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23 pages, 3537 KiB  
Article
Comprehensive DEM Calibration Using Face Central Composite Design and Response Surface Methodology for Rice–PLA Interactions in Enhanced Bucket Elevator Performance
by Pirapat Arunyanart, Nithitorn Kongkaew and Supattarachai Sudsawat
AgriEngineering 2025, 7(7), 240; https://doi.org/10.3390/agriengineering7070240 (registering DOI) - 17 Jul 2025
Abstract
This research presents a comprehensive methodology for calibrating Discrete Element Method (DEM) parameters governing rice grain interactions with biodegradable Polylactic Acid (PLA) components in agricultural bucket elevator systems. Rice grains, a critical global food staple requiring efficient post-harvest handling, were modeled as three-sphere [...] Read more.
This research presents a comprehensive methodology for calibrating Discrete Element Method (DEM) parameters governing rice grain interactions with biodegradable Polylactic Acid (PLA) components in agricultural bucket elevator systems. Rice grains, a critical global food staple requiring efficient post-harvest handling, were modeled as three-sphere clusters to accurately represent their physical dimensions (6.5 mm length), while the Hertz–Mindlin contact model provided the theoretical framework for particle interactions. The calibration process employed a multi-phase experimental design integrating Plackett–Burmann screening, steepest ascent method, and Face Central Composite Design to systematically identify and optimize critical micro-mechanical parameters for agricultural material handling. Statistical analysis revealed the coefficient of static friction between rice and PLA as the dominant factor, contributing 96.49% to system performance—significantly higher than previously recognized in conventional agricultural processing designs. Response Surface Methodology generated predictive models achieving over 90% correlation with experimental results from 3D-printed PLA shear box tests. Validation through comparative velocity profile analysis during bucket elevator discharge operations confirmed excellent agreement between simulated and experimental behavior despite a 20% discharge velocity variance that warrants further investigation into agricultural material-specific phenomena. The established parameter set enables accurate virtual prototyping of sustainable agricultural handling equipment, offering post-harvest processing engineers a powerful tool for optimizing bulk material handling systems with reduced environmental impact. This integrated approach bridges fundamental agricultural material properties with sustainable engineering design principles, providing a scalable framework applicable across multiple agricultural processing operations using biodegradable components. Full article
12 pages, 1809 KiB  
Article
Integrating 3D Digital Technology Advancements in the Fabrication of Orthodontic Aligner Attachments: An In Vitro Study
by Riham Nagib, Andrei Chircu and Camelia Szuhanek
J. Clin. Med. 2025, 14(14), 5093; https://doi.org/10.3390/jcm14145093 (registering DOI) - 17 Jul 2025
Abstract
Background/Objectives: The introduction of composite attachments has greatly improved orthodontic aligner therapy, through better force delivery, more predictable movements, and enhanced retention. This in vitro study aims to present and investigate an innovative digital protocol for aligner attachment fabrication incorporating the latest [...] Read more.
Background/Objectives: The introduction of composite attachments has greatly improved orthodontic aligner therapy, through better force delivery, more predictable movements, and enhanced retention. This in vitro study aims to present and investigate an innovative digital protocol for aligner attachment fabrication incorporating the latest 3D technology used in dentistry. Methods: A virtual attachment measuring 2.5 × 2 × 2 mm was designed using computer-aided design (CAD) software (Meshmixer, Autodesk Inc., San Francisco, CA, USA) and exported as an individual STL file. The attachments were fabricated using a digital light processing (DLP) 3D printer (model: Elegoo 4 DLP, Shenzhen, China) and a dental-grade biocompatible resin. A custom 3D-printed placement guide was used to ensure precise positioning of the attachments on the printed maxillary dental models. A flowable resin was applied to secure the attachments in place. Following attachment placement, the models were scanned using a laboratory desktop scanner (Optical 3D Smart Big, Open Technologies, Milano, Italy) and three intraoral scanners: iTero Element (Align Technology, Tempe, AZ, USA), Aoral 2, and Aoral 3 (Shining 3D, Hangzhou, China). Results: Upon comparison, the scans revealed that the iTero Element exhibited the highest precision, particularly in the attachment, with an RMSE of 0.022 mm and 95.04% of measurements falling within a ±100 µm tolerance. The Aoral 2 scanner showed greater variability, with the highest RMSE (0.041 mm) in the incisor area and wider deviation margins. Despite this, all scanners produced results within clinically acceptable limits. Conclusions: In the future, custom attachments made by 3D printing could be a valid alternative to the traditional composite attachments when it comes to improving aligner attachment production. While these preliminary findings support the potential applicability of such workflows, further in vivo research is necessary to confirm clinical usability. Full article
(This article belongs to the Special Issue Orthodontics: State of the Art and Perspectives)
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22 pages, 11034 KiB  
Article
Digital Twin-Enabled Adaptive Robotics: Leveraging Large Language Models in Isaac Sim for Unstructured Environments
by Sanjay Nambiar, Rahul Chiramel Paul, Oscar Chigozie Ikechukwu, Marie Jonsson and Mehdi Tarkian
Machines 2025, 13(7), 620; https://doi.org/10.3390/machines13070620 (registering DOI) - 17 Jul 2025
Abstract
As industrial automation evolves towards human-centric, adaptable solutions, collaborative robots must overcome challenges in unstructured, dynamic environments. This paper extends our previous work on developing a digital shadow for industrial robots by introducing a comprehensive framework that bridges the gap between physical systems [...] Read more.
