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Keywords = phase synchronization barrier

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36 pages, 2476 KB  
Review
Biodegradable Metals and Corrosion Control: Challenges, Limits and New Opportunities for Innovating in Orthopedic Fixations
by Abdelhakim Cherqaoui, Carlo Paternoster and Diego Mantovani
Materials 2026, 19(9), 1789; https://doi.org/10.3390/ma19091789 - 28 Apr 2026
Cited by 1 | Viewed by 625
Abstract
Biodegradable metals represent a paradigm shift in orthopedic fixation by providing temporary mechanical support synchronized with bone healing while eliminating long-term complications associated with permanent implants. Conventional bioinert alloys, including stainless steels, Ti-based alloys, and Co-Cr alloys, exhibit high elastic moduli that induce [...] Read more.
Biodegradable metals represent a paradigm shift in orthopedic fixation by providing temporary mechanical support synchronized with bone healing while eliminating long-term complications associated with permanent implants. Conventional bioinert alloys, including stainless steels, Ti-based alloys, and Co-Cr alloys, exhibit high elastic moduli that induce stress shielding and often require secondary removal surgeries. In response, resorbable metallic systems based on Mg, Zn, and Fe have emerged as promising alternatives. Among these, Fe-Mn-C alloys stand out for load-bearing applications due to their exceptional strength-ductility balance governed by twinning-induced plasticity mechanisms, tunable degradation behavior, and intrinsic magnetic resonance imaging compatibility through austenitic phase stabilization. Focusing on Fe-Mn-C alloys, this review critically examines the metallurgical design principles underlying stacking fault energy optimization, phase stability, and Mn-controlled electrochemical behavior. Processing innovations, such as additive manufacturing, are discussed as tools to architecture porosity, refine microstructure, and accelerate degradation by graded designs while preserving mechanical structural support during healing. Hybrid metallic-bioactive systems, surface functionalization strategies, and functionally graded porous architectures were evaluated as advanced approaches to enhance osteointegration and modulate degradability. Despite these advances, significant barriers remain for clinical translation. Persistent discrepancies between in vitro and in vivo degradation rates, often attributed to biological encapsulation and degradation product accumulation, complicate lifetime prediction. Localized corrosion at microstructural heterogeneities such as twin boundaries and phase interfaces can undermine structural reliability under load-bearing conditions. Moreover, predictive multi-physics modeling frameworks capable of coupling electrochemical kinetics, mechanical loading, microstructural evolution, and bone remodeling remain underdeveloped, limiting reliable safety-margin estimation. Regulatory progress is further hindered by the absence of standardized testing protocols specifically tailored to Fe-based biodegradable alloys, including harmonized degradation rate windows, validated corrosion-mechanics coupling methodologies, and clinically defined Mn ion release thresholds. This review aims to discuss whether Fe-based alloys, especially Fe-Mn-C alloys, can transition from promising laboratory materials to clinically viable next-generation orthopedic implants capable of delivering patient-specific, mechanically compatible, and biologically synchronized temporary fixation. Full article
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20 pages, 847 KB  
Review
Closing the Loop in Neuromodulation: A Review of Machine Learning Approaches for EEG-Guided Transcranial Magnetic Stimulation
by Elena Mongiardini and Paolo Belardinelli
Algorithms 2026, 19(4), 323; https://doi.org/10.3390/a19040323 - 21 Apr 2026
Viewed by 1444
Abstract
Transcranial magnetic stimulation (TMS) combined with electroencephalography (EEG) provides a powerful framework to probe and modulate human cortical and corticospinal excitability. In recent years, brain state-dependent EEG–TMS paradigms have gained increasing interest by synchronizing stimulation to ongoing neural activity. However, traditional approaches relying [...] Read more.
