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14 pages, 2283 KiB  
Article
Conformational Modulation of Tissue Transglutaminase via Active Site Thiol Alkylating Agents: Size Does Not Matter
by Pauline Navals, Alana M. M. Rangaswamy, Petr Kasyanchyk, Maxim V. Berezovski and Jeffrey W. Keillor
Biomolecules 2024, 14(4), 496; https://doi.org/10.3390/biom14040496 (registering DOI) - 19 Apr 2024
Abstract
TG2 is a unique member of the transglutaminase family as it undergoes a dramatic conformational change, allowing its mutually exclusive function as either a cross-linking enzyme or a G-protein. The enzyme’s dysregulated activity has been implicated in a variety of pathologies (e.g., celiac [...] Read more.
TG2 is a unique member of the transglutaminase family as it undergoes a dramatic conformational change, allowing its mutually exclusive function as either a cross-linking enzyme or a G-protein. The enzyme’s dysregulated activity has been implicated in a variety of pathologies (e.g., celiac disease, fibrosis, cancer), leading to the development of a wide range of inhibitors. Our group has primarily focused on the development of peptidomimetic targeted covalent inhibitors, the nature and size of which were thought to be important features to abolish TG2’s conformational dynamism and ultimately inhibit both its activities. However, we recently demonstrated that the enzyme was unable to bind guanosine triphosphate (GTP) when catalytically inactivated by small molecule inhibitors. In this study, we designed a library of models targeting covalent inhibitors of progressively smaller sizes (15 to 4 atoms in length). We evaluated their ability to inactivate TG2 by measuring their respective kinetic parameters kinact and KI. Their impact on the enzyme’s ability to bind GTP was then evaluated and subsequently correlated to the conformational state of the enzyme, as determined via native PAGE and capillary electrophoresis. All irreversible inhibitors evaluated herein locked TG2 in its open conformation and precluded GTP binding. Therefore, we conclude that steric bulk and structural complexity are not necessary factors to consider when designing TG2 inhibitors to abolish G-protein activity. Full article
(This article belongs to the Special Issue Transglutaminases: Regulation, Imaging, and Applications)
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25 pages, 14119 KiB  
Article
Dynamic Analysis of Three-Rotor System with Hollow Shaft under Clutch Misalignment
by Guofang Nan, Haoyu Wang and Dengliang Yu
Aerospace 2024, 11(4), 319; https://doi.org/10.3390/aerospace11040319 (registering DOI) - 19 Apr 2024
Abstract
Rotor system of aviation engines is often made of multiple rotors connected by the clutch. Due to manufacturing and assembly errors, there is a clutch misalignment, including the parallel misalignment and the angle misalignment. This misalignment produces additional torque in the operation of [...] Read more.
Rotor system of aviation engines is often made of multiple rotors connected by the clutch. Due to manufacturing and assembly errors, there is a clutch misalignment, including the parallel misalignment and the angle misalignment. This misalignment produces additional torque in the operation of the system, leading to an abnormal increase in its oscillation, which causes the rubbing between the stator and the rotor. The rub-collision poses great harm to the safety and stability of the aero-engine. The analytical model of the rotor system with misalignment and rubbing faults is established, and the influence of the rotational speed, the misalignment, and the rubbing on the nonlinear characteristics of the rotor is investigated. Considering the nonlinear Hertz contact force and bearing gap, the model of the inter-shaft bearing is built; the parallel and angle misalignments of clutch are taken into account to analyze the characteristic frequency of the faults. For raising the thrust-to-weight ratio of aviation engines, the hollow shaft is often adopted, and the effect of the wall thickness for the shaft on the nonlinear vibration of the system is also investigated. It is innovative to study the transfer mechanism from wall thickness to the nonlinear vibrational responses of the overall structure. The result indicates that, with the increase in the wall thickness of the shaft, the second critical rotating speed increases, while the first critical rotating speed is almost unchanged. The characteristic frequencies for the three-rotor system with coupling faults are obtained. Despite intuition, the parallel misalignment can inhibit rub-collision vibration to a certain extent. The research has important reference values for the fault recognition and structural optimization of the three-rotor system. Full article
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30 pages, 12906 KiB  
Article
Research on Dynamic Pig Counting Method Based on Improved YOLOv7 Combined with DeepSORT
by Xiaobao Shao, Chengcheng Liu, Zhixuan Zhou, Wenjing Xue, Guoye Zhang, Jianyu Liu and Hongwen Yan
Animals 2024, 14(8), 1227; https://doi.org/10.3390/ani14081227 (registering DOI) - 19 Apr 2024
Abstract
A pig inventory is a crucial component of achieving precise and large-scale farming. In complex pigsty environments, due to pigs’ stress reactions and frequent obstructions, it is challenging to count them accurately and automatically. This difficulty contrasts with most current deep learning studies, [...] Read more.