As industrial automation evolves towards human-centric, adaptable solutions, collaborative robots must overcome challenges in unstructured, dynamic environments. This paper extends our previous work on developing a digital shadow for industrial robots by introducing a comprehensive framework that bridges the gap between physical systems and their virtual counterparts. The proposed framework advances toward a fully functional digital twin by integrating real-time perception and intuitive human–robot interaction capabilities. The framework is applied to a hospital test lab scenario, where a YuMi robot automates the sorting of microscope slides. The system incorporates a RealSense D435i depth camera for environment perception, Isaac Sim for virtual environment synchronization, and a locally hosted large language model (Mistral 7B) for interpreting user voice commands. These components work together to achieve bi-directional synchronization between the physical and digital environments. The framework was evaluated through 20 test runs under varying conditions. A validation study measured the performance of the perception module, simulation, and language interface, with a 60% overall success rate. Additionally, synchronization accuracy between the simulated and physical robot joint movements reached 98.11%, demonstrating strong alignment between the digital and physical systems. By combining local LLM processing, real-time vision, and robot simulation, the approach enables untrained users to interact with collaborative robots in dynamic settings. The results highlight its potential for improving flexibility and usability in industrial automation. Full article
(This article belongs to the Topic Smart Production in Terms of Industry 4.0 and 5.0)
34 pages, 2078 KiB  
Article
Motor Temperature Observer for Four-Mass Thermal Model Based Rolling Mills
by Boris M. Loginov, Stanislav S. Voronin, Roman A. Lisovskiy, Vadim R. Khramshin and Liudmila V. Radionova
Sensors 2025, 25(14), 4458; https://doi.org/10.3390/s25144458 (registering DOI) - 17 Jul 2025
Abstract
Thermal control in rolling mills motors is gaining importance as more and more hard-to-deform steel grades are rolled. The capabilities of diagnostics monitoring also expand as digital IIoT-based technologies are adopted. Electrical drives in modern rolling mills are based on synchronous motors with [...] Read more.
