of the ODD elements taken are calculated; then a combination test algorithm based on parameter weights is improved to generate autonomous driving virtual simulation test cases for the ODD elements, which can effectively reduce the number of generated test cases compared with the traditional combination test algorithm; then the traffic participant elements under each test case are Then, the values of the subelements under the traffic participant element in each test case are sampled and clustered to obtain hazard specific scenarios. Finally, the specific scenarios are applied to the automatic emergency braking (AEB) system on the model-in-the-loop (MIL) testbed to verify the effectiveness of this scenario generation method.

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.

Among the leading immersive technologies, Augmented Reality is one of the most promising and empowering to support designers in production environments. This research investigates the application of mobile augmented reality, based on the Web, as a mediation tool focused on cognitive activities of reading and understanding of Technical Drawings in the production and assembly for Tailor Made projects of the scenographic industry. In this context, the research presents a method to use the WebAR to improve the reading of technical drawings, seeking efficiency on the visualization of models and the exchange of information between professionals, involved in the processes of design, production and assembly of products, in the scope of scenography. This mediation tool was developed using Web AR platforms, compatible with native libraries (ARCore and ARKit) to ensure, first, compatibility with commonly used devices that workers or businesses can access, and secondly, to leverage hybrid tracking techniques that combine vision and sensors to improve the reliability of augmented reality viewing. The proposed solution adopts multiple tracking and navigation techniques in order to expand Space Skills components to provide greater exploratory freedom to users. The research process took place in the light of the Design Science Research Methodology and the DSR-Model, since it aimed to develop a solution to a practical problem, as well as to produce knowledge from this process. Field experiments were conducted in two real companies, with end users on their respective mobile devices, in order to evaluate usability and behavioral intent, through the Acceptance, Intent and Use of Technology questionnaires; and perceived mental workload, NASA-TLX. The experimental results show that the adoption of this tool reduces the cognitive load in the process of reading technical drawings and project´s understanding. In general, it´s usability and intent to use provide significant levels of satisfaction, being positively accepted by all participants involved in the study.

Acute myocardial infarction (AMI) is a leading cause of morbidity and mortality worldwide. This study aimed to test the efficacy of a newly-developed symptom self-management program on health outcomes among inpatients post-AMI. A pilot randomised, controlled trial was utilised. A convenience sample of 90 was recruited from a tertiary hospital in Singapore. Adult inpatients with post-AMI were randomly assigned to the three groups: IManage-HSet, IManage-FF or control group. Sample size was computed using power analysis. Data were collected through self-reported questionnaires and physiological instruments. Data analyses included univariate statistics, analysis of variance and repeated measure analysis of variance. Ninety participants were recruited with 30 in each group. Participants in the IManage-HSet and IManage-FF group had significantly greater relaxation (ηp2 = 0.11), lower objective stress (ηp2 =0.14), and greater knowledge (ηp2 = 0.62) than those of the control group. The two intervention groups had lower subjective stress (ηp2 = 0.04), depression (ηp2 = 0.01), and anxiety (ηp2 = 0.03) than the control but such differences did not achieve statistical significance. Furthermore, most participants reported that they were satisfied with the programs and they provided positive comments on the contents, educational materials and relaxation practice. This pilot study supports the potential benefits and feasibility of the IManage-VR and IManage-FF interventions on stress, perceived relaxation, knowledge and patient satisfaction. Contents of the symptom management interventions could be added into current cardiac rehabilitation programs. Future RCTs with multi-centered sites and larger sample size are required to further test the intervention. This study was prospectively registered with the International Standard Randomised Controlled Trial on the 5th August 2014 with registration number ISRCTN61027816.

Recent digital transformations have significantly impacted the current society, economy, and culture. This includes adoption of rapidly emerging technologies, such as artificial intelligence (AI), immersive technology (e.g., virtual, augmented, mixed and extended reality (VR/AR/MR/XR)), cloud services, and internet of things, in our day-to-day life. `Metaverse’ has emerged as a technology that incorporates many of these transforming technologies to deliver personalised immersive experience related to specific application areas. A potential major beneficiary of Metaverse is the educational ecosystem, where highly immersive learning experiences can be delivered to students, catering to their personal learning needs and train them on life skills such as empathy, ethical qualities, and communication skills. The present-day Metaverse allows physical engagement, enabling users to utilise limb movements to interact with the presented materials. However, ethical concerns and technical limitations impede the widespread implementation of the Metaverse in the real-world. This paper provides a comprehensive survey of the existing literature covering the architecture, type and components of Metaverse, followed by practical aspects of metaverse implementation. The paper is concluded by discussing on the open challenges and issues along with their mitigation strategies and future research directions after the detailed usecase of Metaverse in Education.

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

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

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.

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

Streptococcus mutans is well known for having virulence factors associated with its cariogenic role, such as glucosyltransferases, which have been used as targets for the virtual screening of molecules with inhibitory capacity. The Antigen I/II of S. mutans is involved in the adhesion to the surface of the tooth and the bacterial co-aggregation in the biofilm formation, despite that, this protein has not been used as a target in a virtual strategy search for inhibitors. In this study we identified in silico and evaluated in vitro molecules with adhesion inhibitory potential on S. mutans Ag I/II. A virtual screening of 883,551 molecules was conducted, cytotoxicity analysis on fibroblast cells, S. mutans adhesion studies, scanning electron microscopy analysis for bacterial integrity, and molecular dynamics simulation were also performed. We have found three molecules (ZI-187, ZI-939, ZI-906) that were not cytotoxic and inhibited the adhesion of S. mutans to polystyrene microplates. Molecular dynamic simulation by 300 nanoseconds showed stability of the interaction between ZI-187 and Ag I/II (PDB: 3IPK). This work provides three new molecules that targets Ag I/II and have the capacity to inhibit in vitro the S. mutans adhesion on polystyrene microplates and provides a new computational line for the search and selection of safe inhibitory molecules against different pathogens.