A pig inventory is a crucial component of achieving precise and large-scale farming. In complex pigsty environments, due to pigs’ stress reactions and frequent obstructions, it is challenging to count them accurately and automatically. This difficulty contrasts with most current deep learning studies, which rely on overhead views or static images for counting. This research proposes a video-based dynamic counting method, combining YOLOv7 with DeepSORT. By utilizing the YOLOv7 network structure and optimizing the second and third 3 × 3 convolution operations in the head network ELAN-W with PConv, the model reduces the computational demand and improves the inference speed without sacrificing accuracy. To ensure that the network acquires accurate position perception information at oblique angles and extracts rich semantic information, we introduce the coordinate attention (CA) mechanism before the three re-referentialization paths (REPConv) in the head network, enhancing robustness in complex scenarios. Experimental results show that, compared to the original model, the improved model increases the mAP by 3.24, 0.05, and 1.00 percentage points for oblique, overhead, and all pig counting datasets, respectively, while reducing the computational cost by 3.6 GFLOPS. The enhanced YOLOv7 outperforms YOLOv5, YOLOv4, YOLOv3, Faster RCNN, and SSD in target detection with mAP improvements of 2.07, 5.20, 2.16, 7.05, and 19.73 percentage points, respectively. In dynamic counting experiments, the improved YOLOv7 combined with DeepSORT was tested on videos with total pig counts of 144, 201, 285, and 295, yielding errors of -3, -3, -4, and -26, respectively, with an average accuracy of 96.58% and an FPS of 22. This demonstrates the model’s capability of performing the real-time counting of pigs in various scenes, providing valuable data and references for automated pig counting research. Full article
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23 pages, 7018 KiB  
Article
Non-Intrusive Load Monitoring Based on Multiscale Attention Mechanisms
by Lei Yao, Jinhao Wang and Chen Zhao
Energies 2024, 17(8), 1944; https://doi.org/10.3390/en17081944 (registering DOI) - 19 Apr 2024
Abstract
With the development of smart grids and new power systems, the combination of non-intrusive load identification technology and smart home technology can provide users with the operating conditions of home appliances and equipment, thus reducing home energy loss and improving users’ ability to [...] Read more.