Thermal control in rolling mills motors is gaining importance as more and more hard-to-deform steel grades are rolled. The capabilities of diagnostics monitoring also expand as digital IIoT-based technologies are adopted. Electrical drives in modern rolling mills are based on synchronous motors with frequency regulation. Such motors are expensive, while their reliability impacts the metallurgical plant output. Hence, developing the on-line temperature monitoring systems for such motors is extremely urgent. This paper presents a solution applying to synchronous motors of the upper and lower rolls in the horizontal roll stand of plate mill 5000. The installed capacity of each motor is 12 MW. According to the digitalization tendency, on-line monitoring systems should be based on digital shadows (coordinate observers) that are similar to digital twins, widely introduced at metallurgical plants. Modern reliability requirements set the continuous temperature monitoring for stator and rotor windings and iron core. This article is the first to describe a method for calculating thermal loads based on the data sets created during rolling. The authors have developed a thermal state observer based on four-mass model of motor heating built using the Simscape Thermal Models library domains that is part of the MATLAB Simulink. Virtual adjustment of the observer and of the thermal model was performed using hardware-in-the-loop (HIL) simulation. The authors have validated the results by comparing the observer’s values with the actual values measured at control points. The discrete masses heating was studied during the rolling cycle. The stator and rotor winding temperature was analysed at different periods. The authors have concluded that the motors of the upper and lower rolls are in a satisfactory condition. The results of the study conducted generally develop the idea of using object-oriented digital shadows for the industrial electrical equipment. The authors have introduced technologies that improve the reliability of the rolling mills electrical drives which accounts for the innovative development in metallurgy. The authors have also provided recommendations on expanded industrial applications of the research results. Full article
(This article belongs to the Section Industrial Sensors)
81 pages, 11973 KiB  
Article
Designing and Evaluating XR Cultural Heritage Applications Through Human–Computer Interaction Methods: Insights from Ten International Case Studies
by Jolanda Tromp, Damian Schofield, Pezhman Raeisian Parvari, Matthieu Poyade, Claire Eaglesham, Juan Carlos Torres, Theodore Johnson, Teele Jürivete, Nathan Lauer, Arcadio Reyes-Lecuona, Daniel González-Toledo, María Cuevas-Rodríguez and Luis Molina-Tanco
Appl. Sci. 2025, 15(14), 7973; https://doi.org/10.3390/app15147973 (registering DOI) - 17 Jul 2025
Abstract
Advanced three-dimensional extended reality (XR) technologies are highly suitable for cultural heritage research and education. XR tools enable the creation of realistic virtual or augmented reality applications for curating and disseminating information about cultural artifacts and sites. Developing XR applications for cultural heritage [...] Read more.
Advanced three-dimensional extended reality (XR) technologies are highly suitable for cultural heritage research and education. XR tools enable the creation of realistic virtual or augmented reality applications for curating and disseminating information about cultural artifacts and sites. Developing XR applications for cultural heritage requires interdisciplinary collaboration involving strong teamwork and soft skills to manage user requirements, system specifications, and design cycles. Given the diverse end-users, achieving high precision, accuracy, and efficiency in information management and user experience is crucial. Human–computer interaction (HCI) design and evaluation methods are essential for ensuring usability and return on investment. This article presents ten case studies of cultural heritage software projects, illustrating the interdisciplinary work between computer science and HCI design. Students from institutions such as the State University of New York (USA), Glasgow School of Art (UK), University of Granada (Spain), University of Málaga (Spain), Duy Tan University (Vietnam), Imperial College London (UK), Research University Institute of Communication & Computer Systems (Greece), Technical University of Košice (Slovakia), and Indiana University (USA) contributed to creating, assessing, and improving the usability of these diverse cultural heritage applications. The results include a structured typology of CH XR application scenarios, detailed insights into design and evaluation practices across ten international use cases, and a development framework that supports interdisciplinary collaboration and stakeholder integration in phygital cultural heritage projects. Full article
(This article belongs to the Special Issue Advanced Technologies Applied to Cultural Heritage)
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22 pages, 587 KiB  
Article
Meaning in the Algorithmic Museum: Towards a Dialectical Modelling Nexus of Virtual Curation
by Huining Guan and Pengbo Chen
Heritage 2025, 8(7), 284; https://doi.org/10.3390/heritage8070284 (registering DOI) - 17 Jul 2025
Abstract
The rise of algorithm-driven virtual museums presents a philosophical challenge for how cultural meaning is constructed and critiqued in digital curation. Prevailing approaches highlight important but partial aspects: the loss of aura and authenticity in digital reproductions, efforts to maintain semiotic continuity with [...] Read more.
The rise of algorithm-driven virtual museums presents a philosophical challenge for how cultural meaning is constructed and critiqued in digital curation. Prevailing approaches highlight important but partial aspects: the loss of aura and authenticity in digital reproductions, efforts to maintain semiotic continuity with physical exhibits, optimistic narratives of technological democratisation, and critical technopessimist warnings about commodification and bias. Yet none provides a unified theoretical model of meaning-making under algorithmic curation. This paper proposes a dialectical-semiotic framework to synthesise and transcend these positions. The Dialectical Modelling Nexus (DMN) is a new conceptual structure that views meaning in virtual museums as emerging from the dynamic interplay of original and reproduced contexts, human and algorithmic sign systems, personal interpretation, and ideological framing. Through a critique of prior theories and a synthesis of their insights, the DMN offers a comprehensive model to diagnose how algorithms mediate museum content and to guide critical curatorial practice. The framework illuminates the dialectical tensions at the heart of algorithmic cultural mediation and suggests principles for preserving authentic, multi-layered meaning in the digital museum milieu. Full article
(This article belongs to the Special Issue Digital Museology and Emerging Technologies in Cultural Heritage)
20 pages, 1798 KiB  
Article
An Approach to Enable Human–3D Object Interaction Through Voice Commands in an Immersive Virtual Environment
by Alessio Catalfamo, Antonio Celesti, Maria Fazio, A. F. M. Saifuddin Saif, Yu-Sheng Lin, Edelberto Franco Silva and Massimo Villari
Big Data Cogn. Comput. 2025, 9(7), 188; https://doi.org/10.3390/bdcc9070188 (registering DOI) - 17 Jul 2025
Abstract
Nowadays, the Metaverse is facing many challenges. In this context, Virtual Reality (VR) applications allowing voice-based human–3D object interactions are limited due to the current hardware/software limitations. In fact, adopting Automated Speech Recognition (ASR) systems to interact with 3D objects in VR applications [...] Read more.