Transcranial magnetic stimulation (TMS) combined with electroencephalography (EEG) provides a powerful framework to probe and modulate human cortical and corticospinal excitability. In recent years, brain state-dependent EEG–TMS paradigms have gained increasing interest by synchronizing stimulation to ongoing neural activity. However, traditional approaches relying on single oscillatory features or fixed thresholds have yielded heterogeneous and often inconsistent results, motivating the adoption of machine learning (ML) and artificial intelligence (AI) methods to model brain state in a multivariate, data-driven manner. This review synthesizes current ML and deep learning (DL) approaches aimed at predicting cortical and corticospinal excitability from pre-stimulus EEG. We contextualize these methods within brain state-dependent EEG–TMS frameworks based on oscillatory phase, power, and network-level features, and within evolving definitions of brain state that move beyond local biomarkers toward distributed, large-scale, and dynamically evolving neural representations. The reviewed studies span feature-engineered models, data-driven decoding approaches, and emerging adaptive closed-loop frameworks. Finally, we discuss key methodological challenges, translational barriers, and future directions toward personalized, interpretable, and fully closed-loop neuromodulation systems. Full article
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24 pages, 1742 KB  
Review
Quantum Encryption in Phase Space
by Randy Kuang
Atoms 2026, 14(3), 23; https://doi.org/10.3390/atoms14030023 - 11 Mar 2026
Viewed by 790
Abstract
Quantum Encryption in Phase Space (QEPS) is a physical-layer encryption framework that harnesses the quantum-mechanical properties of coherent states to secure optical communications against both classical and quantum computational threats. By applying randomized phase shifts, displacements, or their dynamic combinations—implemented as unitary transformations [...] Read more.
Quantum Encryption in Phase Space (QEPS) is a physical-layer encryption framework that harnesses the quantum-mechanical properties of coherent states to secure optical communications against both classical and quantum computational threats. By applying randomized phase shifts, displacements, or their dynamic combinations—implemented as unitary transformations in phase space—QEPS disrupts the phase reference essential for coherent detection, establishing aphase synchronization barrier. This review synthesizes the theoretical foundations, security mechanisms, and experimental progress of the QEPS framework, encompassing its three principal variants: the round-trip Quantum Public Key Envelope (QPKE) protocol—a public-key-like scheme built upon phase randomization (QEPS-p), the symmetric phase-only QEPS-p, and the displacement-based QEPS-d. Experimental validations demonstrate that authorized users achieve bit-error rates (BERs) below the forward-error-correction threshold, whereas eavesdroppers are confined to BERs near 50%, equivalent to random guessing—all while utilizing standard coherent optical transceivers at data rates up to 200 Gb/s over 80 km of fiber. We further examine QEPS’s robustness to channel impairments, its seamless compatibility with existing digital signal processing (DSP) pipelines, and its distinctive position within the post-quantum cryptography landscape. Finally, we outline key challenges and future research directions toward deploying QEPS as a practical, quantum-resistant security layer for next-generation optical networks. Full article
(This article belongs to the Special Issue Quantum Optics and Quantum Information)
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37 pages, 1416 KB  
Review
Climate Change and Health Systems: A Scoping Review of Health Professionals’ Perceptions and Readiness for Action
by Vasileios Gkouliaveras, Stavros Kalogiannidis, Dimitrios Kalfas, Apostolia Papaklonari and Stamatis Kontsas
Climate 2026, 14(1), 12; https://doi.org/10.3390/cli14010012 - 4 Jan 2026
Cited by 3 | Viewed by 3648
Abstract
Climate change is one of the greatest challenges of our time, with direct implications for sustainable development, the physical and mental health of populations, and the functioning of health systems. Strengthening the resilience and sustainability of health systems through mitigation and adaptation strategies [...] Read more.