With the development of smart grids and new power systems, the combination of non-intrusive load identification technology and smart home technology can provide users with the operating conditions of home appliances and equipment, thus reducing home energy loss and improving users’ ability to demand a response. This paper proposes a non-intrusive load decomposition model with a parallel multiscale attention mechanism (PMAM). The model can extract both local and global feature information and fuse it through a parallel multiscale network. This improves the attention mechanism’s ability to capture feature information over long time periods. To validate the model’s decomposition ability, we combined the PMAM model with four benchmark models: the Long Short-Term Memory (LSTM) recurrent neural network model, the Time Pooling-based Load Disaggregation Model (TPNILM), the Extreme Learning Machine (ELM), and the Load Disaggregation Model without Parallel Multi-scalar Attention Mechanisms (UNPMAM). The model was trained on the publicly available UK-DALE dataset and tested. The models’ test results were quantitatively evaluated using a confusion matrix. This involved calculating the F1 score of the load decomposition. A higher F1 score indicates better model decomposition performance. The results indicate that the PMAM model proposed in this paper maintains an F1 score above 0.9 for the decomposition of three types of electrical equipment under the same household user, which is 3% higher than that of the other benchmark models on average. In the cross-household test, the PMAM also demonstrated a better decomposition ability, with the F1 score maintained above 0.85, and the mean absolute error (MAE) decreased by 5.3% on average compared with that of the UNPMAM. Full article
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17 pages, 2258 KiB  
Article
Effects of Cannabidiol, ∆9-Tetrahydrocannabinol, and WIN 55-212-22 on the Viability of Canine and Human Non-Hodgkin Lymphoma Cell Lines
by Saba Omer, Suhrud Pathak, Mahmoud Mansour, Rishi Nadar, Dylan Bowen, Muralikrishnan Dhanasekaran, Satyanarayana R. Pondugula and Dawn Boothe
Biomolecules 2024, 14(4), 495; https://doi.org/10.3390/biom14040495 (registering DOI) - 19 Apr 2024
Abstract
In our previous study, we demonstrated the impact of overexpression of CB1 and CB2 cannabinoid receptors and the inhibitory effect of endocannabinoids (2-arachidonoylglycerol (2-AG) and Anandamide (AEA)) on canine (Canis lupus familiaris) and human (Homo sapiens) non-Hodgkin lymphoma [...] Read more.
In our previous study, we demonstrated the impact of overexpression of CB1 and CB2 cannabinoid receptors and the inhibitory effect of endocannabinoids (2-arachidonoylglycerol (2-AG) and Anandamide (AEA)) on canine (Canis lupus familiaris) and human (Homo sapiens) non-Hodgkin lymphoma (NHL) cell lines’ viability compared to cells treated with a vehicle. The purpose of this study was to demonstrate the anti-cancer effects of the phytocannabinoids, cannabidiol (CBD) and ∆9-tetrahydrocannabinol (THC), and the synthetic cannabinoid WIN 55-212-22 (WIN) in canine and human lymphoma cell lines and to compare their inhibitory effect to that of endocannabinoids. We used malignant canine B-cell lymphoma (BCL) (1771 and CLB-L1) and T-cell lymphoma (TCL) (CL-1) cell lines, and human BCL cell line (RAMOS). Our cell viability assay results demonstrated, compared to the controls, a biphasic effect (concentration range from 0.5 μM to 50 μM) with a significant reduction in cancer viability for both phytocannabinoids and the synthetic cannabinoid. However, the decrease in cell viability in the TCL CL-1 line was limited to CBD. The results of the biochemical analysis using the 1771 BCL cell line revealed a significant increase in markers of oxidative stress, inflammation, and apoptosis, and a decrease in markers of mitochondrial function in cells treated with the exogenous cannabinoids compared to the control. Based on the IC50 values, CBD was the most potent phytocannabinoid in reducing lymphoma cell viability in 1771, Ramos, and CL-1. Previously, we demonstrated the endocannabinoid AEA to be more potent than 2-AG. Our study suggests that future studies should use CBD and AEA for further cannabinoid testing as they might reduce tumor burden in malignant NHL of canines and humans. Full article
(This article belongs to the Special Issue New Advances of Cannabinoid Receptors in Health and Disease)
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27 pages, 1577 KiB  
Review
Fundamentals of Electron Cyclotron Resonance and Cyclotron Autoresonance in Gyro-Devices: A Comprehensive Review of Theory
by Svilen Sabchevski
Appl. Sci. 2024, 14(8), 3443; https://doi.org/10.3390/app14083443 (registering DOI) - 19 Apr 2024
Abstract
This paper aims to present some selected fundamentals of the theory of a broad class of gyro-devices in a systematic and consistent manner and with sufficient detail necessary for understanding the underlying physical principles of their operation. The focus of this work is [...] Read more.