Nowadays, the Metaverse is facing many challenges. In this context, Virtual Reality (VR) applications allowing voice-based human–3D object interactions are limited due to the current hardware/software limitations. In fact, adopting Automated Speech Recognition (ASR) systems to interact with 3D objects in VR applications through users’ voice commands presents significant challenges due to the hardware and software limitations of headset devices. This paper aims to bridge this gap by proposing a methodology to address these issues. In particular, starting from a Mel-Frequency Cepstral Coefficient (MFCC) extraction algorithm able to capture the unique characteristics of the user’s voice, we pass it as input to a Convolutional Neural Network (CNN) model. After that, in order to integrate the CNN model with a VR application running on a standalone headset, such as Oculus Quest, we converted it into an Open Neural Network Exchange (ONNX) format, i.e., a Machine Learning (ML) interoperability open standard format. The proposed system demonstrates good performance and represents a foundation for the development of user-centric, effective computing systems, enhancing accessibility to VR environments through voice-based commands. Experiments demonstrate that a native CNN model developed through TensorFlow presents comparable performances with respect to the corresponding CNN model converted into the ONNX format, paving the way towards the development of VR applications running in headsets controlled through the user’s voice. Full article
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30 pages, 10669 KiB  
Article
Integration of Untargeted Metabolomics, Network Pharmacology, Single-Cell RNA Sequencing, and Molecular Dynamics Simulation Reveals GOT1, CYP1A2, and CA2 as Potential Targets of Huang Qin Decoction Preventing Colorectal Cancer Liver Metastasis
by Tiegang Li, Zheng Yan, Mingxuan Zhou, Wenyi Zhao, Fang Zhang, Silin Lv, Yufang Hou, Zifan Zeng, Liu Yang, Yixin Zhou, Zengni Zhu, Xinyi Ren and Min Yang
Pharmaceuticals 2025, 18(7), 1052; https://doi.org/10.3390/ph18071052 (registering DOI) - 17 Jul 2025
Abstract
Background: Huang Qin Decoction (HQD) is a well-established Traditional Chinese Medicine (TCM) formulation recognized for its application in the treatment of colorectal cancer (CRC). However, the precise therapeutic mechanisms remain inadequately defined. Methods: This study integrates metabolomics from a mouse model and network [...] Read more.