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.

Wireless Sensor Networks (WSNs) has the characteristics of large-scale deployment, flexible networking, and wide application. It is an important part of the wireless communication networks. However, due to limited energy supply, the development of WSN is greatly restricted. Wireless Rechargeable Sensor Networks (WRSNs) transform the distributed energy around the environment into usable electricity through energy collection technology. In this work, a joint optimization strategy is proposed to improve the energy management efficiency for WRSNs. The joint optimization strategy is divided into two phases. In the first phase, we design an Annulus Virtual Force based Particle Swarm Optimization (AVFPSO) algorithm for area coverage planing. It adopts the multi-parameter joint optimization method to improve the efficiency of the algorithm. In the second phase, a Queuing Game-based Energy Supply (QGES) algorithm is designed for energy scheduling. It converts energy supply and consumption into network service. By solving the game equilibrium of the model, the optimal energy distribution strategy can be obtained. The simulation results show that our scheme improves the efficiency of coverage and energy, and extends the lifetime of WSN.

We use state-of-the-art computer-aided drug design (CADD) techniques to identify prospective inhibitors of the main protease enzyme, M^pro of the COVID-19 virus. With the high-resolution X-ray crystallography structure of this viral enzyme recently being solved, CADD provides a veritable tool for rapidly screening diverse sets of compounds with the aim of identifying ligands capable of forming energetically favorable complexes with M^pro . From our screening of 1,082,653 compounds derived from the ZINC, the DrugBank, and our in-house African natural product libraries, and a rescreening protocol incorporating enzyme dynamics via ensemble docking, we have been able to identify a range of prospective M^pro inhibitors, which include FDA-approved drugs, drug candidates in clinical trials, as well as natural products. The top-ranking compounds are characterized by the presence of an extended ring system combined with functional groups that allow the ligands to adapt flexibly to the M^pro active site as, for example, present in the biflavonoid amentoflavone, one of the most promising compounds identified here. This particular chemical architecture leads to considerable stronger binding than found for reference compounds with in vitro demonstrated M pro inhibition and anticoronavirus activity. The compounds determined in this work thus represent a good starting point for the design of inhibitors of SARS-CoV-2 replication.

Coronavirus Disease 2019 (Covid-19) was first described in December 2019 in Wuhan, Hubei Province, China; and produced by a novel coronavirus designed as the acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Covid-19 has become a pandemic reaching over 1.3 million confirmed cases and 73,000 deaths. Several efforts have been done to identify pharmacological agents that can be used to treat patients and protect healthcare professionals. The sequencing of the virus genome not only has offered the possibility to develop a vaccine, but also to identified and characterize the virus proteins. Among these proteins, main protease (M^pro) has been identified as a potential therapeutic target, since it is essential for the processing other viral proteins. Crystal structures of SARS-CoV-2 M^pro and inhibitors has been described during the last months. To describe additional compounds that can inhibit SARS-CoV-2 M^pro, in this study we performed a molecular docking-based virtual screening against a library of experimental and approved drugs. Top 10 hits included Pictilisib, Nimorazole, Ergoloid mesylates, Lumacaftor, Cefuroxime, Cepharanhine, and Nilotinib. These compounds were predicted to have higher binding affinity for SARS-CoV-2 M^pro than previously reported inhibitors for this protein, suggesting a higher potential to inhibit virus replication. Since the identified drugs have both pre-clinical and clinical information, we consider that these results may contribute to the identification of treatment alternative for Covid-19. Nevertheless, in vitro and in vivo confirmation should be performed before these compounds could be translated to the clinic.

Generator automatic voltage control device (AVC) is an automatic voltage and reactive power optimization control terminal on the power plant side. Aiming at improving the performance of generator automatic voltage control device, this paper introduces a detection method of AVC substation performance based on virtual dispatching terminal environment. During the testing, the upper computer of redundant power plant is connected to the virtual dispatching terminal environment to simulate the sending instructions of AVC master station, the behavior of AVC sub stations and the excitation system of generators. The performance of AVC substation is evaluated according to the feedback adjustment results, which can effectively detect the abnormal behavior of AVC substation in power plant.

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.

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.

Fractional flow reserve (FFR) is well recognized as a gold standard measure for the estimation of functional coronary stenosis. Technological progressions in image processing have empowered the reconstruction of three-dimensional models of the coronary arteries via both non-invasive imaging modalities, such as Coronary Computed Tomography Angiography (CCTA), and invasive coronary angiography or intravascular imaging. The application of computational fluid dynamics (CFD) techniques to coronary 3D anatomical models allows the virtual evaluation of the hemodynamic significance of a coronary lesion with high diagnostic accuracy in comparison to the invasive FFR using pressure wires. These opportunities providing hemodynamic information based on anatomy have given rise to a new era of functional angiography and coronary imaging. However, further validations are needed to overcome several scientific and computational challenges before these methods are applied in everyday clinical practice. This review aims to present all the data on the studies and methodologies that have been presented for the virtual estimation of FFR, and the diagnostic execution of the virtual tools for the hemodynamic assessment of coronary lesions compared to the invasive FFR.