This paper aims to present some selected fundamentals of the theory of a broad class of gyro-devices in a systematic and consistent manner and with sufficient detail necessary for understanding the underlying physical principles of their operation. The focus of this work is on the derivation and analysis of important invariants (constants of motion), as well as on comments concerning their analytical power and the physical insights they provide. Full article
(This article belongs to the Section Applied Physics General)
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14 pages, 7870 KiB  
Article
Transcriptomic Analysis of Flower Color Changes in Impatiens uliginosa in Response to Copper Stress
by Yi Tan, Xiaoli Zhang, Qinmei Li, Xinyi Li, Liang Luo, Haihao He, Guangrong Liang, Haiquan Huang and Meijuan Huang
Horticulturae 2024, 10(4), 412; https://doi.org/10.3390/horticulturae10040412 (registering DOI) - 19 Apr 2024
Abstract
Impatiens uliginosa is a native and potential water body-restoring ornamental plant. In this study, RNA-Seq technology was used to analyze the transcriptome of its floral organs. Candidate genes related to flower color changes under copper stress were investigated through transcriptome screening, and the [...] Read more.
Impatiens uliginosa is a native and potential water body-restoring ornamental plant. In this study, RNA-Seq technology was used to analyze the transcriptome of its floral organs. Candidate genes related to flower color changes under copper stress were investigated through transcriptome screening, and the intrinsic mechanism of the effects of different concentrations of copper on I. uliginosa was revealed at the molecular level. The main findings were as follows: (1) Transcriptome sequencing analysis was performed on the flower organs of I. uliginosa treated with different concentrations of copper (0 mg·L−1, 10 mg·L−1, and 20 mg·L−1). A total of 70,319 transcripts and 39,949 unigenes were obtained. An analysis of differentially expressed genes revealed structural genes including GT, ANS, CHI, and PAL; transcription factors including MYB and WD40; and transport factors including GST and ABC. (2) The gene expression levels of flower color changed in the flowering period of I. uliginosa at different copper concentrations. The expression levels of IuGT and IuGST genes in I. uliginosa were significantly different under different concentrations of copper treatments. Their expression levels were the highest at a copper concentration of 0 mg·L−1 and the lowest at 20 mg·L−1. In summary, the low expression of IuGT and IuGST genes was more conducive to the formation of white flowers of I. uliginosa. Full article
(This article belongs to the Special Issue Physiological and Molecular Biology Research on Ornamental Flower)
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18 pages, 3667 KiB  
Article
Influence of Floodplain Forest Structure on Overbank Sediment and Phosphorus Deposition in an Agriculturally Dominated Watershed in Iowa, USA
by Sierra Geer, William Beck, Emily Zimmerman and Richard Schultz
Hydrology 2024, 11(4), 57; https://doi.org/10.3390/hydrology11040057 (registering DOI) - 19 Apr 2024
Abstract
This study sought to estimate the potential impact of floodplain forest vegetation on sediment and phosphorus loading along the Iowa River in Iowa, USA. Thirty monitoring plots were established in forested conservation easements and similar public land along the Iowa River within the [...] Read more.