Background: Huang Qin Decoction (HQD) is a well-established Traditional Chinese Medicine (TCM) formulation recognized for its application in the treatment of colorectal cancer (CRC). However, the precise therapeutic mechanisms remain inadequately defined. Methods: This study integrates metabolomics from a mouse model and network pharmacology to screen potential targets and bio-active ingredients of HQD. The pharmacological activity of HQD for CRC was evidenced via single-cell RNA sequencing (scRNA-seq), molecular docking, and molecular dynamics simulations. Atomic force microscopy (AFM) assays and cellular experimental validation were used to confirm the relative mechanisms. Results: The metabolite profile undergoes significant alterations, with metabolic reprogramming evident during the malignant progression of CRC liver metastasis. Network pharmacology analysis identified that HQD regulates several metabolic pathways, including arginine biosynthesis, alanine, aspartate, and glutamate metabolism, nitrogen metabolism, phenylalanine metabolism, and linoleic acid metabolism, by targeting key proteins such as aspartate aminotransferase (GOT1), cytochrome P450 1A2 (CYP1A2), and carbonic anhydrase 2 (CA2). ScRNA-seq analysis indicated that HQD may enhance the functionality of cytotoxic T cells, thereby reversing the immunosuppressive microenvironment. Virtual verification revealed a strong binding affinity between the identified hub targets and active constituents of HQD, a finding subsequently corroborated by AFM assays. Cellular experiments confirmed that naringenin treatment inhibits the proliferation, migration, and invasion of CRC cells by downregulating GOT1 expression and disrupting glutamine metabolism. Conclusions: Computational prediction and in vitro validation reveal the active ingredients, potential targets, and molecular mechanisms of HQD against CRC liver metastasis, thereby providing a scientific foundation for the application of TCM in CRC treatment. Full article
(This article belongs to the Section Natural Products)
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14 pages, 2601 KiB  
Article
Simulation in Obstetric and Gynecologic Ultrasound Training: Design and Implementation Considerations
by Sheldon Bailey, Christoph F. Dietrich, Jacqueline Matthew, Michael Bachmann Nielsen and Malene Roland Vils Pedersen
J. Clin. Med. 2025, 14(14), 5064; https://doi.org/10.3390/jcm14145064 (registering DOI) - 17 Jul 2025
Abstract
Background/Objectives: The use of simulation has become more popular in healthcare settings, and simulation is also very popular in ultrasound training, allowing the learners to virtually practice and improve clinical skills. Obstetric pathology and gynecologic lesions can have a large range of [...] Read more.
Background/Objectives: The use of simulation has become more popular in healthcare settings, and simulation is also very popular in ultrasound training, allowing the learners to virtually practice and improve clinical skills. Obstetric pathology and gynecologic lesions can have a large range of sonographic features, and the detection rates for these can be increased by using ultrasound simulation systems to train users. In the following paper, we provide insight into the application of simulation tools in obstetric and gynecologic ultrasound training. Methods: We present different ultrasound models for GYN/OB ultrasound training. Results: Ultrasound simulation is a key component of obstetrics and gynecology (OB/Gyn) ultrasound education. Conclusions: By examining the best practices, we highlight the diverse simulation options available to help learners technical and non-technical skills in a controlled learning environment. Full article
(This article belongs to the Special Issue Ultrasound Diagnosis of Obstetrics and Gynecologic Diseases)
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19 pages, 2785 KiB  
Article
Implementing an AI-Based Digital Twin Analysis System for Real-Time Decision Support in a Custom-Made Sportswear SME
by Tõnis Raamets, Kristo Karjust, Jüri Majak and Aigar Hermaste
Appl. Sci. 2025, 15(14), 7952; https://doi.org/10.3390/app15147952 (registering DOI) - 17 Jul 2025
Abstract
Small and medium-sized enterprises (SMEs) in the manufacturing sector often struggle to make effective use of production data due to fragmented systems and limited digital infrastructure. This paper presents a case study of implementing an AI-enhanced digital twin in a custom sportswear manufacturing [...] Read more.
Small and medium-sized enterprises (SMEs) in the manufacturing sector often struggle to make effective use of production data due to fragmented systems and limited digital infrastructure. This paper presents a case study of implementing an AI-enhanced digital twin in a custom sportswear manufacturing SME developed under the AI and Robotics Estonia (AIRE) initiative. The solution integrates real-time production data collection using the Digital Manufacturing Support Application (DIMUSA); data processing and control; clustering-based data analysis; and virtual simulation for evaluating improvement scenarios. The framework was applied in a live production environment to analyze workstation-level performance, identify recurring bottlenecks, and provide interpretable visual insights for decision-makers. K-means clustering and DBSCAN were used to group operational states and detect process anomalies, while simulation was employed to model production flow and assess potential interventions. The results demonstrate how even a lightweight AI-driven system can support human-centered decision-making, improve process transparency, and serve as a scalable foundation for Industry 5.0-aligned digital transformation in SMEs. Full article
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17 pages, 4656 KiB  
Article
Improved Super-Twisting Sliding Mode Control of a Brushless Doubly Fed Induction Generator for Standalone Ship Shaft Power Generation Systems
by Xueran Fei, Minghao Zhou, Yingyi Jiang, Longbin Jiang, Yi Liu and Yan Yan
J. Mar. Sci. Eng. 2025, 13(7), 1358; https://doi.org/10.3390/jmse13071358 (registering DOI) - 17 Jul 2025
Abstract
This study proposes an improved super-twisting sliding mode (STSM) control method for a brushless doubly fed induction generator (BDFIG) used in standalone ship shaft power generation systems. Focusing on the problem of the low tracking accuracy of the power winding (PW) voltages caused [...] Read more.
