Search Results (29)

Background: Malaria remains a significant global health burden, particularly in sub-Saharan Africa, accounting for high rates of illness and death. The growing resistance to frontline antimalarial therapies underscores the urgent need for novel drug targets and therapeutics. Bromodomain-containing proteins, which regulate gene expression through chromatin remodeling, have gained attention as potential targets. Plasmodium falciparum bromodomain protein 1 (PfBDP1), a 55 kDa nuclear protein, plays a key role in recognizing acetylated lysine residues and facilitating transcription during parasite development. Methods: This study investigated ex vivo PfBDP1 gene mutations and identified potential small molecule inhibitors using computational approaches. Malaria-positive blood samples were collected. Genomic DNA was extracted, assessed for quality, and amplified using PfBDP1-specific primers. DNA sequencing and alignment were performed to determine single-nucleotide polymorphism (SNP). Structural modeling used the PfBDP1 crystal structure (PDB ID: 7M97), and active site identification was conducted using CASTp 3.0. Virtual screening and pharmacophore modeling were performed using Pharmit and AutoDock Vina, followed by ADME/toxicity evaluations with SwissADME, OSIRIS, and Discovery Studio. GROMACS was used for 100 ns molecular dynamics simulations. Results: The malaria prevalence rate stood at 12.24%, and the sample size was 165. Sequencing results revealed conserved PfBDP1 gene sequences compared to the 3D7 reference strain. Virtual screening identified nine lead compounds with binding affinities ranging from −9.8 to −10.7 kcal/mol. Of these, CHEMBL2216838 had a binding affinity of −9.9 kcal/mol, with post-screening predictions of favorable drug-likeness (8.60), a high drug score (0.78), superior pharmacokinetics, and a low toxicity profile compared to chloroquine. Molecular dynamics simulations confirmed its stable interaction within the PfBDP1 active site. Conclusions: Overall, this study makes a significant contribution to the ongoing search for novel antimalarial drug targets by providing both molecular and computational evidence for PfBDP1 as a promising therapeutic target. The prediction of CHEMBL2216838 as a lead compound with favorable binding affinity, drug-likeness, and safety profile, surpassing those of existing drugs like chloroquine, sets the stage for preclinical validation and further structure-based drug design efforts. These findings are supported by prior experimental evidence showing significant parasite inhibition and gene suppression capability of predicted hits. Full article

The need for scalable, immersive training systems is universal and recently has been included in fields that rely on complex, hands-on processes, such as surgery operations, assembly operations, construction processes training, etc. This paper examines the potential to support immersive training via digital tool manipulation in the domain of traditional handicrafts. The proposed methodology employs Finite Element Method simulations to compute material transformations and apply them to interactive virtual environments. The challenge is to accurately simulate human–tool interactions, which are critical to the acquisition of manual skills. Using Simulia Abaqus (v.2023HF2), crafting simulations are authored, executed, and exported as animation sequences. These are further refined in Blender (v3.6) and integrated into Unity to create reusable training components called Action Animators. Two software applications—Craft Studio (v1.0) and Apprentice Studio (v1.0)—are designed and implemented to enable instructors to create training lessons and students to practice and get evaluated in virtual environments. The methodology has wide-ranging applications beyond crafts, offering a solution for immersive training in skill-based activities. The validation and evaluation of the proposed approach suggest that it can significantly improve training effectiveness, scalability, and accessibility across various industries. Full article

Since architectural education has been integrated into academic campuses, the design studio has become its most prominent pedagogical approach. However, in the last three decades, advances in computer-aided design (CAD) and online communication led to the development of virtual design studio (VDS) formats, which gained prominence during the COVID-19 pandemic. VDS and physical design studio (PDS) are characterized by different sociomaterial environments, each offering unique learning opportunities. This study examines how these environments influence learning processes, analyzing two desk critique sessions—one conducted in a VDS and the other in a PDS. Our data, comprising video recordings and on-site observations, were analyzed and interpreted through a sociomaterial lens. The findings indicate that PDS facilitates more spontaneous interactions, allowing for the communication of complex ideas and better addressing misunderstandings compared to VDS, which is constrained by the limitations of digital communication platforms. This research provides both theoretical and pedagogical contributions. Theoretically, it demonstrates how architectural concepts emerge through sociomaterial interactions, framing architectural learning as material practice. In addition, it illustrates the role of sociomaterials in communicating complex ideas and shaping collaborative learning processes. Pedagogically, the findings emphasize the importance of creating rich sociomaterial environments that effectively support intended learning processes. Full article