This study sought to estimate the potential impact of floodplain forest vegetation on sediment and phosphorus loading along the Iowa River in Iowa, USA. Thirty monitoring plots were established in forested conservation easements and similar public land along the Iowa River within the spatial extent of the two-, five-, and ten-year-flood return intervals. Within these plots, we examined the structure and cover of ground and overstory vegetation, as well as related metrics. Historic sediment and phosphorus fluxes were determined using a combination of sediment core extraction and tree ring analysis. The results show that deposition rates weakly correlate with tall grass and tall, medium, and short forb categories in the springtime but correlate with only short and medium grass and forb categories in late summer. Soil phosphorus concentration correlated weakly with overstory forest characteristics and springtime grass cover. Distance from the channel was negatively correlated with deposition. Overall, 4 to 50% (median = 15.5%) of the annual sediment load is represented by the deposition in adjacent floodplain forests. This study demonstrates the potential importance of floodplain easement forest vegetation in contributing to sediment and phosphorus attenuation during flood events. Full article
(This article belongs to the Special Issue Advances in River and Floodplain Interactions)
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13 pages, 5134 KiB  
Article
Exploring the Effects of Nano-CaCO3 on the Core–Shell Structure and Properties of HDPE/POE/Nano-CaCO3 Ternary Nanocomposites
by Wei Liu, Lumin Wang, Xun Zhang, Hongliang Huang, Yongli Liu and Minghua Min
Polymers 2024, 16(8), 1146; https://doi.org/10.3390/polym16081146 (registering DOI) - 19 Apr 2024
Abstract
To address the dilemma of the stiffness and toughness properties of high-density polyethylene (HDPE) composites, titanate coupling agent-treated CaCO3 nanoparticles (nano-CaCO3) and ethylene–octene copolymer (POE) were utilized to blend with HDPE to prepare ternary nanocomposites via a two-sequence-step process. Meanwhile, [...] Read more.
To address the dilemma of the stiffness and toughness properties of high-density polyethylene (HDPE) composites, titanate coupling agent-treated CaCO3 nanoparticles (nano-CaCO3) and ethylene–octene copolymer (POE) were utilized to blend with HDPE to prepare ternary nanocomposites via a two-sequence-step process. Meanwhile, a one-step process was also studied as a control. The obtained ternary nanocomposites were characterized by scanning electron microscopy (SEM), Advanced Rheometrics Expansion System (ARES), Dynamic Mechanical Analysis (DMA), wide-angle X-ray diffraction analysis (WXRD), and mechanical test. The SEM results showed one or two CaCO3 nanoparticles were well-encapsulated by POE and were uniformly dispersed into the HDPE matrix to form a core–shell structure of 100–200 nm in size by the two-step process, while CaCO3 nanoparticles were aggregated in the HDPE matrix by the one-step method. The result of the XRD showed that the nano-CaCO3 particle played a role in promoting crystallization in HDPE nanocomposites. Mechanical tests showed that the synergistic effect of both the POE elastomer and CaCO3 nanoparticles should account for the balanced performance of the ternary composites. In comparison with neat HDPE, the notched impact toughness of the ternary nanocomposites of HDPE/POE/nano-CaCO3 was significantly increased. In addition, the core–shell structure absorbed the fracture impact energy and prevent further propagation of micro-cracks, thus obtaining a higher notched Izod impact strength. Full article
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16 pages, 318 KiB  
Review
Oral Mycobiota: A Narrative Review
by Carmen Liliana Defta, Cristina-Crenguţa Albu, Ştefan-Dimitrie Albu and Claudia Florina Bogdan-Andreescu
Dent. J. 2024, 12(4), 115; https://doi.org/10.3390/dj12040115 (registering DOI) - 19 Apr 2024
Abstract
Numerous studies have proven the important role of the oral microbiota in health and disease. The dysfunctionality of the oral microbiota, known as dysbiosis, is incriminated in dental caries, periodontal disease, oral infectious diseases, oral cancer, and systemic disease. The lesser-known component of [...] Read more.
Numerous studies have proven the important role of the oral microbiota in health and disease. The dysfunctionality of the oral microbiota, known as dysbiosis, is incriminated in dental caries, periodontal disease, oral infectious diseases, oral cancer, and systemic disease. The lesser-known component of the oral microbiota, the mycobiota, is now assiduously investigated. Recent technological developments have helped foster the identification of new fungal species based on genomic research. Next-generation sequencing has expanded our knowledge about the diversity, architecture, and relationships of oral microorganisms within the oral cavity. The mycobiome structure and relationships with the bacteriome have been studied to identify a mycobiotic signature. This review aimed to emphasize the latest knowledge of the oral mycobiome. Full article
(This article belongs to the Special Issue Rising Stars: Oral Infections and Microbes)
33 pages, 10616 KiB  
Article
Theoretical and Experimental Analysis of Hydroxyl and Epoxy Group Effects on Graphene Oxide Properties
by Ximena Jaramillo-Fierro and Guisella Cuenca
Nanomaterials 2024, 14(8), 714; https://doi.org/10.3390/nano14080714 (registering DOI) - 19 Apr 2024
Abstract
In this study, we analyzed the impact of hydroxyl and epoxy groups on the properties of graphene oxide (GO) for the adsorption of methylene blue (MB) dye from water, addressing the urgent need for effective water purification methods due to industrial pollution. Employing [...] Read more.