This study proposes an improved super-twisting sliding mode (STSM) control method for a brushless doubly fed induction generator (BDFIG) used in standalone ship shaft power generation systems. Focusing on the problem of the low tracking accuracy of the power winding (PW) voltages caused by the parameter perturbation of BDFIG systems, a mismatched uncertain model of the BDFIG is constructed. Additionally, an improved STSM control method is proposed to address the power load variation and compensate for the mismatched uncertainty through virtual control technology. Based on the direct vector control of the control winding (CW), the proposed method ensured that the voltage amplitude error of the power winding could converge to the equilibrium point rather than the neighborhood. Finally, in the experimental investigation of the BDFIG-based ship shaft independent power system, the dynamic performance in the startup and power load changing conditions were analyzed. The experimental results show that the proposed improved STSM controller has a faster dynamic response and higher steady-state accuracy than the proportional integral control and the linear sliding mode control, with strong robustness to the mismatched uncertainties caused by parameter perturbations. Full article
(This article belongs to the Special Issue Control and Optimization of Ship Propulsion System)
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488 KiB  
Proceeding Paper
Digital Twins for Circular Economy Optimization: A Framework for Sustainable Engineering Systems
by Shubham Gupta
Proceedings 2025, 121(1), 4; https://doi.org/10.3390/proceedings2025121004 (registering DOI) - 16 Jul 2025
Abstract
This paper introduces sustainable engineering systems built using digital twin technology and circular economy principles. This research presents a framework for monitoring, modeling, and making decisions in real timusing virtual replicas of physical products, processes, and systems in product lifecycles. A digital twin [...] Read more.
This paper introduces sustainable engineering systems built using digital twin technology and circular economy principles. This research presents a framework for monitoring, modeling, and making decisions in real timusing virtual replicas of physical products, processes, and systems in product lifecycles. A digital twin was used to show that through a digital twin, waste was reduced by 27%, energy consumption was reduced by 32%, and the resource recovery rate increased to 45%. The proposed approach under the framework employs various machine learning algorithms, IoT sensor networks, and advanced data analytics to support closed-loop flows of materials. The results show how digital twins can enhance progress toward the goals the circular economy sets to identify inefficiencies, predict maintenance needs, and optimize the use of resources. This integration is a promising industry approach that will introduce more sustainable operations and maintain economic viability. Full article
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49 pages, 3444 KiB  
Article
A Design-Based Research Approach to Streamline the Integration of High-Tech Assistive Technologies in Speech and Language Therapy
by Anna Lekova, Paulina Tsvetkova, Anna Andreeva, Georgi Dimitrov, Tanio Tanev, Miglena Simonska, Tsvetelin Stefanov, Vaska Stancheva-Popkostadinova, Gergana Padareva, Katia Rasheva, Adelina Kremenska and Detelina Vitanova
Technologies 2025, 13(7), 306; https://doi.org/10.3390/technologies13070306 - 16 Jul 2025
Abstract
Currently, high-tech assistive technologies (ATs), particularly Socially Assistive Robots (SARs), virtual reality (VR) and conversational AI (ConvAI), are considered very useful in supporting professionals in Speech and Language Therapy (SLT) for children with communication disorders. However, despite a positive public perception, therapists face [...] Read more.