This article presents the results of applied research focused on the development of a hybrid software solution, which is based on the ABB RobotStudio 2021 suite, because even in the latest version, RobotStudio 10 does not have a dedicated virtual commissioning module. The aim of the study is to explore the potential communication capabilities between ABB RobotStudio and Siemens Simatic Robot Integrator and to unify control systems for performing virtual commissioning tasks. The proposed solution offers valuable procedures for any end user responsible for implementing robotic cell virtual commissioning tasks and ensures the compatibility between hardware and software components from ABB and Siemens manufacturers integrated into any robotic cell type. Siemens, one of the leading PLC manufacturers, offers the complex PLM platform Process Simulate, which can be integrated with the Totally Integrated Automation (TIA) Portal and Mechatronics Concept Designer (MCD) for developing virtual commissioning (VC) applications. The TIA Portal is recognized by robotics application integrators as the most efficient work environment for VC. However, there is currently no direct compatibility between the ABB RobotStudio (RS) platform and Siemens TIA Portal. To address integration challenges, Siemens has introduced the Simatic Robot Integrator (SRI) platform, which ensures compatibility with certain proprietary software from various robot manufacturers, including KUKA, Motoman, and Staubli. While Siemens has collaborated with manufacturers like KUKA and Kawasaki, major industry manufacturers such as ABB and Fanuc have yet to establish a standardized interface within the Siemens SRI platform. A mathematical model was also developed, which serves as a key perspective and a valuable tool for the future integration of double-portal-type robots into the working environments of ABB and Siemens. This integration aims to facilitate virtual commissioning in scenarios where such robots need to be implemented. Currently, ABB’s library does not include double-portal-type robots, despite the fact that leading manufacturers of double-portal robot types utilize ABB’s IRC5 controllers. Full article

Objective: To assess the accuracy of three-dimensional (3D) printed one-piece vs. multiple segmented transfer trays for indirect bonding techniques in moderate and severe crowding cases. Methods: Eighty digital maxillary dental models were produced by an extraoral scanner. 3D-printed one-piece and segmented trays were virtually designed utilizing Maestro 3D Ortho Studio^® v4 and printed using a NextDent printer. The sample was classified into two groups: Group 1 (moderate crowding) included 40 digital models with a space deficiency of 6–7 mm, and Group 2 (severe crowding) included 40 digital models with a space deficiency of 10 mm. Ortho classic brackets were then placed into the 3D printed models with the aid of the transfer trays, and the models with the final bracket positioning were scanned using iTero scanner. Four measurements were selected on each tooth to perform the analysis. Mann–Whitney and Kruskal–Wallis tests were used for comparisons. A p-value of ≤ 0.05 was considered statistically significant. Results: In the moderate crowding group, statistically significant differences were detected between the one-piece, segmented, and control groups for three measurements (p < 0.001), while the rest of the measurements showed no significant differences (p > 0.05). In the severe crowding group, no significant differences were detected for any of the measurements. Conclusions: One-piece and segmented 3D-printed transfer trays are considered accurate tools for indirect bonding in moderate and severe malocclusion cases. The severity of crowding did not affect the accuracy of bracket transfer in indirect bonding. Full article

During the transition from Industry 4.0 to Industry 5.0, industrial robotics technology faces the need for intelligent and highly integrated development. Metaverse technology creates immersive and interactive virtual environments, allowing technicians to perform simulations and experiments in the virtual world, and overcoming the limitations of traditional industrial operations. This paper explores the application and evolution of metaverse technology in the field of industrial robotics, focusing on the realization of virtual–real integration and human–machine collaboration. It proposes a design framework for a virtual–real interaction system based on the ROS and WEB technologies, supporting robot connectivity, posture display, coordinate axis conversion, and cross-platform multi-robot loading. This paper emphasizes the study of two key technologies for the system: virtual–real model communication and virtual–real model transformation. A general communication mechanism is designed and implemented based on the ROS, using the ROS topic subscription to achieve connection and real-time data communication between physical robots and virtual models, and utilizing URDF model transformation technology for model invocation and display. Compared with traditional simulation software, i.e., KUKA Sim PRO (version 1.1) and RobotStudio (version 6.08), the system improves model loading by 45.58% and 24.72%, and the drive response by 41.50% and 28.75%. This system not only supports virtual simulation and training but also enables the operation of physical industrial robots, provides persistent data storage, and supports action reproduction and offline data analysis and decision making. Full article