Climate change is one of the greatest challenges of our time, with direct implications for sustainable development, the physical and mental health of populations, and the functioning of health systems. Strengthening the resilience and sustainability of health systems through mitigation and adaptation strategies requires the active involvement of health professionals. This scoping review explores health professionals’ perceptions of climate change and its impacts on public health and health systems, as well as their operational preparedness and the barriers to adaptation. The literature review was conducted in three phases (20 December 2024, 20 January 2025, and 20 March 2025) using the Web of Science, Scopus, and PubMed databases, covering the period 2016–2025 and following PRISMA guidelines. Of the 1888 studies initially identified, 36 met the predefined inclusion and exclusion criteria. The findings showed that while health professionals recognize climate change as a current threat to public health and health systems, they are not adequately prepared to address its impacts. The main barriers to addressing climate change are related to a lack of information and awareness, inadequate training, limited time, lack of supportive leadership, failure to integrate sustainable practices into daily clinical practice and, above all, inadequate funding. Based on these findings, there is an urgent need to develop policies that promote the active participation of health professionals in the design and implementation of climate change mitigation and adaptation strategies. At the same time, there is a need to strengthen research activity through both synchronous and diachronic studies in order to gather information on the sustainability and resilience of health systems. Full article
(This article belongs to the Special Issue Climate Change, Health and Multidisciplinary Approaches)
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27 pages, 2936 KB  
Article
Dynamic Event-Triggered Multi-Aircraft Collision Avoidance: A Reference Correction Method Based on APF-CBF
by Yadong Tang, Jiong Li, Jikun Ye, Xiangwei Bu and Changxin Luo
Aerospace 2025, 12(9), 803; https://doi.org/10.3390/aerospace12090803 - 5 Sep 2025
Cited by 1 | Viewed by 1367
Abstract
To address the key issues in cooperative collision avoidance of multiple aircraft, such as unknown dynamics, external disturbances, and limited communication resources, this paper proposes a reference correction method based on the Artificial Potential Field-Control Barrier Function (APF-CBF) and combines it with a [...] Read more.
To address the key issues in cooperative collision avoidance of multiple aircraft, such as unknown dynamics, external disturbances, and limited communication resources, this paper proposes a reference correction method based on the Artificial Potential Field-Control Barrier Function (APF-CBF) and combines it with a dynamic event-triggered mechanism to achieve efficient cooperative control. This paper adopts a Fuzzy Wavelet Neural Network (FWNN) to design a finite-time disturbance observer. By leveraging the advantages of FWNN, which integrates fuzzy logic reasoning and the time-frequency locality of wavelet basis functions, this observer can synchronously estimate system states and unknown disturbances, to ensure the finite-time uniformly ultimate boundedness of errors and break through the limitation of insufficient robustness in traditional observers. Meanwhile, the APF is embedded in the CBF framework. On the one hand, APF is utilized to intuitively describe spatial interaction relationships, thereby reducing reliance on prior knowledge of obstacles; on the other hand, CBF is used to strictly construct safety constraints to overcome the local minimum problem existing in APF. Additionally, the reference correction mechanism is combined to optimize trajectory tracking performance. In addition, this paper introduces a dynamic event-triggered mechanism, which adjusts the triggering threshold by real-time adaptation to error trends and mission phases, realizing “communication on demand”. This mechanism can reduce communication resource consumption by 49.8% to 69.8% while avoiding Zeno behavior. Theoretical analysis and simulation experiments show that the proposed method can ensure the uniformly ultimate boundedness of system states and effectively achieve safe collision avoidance and efficient formation tracking of multiple aircraft. Full article
(This article belongs to the Special Issue Formation Flight of Fixed-Wing Aircraft)
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15 pages, 272 KB  
Article
Speech-to-Text Captioning and Subtitling in Schools: The Results of a SWOT Analysis
by Ambra Fastelli, Giulia Clignon, Daniele Corasaniti and Eva Orzan
Audiol. Res. 2025, 15(4), 105; https://doi.org/10.3390/audiolres15040105 - 12 Aug 2025
Cited by 1 | Viewed by 1797
Abstract
Background/Objectives: Poor classroom acoustics and inadequate digital environments in educational settings can pose an additional barrier for students, especially those with special needs, such as students with hearing difficulties. These challenges can hinder communication, academic achievement, and social inclusion. Speech-to-text captioning systems offer [...] Read more.