Currently, high-tech assistive technologies (ATs), particularly Socially Assistive Robots (SARs), virtual reality (VR) and conversational AI (ConvAI), are considered very useful in supporting professionals in Speech and Language Therapy (SLT) for children with communication disorders. However, despite a positive public perception, therapists face difficulties when integrating these technologies into practice due to technical challenges and a lack of user-friendly interfaces. To address this gap, a design-based research approach has been employed to streamline the integration of SARs, VR and ConvAI in SLT, and a new software platform called “ATLog” has been developed for designing interactive and playful learning scenarios with ATs. ATLog’s main features include visual-based programming with graphical interface, enabling therapists to intuitively create personalized interactive scenarios without advanced programming skills. The platform follows a subprocess-oriented design, breaking down SAR skills and VR scenarios into microskills represented by pre-programmed graphical blocks, tailored to specific treatment domains, therapy goals, and language skill levels. The ATLog platform was evaluated by 27 SLT experts using the Technology Acceptance Model (TAM) and System Usability Scale (SUS) questionnaires, extended with additional questions specifically focused on ATLog structure and functionalities. According to the SUS results, most of the experts (74%) evaluated ATLog with grades over 70, indicating high acceptance of its usability. Over half (52%) of the experts rated the additional questions focused on ATLog’s structure and functionalities in the A range (90–100), while 26% rated them in the B range (80–89), showing strong acceptance of the platform for creating and running personalized interactive scenarios with ATs. According to the TAM results, experts gave high grades for both perceived usefulness (44% in the A range) and perceived ease of use (63% in the A range). Full article
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20 pages, 2802 KiB  
Article
Selective Cleaning Enhances Machine Learning Accuracy for Drug Repurposing: Multiscale Discovery of MDM2 Inhibitors
by Mohammad Firdaus Akmal and Ming Wah Wong
Molecules 2025, 30(14), 2992; https://doi.org/10.3390/molecules30142992 - 16 Jul 2025
Abstract
Cancer remains one of the most formidable challenges to human health; hence, developing effective treatments is critical for saving lives. An important strategy involves reactivating tumor suppressor genes, particularly p53, by targeting their negative regulator MDM2, which is essential in promoting cell cycle [...] Read more.
Cancer remains one of the most formidable challenges to human health; hence, developing effective treatments is critical for saving lives. An important strategy involves reactivating tumor suppressor genes, particularly p53, by targeting their negative regulator MDM2, which is essential in promoting cell cycle arrest and apoptosis. Leveraging a drug repurposing approach, we screened over 24,000 clinically tested molecules to identify new MDM2 inhibitors. A key innovation of this work is the development and application of a selective cleaning algorithm that systematically filters assay data to mitigate noise and inconsistencies inherent in large-scale bioactivity datasets. This approach significantly improved the predictive accuracy of our machine learning model for pIC50 values, reducing RMSE by 21.6% and achieving state-of-the-art performance (R2 = 0.87)—a substantial improvement over standard data preprocessing pipelines. The optimized model was integrated with structure-based virtual screening via molecular docking to prioritize repurposing candidate compounds. We identified two clinical CB1 antagonists, MePPEP and otenabant, and the statin drug atorvastatin as promising repurposing candidates based on their high predicted potency and binding affinity toward MDM2. Interactions with the related proteins MDM4 and BCL2 suggest these compounds may enhance p53 restoration through multi-target mechanisms. Quantum mechanical (ONIOM) optimizations and molecular dynamics simulations confirmed the stability and favorable interaction profiles of the selected protein–ligand complexes, resembling that of navtemadlin, a known MDM2 inhibitor. This multiscale, accuracy-boosted workflow introduces a novel data-curation strategy that substantially enhances AI model performance and enables efficient drug repurposing against challenging cancer targets. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
12 pages, 3982 KiB  
Case Report
From Amateur to Professional Cycling: A Case Study on the Training Characteristics of a Zwift Academy Winner
by Daniel Gotti, Roberto Codella, Luca Vergallito, Andrea Meloni, Tommaso Arrighi, Antonio La Torre and Luca Filipas
Sports 2025, 13(7), 234; https://doi.org/10.3390/sports13070234 (registering DOI) - 16 Jul 2025
Abstract
This study aimed to describe the training leading to the Zwift Academy (ZA) Finals of a world-class road cyclist who earned a professional contract after winning the contest. Four years of daily power meter data were analyzed (male, 25 years old, 68 kg, [...] Read more.
This study aimed to describe the training leading to the Zwift Academy (ZA) Finals of a world-class road cyclist who earned a professional contract after winning the contest. Four years of daily power meter data were analyzed (male, 25 years old, 68 kg, VO2max: 85 mL·min−1·kg−1, and 20-min power: 6.37 W·kg−1), focusing on load, volume, intensity, and strategies. Early training alternated between long, moderate-intensity sessions and shorter high-intensity sessions, with easy days in between. Gradually, the structure was progressively modified by increasing the duration of moderate-intensity (MIT) and high-intensity (HIT) and, subsequently, moving them to “high-volume days”, creating a sort of “all-in days” with low-intensity (LIT), MIT, and HIT. Moderate use of indoor training and a few double low-volume, low-intensity sessions were noted. These data provide a deep view of a 4-year preparation period of ZA, providing suggestions for talent identification and training, thereby highlighting the importance of gradual progression in MIT and HIT. Full article
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