In this study, we analyzed the impact of hydroxyl and epoxy groups on the properties of graphene oxide (GO) for the adsorption of methylene blue (MB) dye from water, addressing the urgent need for effective water purification methods due to industrial pollution. Employing a dual approach, we integrated experimental techniques with theoretical modeling via density functional theory (DFT) to examine the atomic structure of GO and its adsorption capabilities. The methodology encompasses a series of experiments to evaluate the performance of GO in MB dye adsorption under different conditions, including differences in pH, dye concentration, reaction temperature, and contact time, providing a comprehensive view of its effectiveness. Theoretical DFT calculations provide insights into how hydroxyl and epoxy modifications alter the electronic properties of GO, improving adsorption efficiency. The results demonstrate a significant improvement in the dye adsorption capacity of GO, attributed to the interaction between the functional groups and MB molecules. This study not only confirms the potential of GO as a superior adsorbent for water treatment, but also contributes to the optimization of GO-based materials for environmental remediation, highlighting the synergy between experimental observations and theoretical predictions in advances in materials science to improve sustainability. Full article
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15 pages, 881 KiB  
Article
Effectiveness of Partially Hydrolyzed Guar Gum on Cognitive Function and Sleep Efficiency in Healthy Elderly Subjects in a Randomized, Double-Blind, Placebo-Controlled, and Parallel-Group Study
by Aya Abe, Mahendra Parkash Kapoor, So Morishima, Makoto Ozeki, Norio Sato, Tsuyoshi Takara and Yuji Naito
Nutrients 2024, 16(8), 1211; https://doi.org/10.3390/nu16081211 (registering DOI) - 19 Apr 2024
Abstract
The consumption of functional foods in a daily diet is a promising approach for the maintenance of cognitive health. The present study examines the effects of water-soluble prebiotic dietary-fiber, partially hydrolyzed guar gum (PHGG), on cognitive function and mental health in healthy elderly [...] Read more.
The consumption of functional foods in a daily diet is a promising approach for the maintenance of cognitive health. The present study examines the effects of water-soluble prebiotic dietary-fiber, partially hydrolyzed guar gum (PHGG), on cognitive function and mental health in healthy elderly individuals. Participants consumed either 5 g/day of PHGG or a placebo daily for 12 weeks in this randomized, double-blind, placebo-controlled, and parallel-group study. An assessment of cognitive functions, sleep quality, and subjective mood evaluations was performed at baseline and after 8 and 12 weeks of either PHGG or placebo intake. The visual memory scores in cognitive function tests and sleepiness on rising scores related to sleep quality were significantly improved in the PHGG group compared to the placebo group. No significant differences were observed in mood parameters between the groups. Vigor–activity scores were significantly improved, while the scores for Confusion–Bewilderment decreased significantly in the PHGG group when compared to the baseline. In summary, supplementation with PHGG was effective in improving cognitive functions, particularly visual memory, as well as enhancing sleep quality and vitality in healthy elderly individuals (UMIN000049070). Full article
(This article belongs to the Section Prebiotics and Probiotics)
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11 pages, 3307 KiB  
Article
Open-Cell Spray Polyurethane Foams Based on Biopolyols from Fruit Seed Oils
by Maria Kurańska, Elżbieta Malewska, Hubert Ożóg, Julia Sędzimir, Aleksandra Put, Natalia Kowalik, Sławomir Michałowski, Marcin Zemła, Michał Kucała and Aleksander Prociak
Polymers 2024, 16(8), 1145; https://doi.org/10.3390/polym16081145 (registering DOI) - 19 Apr 2024
Abstract
Natural oils from watermelon, cherry, black currant, grape and pomegranate fruit seeds were applied in the synthesis of biopolyols using the transesterification reaction. In this manuscript, the preparation possibility of open-cell foams from a polyurethane system in which petrochemical polyol was fully replaced [...] Read more.