Background/Objectives: Poor classroom acoustics and inadequate digital environments in educational settings can pose an additional barrier for students, especially those with special needs, such as students with hearing difficulties. These challenges can hinder communication, academic achievement, and social inclusion. Speech-to-text captioning systems offer a promising assistive tool to support education. This study aimed to evaluate the strengths and limitations of implementing such systems in schools through a structured strategic analysis. Methods: The analysis method consisted of two phases. A SWOT (Strengths, Weaknesses, Opportunities, Threats) analysis was performed on data from a survey compiled by an interdisciplinary team. A subsequent TOWS analysis was used to develop strategic recommendations by cross-referencing internal and external factors. Results: The analysis highlighted key strengths, including improved communication, support for inclusive practices, and adaptability to diverse learning needs. Identified weaknesses included cognitive load, synchronization delays, and variability in student profiles. Opportunities included educational innovation, access to funding programs, and interdisciplinary collaboration. Threats included inadequate classroom technology, poor acoustics, and the risks of social stigma. The analysis yielded 17 recommendations to improve the usability and customization of the tool. Conclusions: Speech-to-text captioning systems have significant potential to promote accessibility and inclusion in education. This strategic analysis provides a structured, interdisciplinary approach to strategic planning and the successful implementation of assistive technology in schools. By combining multidisciplinary expertise with structured evaluation, it identified key design, training, and policy priorities. This approach offers a replicable model for user-centered planning and the development of assistive tools and can inform wider efforts to reduce communication barriers in inclusive education. Full article
13 pages, 6174 KB  
Article
Dynamic Pollen–Stigma Coordination in Dendrobium Hybridization: A Strategy to Maximize Fruit Set and Hybrid Seed Viability
by Qian Wu, Yanbing Qian, Ao Guan, Yan Yue, Zongyan Li, Bruce Dunn, Jianwei Yang, Shuangshuang Yi, Yi Liao and Junmei Yin
Horticulturae 2025, 11(5), 544; https://doi.org/10.3390/horticulturae11050544 - 17 May 2025
Cited by 3 | Viewed by 2113
Abstract
This study investigated dynamic pollen–stigma coordination to optimize interspecific hybridization in Dendrobium using D. ‘Burana Jade’ as the maternal parent and eight wild species as pollen donors. Stigma receptivity was comprehensively evaluated using a multi-indicator approach, including morphological characterization (crystal secretion and bulging [...] Read more.
This study investigated dynamic pollen–stigma coordination to optimize interspecific hybridization in Dendrobium using D. ‘Burana Jade’ as the maternal parent and eight wild species as pollen donors. Stigma receptivity was comprehensively evaluated using a multi-indicator approach, including morphological characterization (crystal secretion and bulging papillae), histochemical benzidine-H2O2 staining, and enzymatic activity profiling (esterase and superoxide dismutase). Concurrently, pollen viability was assessed through TTC testing coupled with ultrastructural observations. Results identified a critical synchronization window: pollen viability peaked at 1–3 days post anthesis (DPA) or during the mid-anthesis phase, while stigmas exhibited maximal receptivity when secretory activity and antioxidant enzyme levels significantly increased. Using stage-specific pollination criteria, 8.4% of crosses (8/95) produced viable fruits, outperforming empirical methods by 2.8-fold. D. ‘Burana Jade’ showed cross-compatibility with four Dendrobium species (D. aphyllum, D. chrysotoxum, D. hercoglossum, D. thyrsiflorum), with D. thyrsiflorum hybrids achieving 54.81% embryogenesis and 22.38% germination. Three compatible combinations germinated successfully in vitro within 45–55 days on 1/4 MS medium supplemented with 20 g/L sucrose, 1 g/L tryptone, 180 mL/L coconut water, and 2.2 g/L Phytagel. Our findings establish that synchronizing pollen viability windows with stigma receptivity phases significantly enhances fruit set and hybrid seed viability, providing a phenology-driven strategy to overcome reproductive barriers in orchid breeding programs. This study provides key physiological criteria for Dendrobium hybridization, though their applicability to other orchids needs validation. Future multi-omics studies should explore cross-species compatibility mechanisms. Full article
(This article belongs to the Special Issue Orchids: Advances in Propagation, Cultivation and Breeding)
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21 pages, 19193 KB  
Article
Design of a Novel Nine-Phase Ferrite-Assisted Synchronous Reluctance Machine with Skewed Stator Slots
by Hongliang Guo, Tianci Wang, Hongwu Chen, Zaixin Song and Chunhua Liu
Energies 2025, 18(9), 2323; https://doi.org/10.3390/en18092323 - 2 May 2025
Cited by 1 | Viewed by 1576
Abstract
This paper proposes a novel nine-phase ferrite-assisted synchronous reluctance machine (FA-SynRM) featuring skewed stator slots to address challenges related to harmonic distortion, torque ripple, and material sustainability which are prevalent in conventional permanent magnet-assisted synchronous reluctance motors (PMa-SynRMs). Existing PMa-SynRMs often suffer from [...] Read more.