With the rapid development and construction of urban subways, various risks associated with human health and wellbeing within subway microenvironments have seriously increased. However, only a few intelligent systems have been validated as suitable for facilitating the management of subway environments. Field tests can be time-consuming and inefficient, and questionnaires often lack true intuitiveness for participants. Therefore, to enhance subway environment management, this study proposed intelligent systems that integrate building information modeling (BIM) and virtual reality (VR) for managing health risks in urban subway microenvironments. The systems were developed using Revit 2021, Navisworks 2020, Unity 2019, MYSQL 8.0, and Visual Studio 2019. Additionally, they were applied in scenarios for environmental assessment and passenger coping capability enhancement, differentiated into an expert visual-based health risk assessment system and a gamified simulation system for passenger risk prevention. The feasibility of the approach was validated with the case of Xinzhuang subway station of Line 3 in Nanjing, China. The findings revealed that the assessment system enabled experts to have a better and straight understanding of subway microenvironmental health risks and the gamification simulation system significantly enhanced the passengers’ coping capacity. The integration of BIM and VR, with its design features such as visibility, optimization, and simulation, compensated for BIM’s lack of providing an immersive experience for systems. The intelligent systems introduced in this study present novel models for environmental assessment and passenger training, catering to both subway operators and researchers. The innovative systems serve as a cornerstone in guaranteeing the health and safety of public transportation operations. Full article

In architectural education, the integration of Extended Reality (XR) technologies—including Virtual Reality (VR), Augmented Reality (AR), and Mixed Reality (MR)—promises to revolutionise design studio teaching by offering immersive and interactive learning experiences. However, the broad adoption of XR in architectural education faces significant obstacles. These problems include a skills gap between students and educators, the challenge of establishing suitable simulation and experimental environments for specific educational needs, and the complexities of integrating these technologies into traditional curricula. This research aims to advance the pedagogical understanding of the value XR tools and techniques offer within an architectural design education context that engages students, teachers, and faculty members in a collective exploration of XR technologies. The study specifically focuses on integrating XR into the design studio’s final review stage to enhance reviewer engagement and ensuing student learning outcomes, thereby transforming architectural design studio education. Utilising a Participatory Action Research (PAR) methodology, the study established an XR learning environment and created a collaborative review framework within a Master of Architecture programme. A mixed-methods strategy was employed for data collection to assess the impact of XR applications on design processes, review experiences, and learning outcomes. This strategy included creating digital prototypes of XR applications, followed by user testing to gather both qualitative feedback and quantitative performance data. In the practical implementation section, this article provides information on the applications that were developed for specific educational needs to create simulated and experimental environments. The focus is not only on the design of these applications but also on their ability to allow students to communicate with reviewers and audiences about their design projects. The findings indicate that XR technologies have the potential to enhance students’ engagement by improving visualisation capabilities and bridging the gap between theoretical and practical aspects of architectural design. This study underscores the potential of XR technologies to transform architectural education, suggesting a framework for their integration into design studios. It contributes to the pedagogical discourse by providing insights into effective XR-based teaching methodologies and setting a foundation for future innovations and technology integration into architectural learning. Full article

The inhibition of O-acetyl sulphydrylase synthase isoforms has been reported to represent a promising approach for the development of antibiotic adjuvants. This occurs via the organism developing an unpaired oxidative stress response, causing a reduction in antibiotic resistance in vegetative and swarm cell populations. This consequently increases the effectiveness of conventional antibiotics at lower doses. This study aimed to predict potential inhibitors of Salmonella typhimurium ortho acetyl sulphydrylase synthase (StOASS), which has lower binding energy than the cocrystalized ligand pyridoxal 5 phosphate (PLP), using a computer-aided drug design approach including pharmacophore modeling, virtual screening, and in silico ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) evaluation. The screening and molecular docking of 4254 compounds obtained from the PubChem database were carried out using AutoDock vina, while a post-screening analysis was carried out using Discovery Studio. The best three hits were compounds with the PubChem IDs 118614633, 135715279, and 155773276, possessing binding affinities of −9.1, −8.9, and −8.8 kcal/mol, respectively. The in silico ADMET prediction showed that the pharmacokinetic properties of the best hits were relatively good. The optimization of the best three hits via scaffold hopping gave rise to 187 compounds, and they were docked against StOASS; this revealed that lead compound 1 had the lowest binding energy (−9.3 kcal/mol) and performed better than its parent compound 155773276. Lead compound 1, with the best binding affinity, has a hydroxyl group in its structure and a change in the core heterocycle of its parent compound to benzimidazole, and pyrimidine introduces a synergistic effect and consequently increases the binding energy. The stability of the best hit and optimized compound at the StOASS active site was determined using RMSD, RMSF, radius of gyration, and SASA plots generated from a molecular dynamics simulation. The MD simulation results were also used to monitor how the introduction of new functional groups of optimized compounds contributes to the stability of ligands at the target active site. The improved binding affinity of these compounds compared to PLP and their toxicity profile, which is predicted to be mild, highlights them as good inhibitors of StOASS, and hence, possible antimicrobial adjuvants. Full article