This paper proposes a novel nine-phase ferrite-assisted synchronous reluctance machine (FA-SynRM) featuring skewed stator slots to address challenges related to harmonic distortion, torque ripple, and material sustainability which are prevalent in conventional permanent magnet-assisted synchronous reluctance motors (PMa-SynRMs). Existing PMa-SynRMs often suffer from increased torque ripples and harmonic distortion, while reliance on rare-earth materials raises cost and sustainability concerns. To address these issues, the proposed design incorporates low-cost ferrite magnets embedded within the rotor flux barriers to achieve a flux-concentrated effect and enhanced torque production. The nine-phase winding configuration is utilized to improve fault tolerance, reduce harmonic distortion, and enable smoother torque output compared with conventional three-phase counterparts. In addition, the skewed stator slot design further minimizes harmonic components, reducing overall distortion. The proposed machine is validated through finite element analysis (FEA), and experimental verification is obtained by measuring the inductance characteristics and back-EMF of the nine-phase winding, confirming the feasibility of the electromagnetic design. The results demonstrate significant reductions in harmonic distortion and torque ripples, verifying the potential of this design. Full article
(This article belongs to the Special Issue Advanced Technologies for Electrified Transportation and Robotics)
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23 pages, 1202 KB  
Article
Energy Efficiency for Faster-than-Nyquist Data Transmission Using Processing Algorithms with Decision Feedback
by Wenjing Shang, Ilya Lavrenyuk, Sergey Makarov, Anna Ovsyannikova, Sergey Zavjalov, Dingfeng Yu and Wei Xue
Symmetry 2024, 16(8), 1001; https://doi.org/10.3390/sym16081001 - 6 Aug 2024
Cited by 1 | Viewed by 1710
Abstract
One of the ways to increase the volume of transmitted information is to increase the bit rate above the Nyquist barrier. However, an increase in bit rate in the case of FTN (Faster-Than-Nyquist) signals leads to an increase in energy costs for receiving [...] Read more.
One of the ways to increase the volume of transmitted information is to increase the bit rate above the Nyquist barrier. However, an increase in bit rate in the case of FTN (Faster-Than-Nyquist) signals leads to an increase in energy costs for receiving information on channels with limited bandwidth, for example, in Digital Video Broadcasting satellite systems like DVB-S2/S2X. It is possible to minimize energy losses by using the processing algorithm “maximum likelihood sequence estimation”. However, the computational complexity of this algorithm is extremely high, which limits its use, especially in terrestrial mobile satellite terminals. We propose a new bit-by-bit decision feedback algorithm with maximum likelihood ratio estimation of subsequent symbols in the observation interval. This algorithm provides minimal energy costs comparable to the method “maximum likelihood sequence estimation” at speeds 2–3 times higher than the Nyquist barrier. At the same time, the complexity is two orders of magnitude less. It is shown by simulation for a channel with additive noise that energy losses in relation to the potential bit error rate (BER) are less than 4.5 dB. In the presence of Rayleigh fading, the application of the proposed algorithm makes it possible to provide the processing of FTN signals for double bit rates in urban areas with energy costs equal to 12 dB when using an equalizer. We give numerical estimations of the increase in computational complexity for the proposed processing algorithm. It is shown that an increase in the bit rate by 1.5 times leads to an increase in the computational complexity by more than an order of magnitude. The same conclusion can be reformulated in another form: for the proposed algorithm, each decibel of energy gain is achieved by increasing the number of computational operations by 1.5×105. It is experimentally shown that additional energy losses due to non-ideal phase and timing synchronization are no more than 1 dB when the proposed algorithm is applied in a fading channel. The energy costs in fading channels relative to a stationary channel for twice the Nyquist rate are equal to 13.8 dB when using an equalizer. Full article
(This article belongs to the Section Engineering and Materials)
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14 pages, 5886 KB  
Article
Performance Analysis of Dual Three-Phase Synchronous Reluctance Motor According to Winding Configuration
by Chaelim Jeong
Electronics 2024, 13(14), 2821; https://doi.org/10.3390/electronics13142821 - 18 Jul 2024
Cited by 1 | Viewed by 1707
Abstract
This manuscript examines the output characteristics of a dual three-phase synchronous reluctance motor (DT-SynRM) according to two winding arrangements under normal and half-control modes. In the case of the DT-SynRM, it can operate by using all of the dual three-phase systems (the normal [...] Read more.
This manuscript examines the output characteristics of a dual three-phase synchronous reluctance motor (DT-SynRM) according to two winding arrangements under normal and half-control modes. In the case of the DT-SynRM, it can operate by using all of the dual three-phase systems (the normal control) or one of the dual three-phase systems (the half control). In this paper, conventional winding function theory (WFT) is applied, because the output characteristic can be predicted by the inductance behavior. According to the WFT, the inductance value can be affected by the winding function, the turn function, and the inverse air gap function. As a result, the rotor barrier shape as well as the winding configuration are the most important factors that have an effect on the performance of the DT-SynRM. Therefore, the effect of the rotor barrier design on the performance is analyzed when the winding configuration and control mode are different. Finally, the validity of the torque characteristic is substantiated through experimental verification. Full article
(This article belongs to the Special Issue Advanced Design in Electrical Machines)
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17 pages, 16385 KB  
Article
Effect of Flux Barriers on Short-Circuit Current and Braking Torque in Dual Three-Phase PM Machine
by Lin Liu, Kai Wang, Lingling Guo and Jian Li
Machines 2022, 10(8), 611; https://doi.org/10.3390/machines10080611 - 26 Jul 2022
Viewed by 3222
Abstract
This paper investigates the influence of stator flux barriers on the short-circuit current (SCC) and braking torque of a dual three-phase permanent magnet (PM) synchronous machine. By optimizing the position and width of stator flux barriers, the machine has a lower amplitude of [...] Read more.
This paper investigates the influence of stator flux barriers on the short-circuit current (SCC) and braking torque of a dual three-phase permanent magnet (PM) synchronous machine. By optimizing the position and width of stator flux barriers, the machine has a lower amplitude of short-circuit current and brake torque when the short-circuit fault occurs. First, the SCC and braking torque are analytically derived. The amplitude of SCC is proportional to the PM flux linkage and inversely proportional to the inductance. The braking torque is proportional to the square of the PM flux linkage and inversely proportional to inductance. Then, the equivalent magnetic circuit model of flux barriers is established. Its influence on flux linkage and inductance is analyzed, and the improvement mechanism of output torque and fault tolerance is revealed. Furthermore, the flux barriers’ width is optimized by finite element analysis and the theoretical analysis is verified. Finally, experiments on the prototype machine are carried out for the validation. Full article
(This article belongs to the Topic Advanced Electrical Machines and Drives Technologies)
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31 pages, 29703 KB  
Article
Mechanistic Details of the Sharpless Epoxidation of Allylic Alcohols—A Combined URVA and Local Mode Study
by Marek Freindorf and Elfi Kraka
Catalysts 2022, 12(7), 789; https://doi.org/10.3390/catal12070789 - 18 Jul 2022
Cited by 8 | Viewed by 7799
Abstract
In this work, we investigated the catalytic effects of a Sharpless dimeric titanium (IV)–tartrate–diester catalyst on the epoxidation of allylalcohol with methyl–hydroperoxide considering four different orientations of the reacting species coordinated at the titanium atom (reactions R1R4) as well as [...] Read more.