Virtual reality (VR) technology has attracted the attention of architectural practitioners due to its ability to allow people to interact with proposed design elements through unique and immersive experiences. This study aims at providing a bottom-up decision-making approach, using VR technology for inhabitant engagement in the design process of historic urban district renovation to preserve local culture, improve community interaction, and replace printed paper use for review. The study focuses on the Tangzixiang district in the Anhui province, providing Scheme 1 with a traditional architectural style and Scheme 2 with a modern architectural style for the renovation. The schemes are developed in a VR environment in both smooth movement mode and node-based movement mode. A total of 62 inhabitants and 10 architecture practitioners finished the VR experience, and the survey-based results indicate that VR quality can satisfy the requirements of practitioners in a professional review. In the inhabitants’ view, Scheme 1, with a traditional architectural style, is identified as being more effective in preserving local culture. The scheme is improved by the design studio after the survey, based on the questionnaire results and comments. Notably, 56 participants scored five, indicating their agreement with the notion that VR enhances their engagement in the design stage. The effectiveness of the VR technology in the bottom-up decision-making process has proven to offer inhabitants opportunities to participate. This study demonstrates how this level of immersive experience in VR environments has the potential to be applied in more projects, aiding clients in better understanding design intent and helping them make more informed decisions early in the design process. Full article

In the past few years, higher education across the world transitioned to different online platforms where virtual classrooms were set, following national guidelines during the COVID-19 pandemic. This paper analyses qualitative data from first-year students in architecture from a higher education institution in the UK and draws on lecturers’ reflective observations of teaching during the COVID-19 pandemic. The findings of this research provide some critical considerations for the long-term impact of the virtual design studio on architectural design pedagogy and teaching methods in first-year studies. This research found that technology integration enabled innovative design methods, improved digital literacy, and enhanced collaboration in first-year architectural education. While online learning met learning objectives, it posed challenges like social isolation and motivation issues. The study underscores the importance of investigating virtual design studios and technology integration in early architectural education, offering opportunities for curriculum development and future research. These findings have broad relevance for educators teaching first-year architecture students globally. Full article

In recent years, there has been an expansion in the development of simulators that use virtual reality (VR) as a learning tool. In surgery where robots are used, VR serves as a revolutionary technology to help medical doctors train in using these robotic systems and accumulate knowledge without risk. This article presents a study in which VR is used to create a simulator designed for robotically assisted single-uniport surgery. The control of the surgical robotic system is achieved using voice commands for laparoscopic camera positioning and via a user interface developed using the Visual Studio program that connects a wristband equipped with sensors attached to the user’s hand for the manipulation of the active instruments. The software consists of the user interface and the VR application via the TCP/IP communication protocol. To study the evolution of the performance of this virtual system, 15 people were involved in the experimental evaluation of the VR simulator built for the robotic surgical system, having to complete a medically relevant task. The experimental data validated the initial solution, which will be further developed. Full article

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 a focus of attention from small laboratories to the industrial scale. Here, the Czerny Turner configuration-based optical spectrometer simulation design was carried out using ZEMAX OpticStudio. A compact and low-cost optical spectrometer in the visible range was developed by using diffraction grating as a dispersive element and a 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 display techniques were made possible. We 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 demonstrated that the OpticStudio-based spectrometer and experimental measurements with the developed spectrometer were in good agreement. Full article

In recent years, researchers in the architecture field have explored VR technology for various purposes in the architectural design process. Current efforts have supported the growing knowledge of VR utilization, specifically for the architectural design review process. In this study, we adapt the affordance concept from the ecological psychology study to add further evidence on VR utilization for the design review process. This study aims to develop an affordance-based design review method in architectural design by utilizing immersive VR technology. It sits at the crossroads of architecture design, virtual reality, and affordance research. This project aimed to create an affordance-based review method framework, a VR system to support the method, test both the method and the VR system, and assess the VR system’s effectiveness as a companion system for the affordance-based design method process. The study was conducted in the scope of architectural education settings only. It used a third-year architectural design studio course as a case. This study confirms that the affordance-based design review method using virtual reality helps students improve their design work. The method reveals the presence of positive and negative affordances in their work. It also shows the differences between a student and supervisor in perceiving the affordances for reviewing design works. Full article

Urban design studio education aims to prepare future urban designers to more effectively understand how cities work and critically engage with the role of design intervention in the built environment. A design studio is an appropriate setting where this can take place. This paper details the design and delivery of a postgraduate urban design studio subject in the MA Urban Design programme at Cardiff University during the COVID-19 pandemic in the UK. We particularly investigate the capacities and challenges of blended learning and teaching, with a primary focus on the experience and perception of students in the context of design studio pedagogy. To this end, we discuss the findings from an online survey of postgraduate urban design students and reflect on their experience and perception of the related learning and teaching activities, assessment, feedback, field study visits, workshops, and digital platforms during the subject delivery period in the 2021–2022 academic year. The outcomes of this paper can inform future practices of blended learning and teaching incorporating a mix of face-to-face and online modes of delivery in relation to design studio education, particularly in the context of unprecedented global health challenges such as the COVID-19 pandemic. Full article