In this work, we investigated the catalytic effects of a Sharpless dimeric titanium (IV)–tartrate–diester catalyst on the epoxidation of allylalcohol with methyl–hydroperoxide considering four different orientations of the reacting species coordinated at the titanium atom (reactions R1R4) as well as a model for the non-catalyzed reaction (reaction R0). As major analysis tools, we applied the URVA (Unified Reaction Valley Approach) and LMA (Local Mode Analysis), both being based on vibrational spectroscopy and complemented by a QTAIM analysis of the electron density calculated at the DFT level of theory. The energetics of each reaction were recalculated at the DLPNO-CCSD(T) level of theory. The URVA curvature profiles identified the important chemical events of all five reactions as peroxide OO bond cleavage taking place before the TS (i.e., accounting for the energy barrier) and epoxide CO bond formation together with rehybridization of the carbon atoms of the targeted CC double bond after the TS. The energy decomposition into reaction phase contribution phases showed that the major effect of the catalyst is the weakening of the OO bond to be broken and replacement of OH bond breakage in the non-catalyzed reaction by an energetically more favorable TiO bond breakage. LMA performed at all stationary points rounded up the investigation (i) quantifying OO bond weakening of the oxidizing peroxide upon coordination at the metal atom, (ii) showing that a more synchronous formation of the new CO epoxide bonds correlates with smaller bond strength differences between these bonds, and (iii) elucidating the different roles of the three TiO bonds formed between catalyst and reactants and their interplay as orchestrated by the Sharpless catalyst. We hope that this article will inspire the computational community to use URVA complemented with LMA in the future as an efficient mechanistic tool for the optimization and fine-tuning of current Sharpless catalysts and for the design new of catalysts for epoxidation reactions. Full article
(This article belongs to the Special Issue Catalytic Epoxidation Reaction)
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14 pages, 847 KB  
Article
Perceptions of Telehealth Services for Hearing Loss in South Africa’s Public Healthcare System
by Aaqilah Bhamjee, Talita le Roux, De Wet Swanepoel, Marien Alet Graham, Kurt Schlemmer and Faheema Mahomed-Asmail
Int. J. Environ. Res. Public Health 2022, 19(13), 7780; https://doi.org/10.3390/ijerph19137780 - 24 Jun 2022
Cited by 22 | Viewed by 4240
Abstract
Telehealth promises increased access to hearing healthcare services, primarily in areas where hearing healthcare resources are limited, such as within the South African public healthcare system. Telehealth for hearing healthcare is especially important during the COVID-19 pandemic, where physical distancing has been essential. [...] Read more.
Telehealth promises increased access to hearing healthcare services, primarily in areas where hearing healthcare resources are limited, such as within the South African public healthcare system. Telehealth for hearing healthcare is especially important during the COVID-19 pandemic, where physical distancing has been essential. This study aimed to describe audiologists’ perceptions regarding telehealth services for hearing loss within South Africa’s public healthcare system. This study was divided into two phases. During Phase 1, 97 audiologists completed an electronic survey regarding their perceptions of telehealth for hearing loss within South African public sector hospitals. Synchronous virtual focus-group discussions were conducted during Phase 2. Results indicated that audiologists recognized telehealth services’ potential to improve hearing healthcare efficiency within the public sector, and most (84.1%) were willing to use it. However, telehealth’s actual uptake was low despite almost doubling during the COVID-19 pandemic. Prominent perceived barriers to telehealth were primarily related to hospital resources, including the unavailability of equipment for the remote hearing/specialized assessments, internet-related barriers, and limited IT infrastructure. An increased understanding of telehealth in South Africa’s public healthcare system will assist in identifying and in improving potential barriers to telehealth, including hospital resources and infrastructure. Full article
(This article belongs to the Special Issue Digital Health in South Africa)
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26 pages, 5901 KB  
Article
BF3–Catalyzed Diels–Alder Reaction between Butadiene and Methyl Acrylate in Aqueous Solution—An URVA and Local Vibrational Mode Study
by Marek Freindorf and Elfi Kraka
Catalysts 2022, 12(4), 415; https://doi.org/10.3390/catal12040415 - 7 Apr 2022
Cited by 4 | Viewed by 5111
Abstract
In this study we investigate the Diels–Alder reaction between methyl acrylate and butadiene, which is catalyzed by BF3 Lewis acid in explicit water solution, using URVA and Local Mode Analysis as major tools complemented with NBO, electron density and ring puckering analyses. [...] Read more.
In this study we investigate the Diels–Alder reaction between methyl acrylate and butadiene, which is catalyzed by BF3 Lewis acid in explicit water solution, using URVA and Local Mode Analysis as major tools complemented with NBO, electron density and ring puckering analyses. We considered four different starting orientations of methyl acrylate and butadiene, which led to 16 DA reactions in total. In order to isolate the catalytic effects of the BF3 catalyst and those of the water environment and exploring how these effects are synchronized, we systematically compared the non-catalyzed reaction in gas phase and aqueous solution with the catalyzed reaction in gas phase and aqueous solution. Gas phase studies were performed at the B3LYP/6-311+G(2d,p) level of theory and studies in aqueous solution were performed utilizing a QM/MM approach at the B3LYP/6-311+G(2d,p)/AMBER level of theory. The URVA results revealed reaction path curvature profiles with an overall similar pattern for all 16 reactions showing the same sequence of CC single bond formation for all of them. In contrast to the parent DA reaction with symmetric substrates causing a synchronous bond formation process, here, first the new CC single bond on the CH2 side of methyl acrylate is formed followed by the CC bond at the ester side. As for the parent DA reaction, both bond formation events occur after the TS, i.e., they do not contribute to the energy barrier. What determines the barrier is the preparation process for CC bond formation, including the approach diene and dienophile, CC bond length changes and, in particular, rehybridization of the carbon atoms involved in the formation of the cyclohexene ring. This process is modified by both the BF3 catalyst and the water environment, where both work in a hand-in-hand fashion leading to the lowest energy barrier of 9.06 kcal/mol found for the catalyzed reaction R1 in aqueous solution compared to the highest energy barrier of 20.68 kcal/mol found for the non-catalyzed reaction R1 in the gas phase. The major effect of the BF3 catalyst is the increased mutual polarization and the increased charge transfer between methyl acrylate and butadiene, facilitating the approach of diene and dienophile and the pyramidalization of the CC atoms involved in the ring formation, which leads to a lowering of the activation energy. The catalytic effect of water solution is threefold. The polar environment leads also to increased polarization and charge transfer between the reacting species, similar as in the case of the BF3 catalyst, although to a smaller extend. More important is the formation of hydrogen bonds with the reaction complex, which are stronger for the TS than for the reactant, thus stabilizing the TS which leads to a further reduction of the activation energy. As shown by the ring puckering analysis, the third effect of water is space confinement of the reacting partners, conserving the boat form of the six-member ring from the entrance to the exit reaction channel. In summary, URVA combined with LMA has led to a clearer picture on how both BF3 catalyst and aqueous environment in a synchronized effort lower the reaction barrier. These new insights will serve to further fine-tune the DA reaction of methyl acrylate and butadiene and DA reactions in general. Full article
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15 pages, 7488 KB  
Article
On the Optimal Selection of Flux Barrier Reconfiguration for a Five-Phase Permanent Magnet Assisted Synchronous Reluctance Machine for Low-Torque Ripple Application
by Hamidreza Ghorbani, Mohammadreza Moradian and Mohamed Benbouzid
Electronics 2022, 11(1), 41; https://doi.org/10.3390/electronics11010041 - 23 Dec 2021
Cited by 5 | Viewed by 4110
Abstract
This paper aims to investigate the reconfigurations of rotor flux barriers for a five-phase Permanent Magnet Assisted Synchronous Reluctance Machine (PMASynRM). To precisely study the performance of the proposed configurations, a conventional PMASynRM with double-layer flux barriers is included in the study. Since [...] Read more.
This paper aims to investigate the reconfigurations of rotor flux barriers for a five-phase Permanent Magnet Assisted Synchronous Reluctance Machine (PMASynRM). To precisely study the performance of the proposed configurations, a conventional PMASynRM with double-layer flux barriers is included in the study. Since the novel rotor schemes consume the same amount of rare-earth magnets, steel sheet materials, and copper wire, resulting in no extra manufacturing costs, the optimal reconfiguration should be determined, providing developed electromagnetic characteristics. Thus, all the proposed models are designed and analyzed under the same condition. The Lumped Parameter Model (LPM) is exported to the Finite Element Method (FEM) for precise analysis to reach developed torque and lower values of torque ripple. Based on the FEM results the model presenting the lowest torque fluctuations is selected as the optimal model and dynamically investigated. According to the results, in comparison with the conventional model, the introduced rotor designs provide a much lower value of torque fluctuations with a desirable amount of electromagnetic torque and power. In addition, the optimal model presents high values of power factor and efficiency, making it a vital alternative for low-torque ripple high-speed operations with no extra cost to the implementation process. Full article
(This article belongs to the Special Issue Robust Design Optimization of Electrical Machines and Devices)
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