Natural oils from watermelon, cherry, black currant, grape and pomegranate fruit seeds were applied in the synthesis of biopolyols using the transesterification reaction. In this manuscript, the preparation possibility of open-cell foams from a polyurethane system in which petrochemical polyol was fully replaced with biopolyols is analyzed. Firstly, polyurethane foam systems were developed on a laboratory scale, and they were next tested under industrial conditions. It was shown that the foaming method has a significant impact on the foaming process and the cell structure of obtained foams as well as their thermal insulation properties. Based on the conducted research, it was found that the method of processing the polyurethane system has a significant impact on the properties of open-cell spray foams. Foams produced under industrial conditions have a much higher cell density, which has a positive effect on their selected physical–mechanical properties compared to foams produced on a laboratory scale. The open-cell biofoams obtained using a high-pressure machine had apparent densities 12–17 kg/m3, thermal conductivity coefficients 35–37 mW/m·K, closed-cell contents < 10% and were dimensionally stable at low and high temperatures. Full article
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21 pages, 9265 KiB  
Article
Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning
by Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei and Jianzhong Chen
Molecules 2024, 29(8), 1857; https://doi.org/10.3390/molecules29081857 (registering DOI) - 19 Apr 2024
Abstract
Bromodomain 4 and 9 (BRD4 and BRD9) have been regarded as important targets of drug designs in regard to the treatment of multiple diseases. In our current study, molecular dynamics (MD) simulations, deep learning (DL) and binding free energy calculations are integrated to [...] Read more.
Bromodomain 4 and 9 (BRD4 and BRD9) have been regarded as important targets of drug designs in regard to the treatment of multiple diseases. In our current study, molecular dynamics (MD) simulations, deep learning (DL) and binding free energy calculations are integrated to probe the binding modes of three inhibitors (H1B, JQ1 and TVU) to BRD4 and BRD9. The MD trajectory-based DL successfully identify significant functional function domains, such as BC-loop and ZA-loop. The information from the post-processing analysis of MD simulations indicates that inhibitor binding highly influences the structural flexibility and dynamic behavior of BRD4 and BRD9. The results of the MM-GBSA calculations not only suggest that the binding ability of H1B, JQ1 and TVU to BRD9 are stronger than to BRD4, but they also verify that van der Walls interactions are the primary forces responsible for inhibitor binding. The hot spots of BRD4 and BRD9 revealed by residue-based free energy estimation provide target sites of drug design in regard to BRD4 and BRD9. This work is anticipated to provide useful theoretical aids for the development of selective inhibitors over BRD family members. Full article
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12 pages, 738 KiB  
Review
A Systematic Review of Bone Bruise Patterns following Acute Anterior Cruciate Ligament Tears: Insights into the Mechanism of Injury
by Sueen Sohn, Saad Mohammed AlShammari, Byung Jun Hwang and Man Soo Kim
Bioengineering 2024, 11(4), 396; https://doi.org/10.3390/bioengineering11040396 (registering DOI) - 19 Apr 2024
Abstract
(1) Background: The purpose of this systematic review was to determine the prevalence of bone bruises in patients with anterior cruciate ligament (ACL) injuries and the location of the bruises relative to the tibia and femur. Understanding the relative positions of these bone [...] Read more.
(1) Background: The purpose of this systematic review was to determine the prevalence of bone bruises in patients with anterior cruciate ligament (ACL) injuries and the location of the bruises relative to the tibia and femur. Understanding the relative positions of these bone bruises could enhance our comprehension of the knee loading patterns that occur during an ACL injury. (2) Methods: The MEDLINE, EMBASE, and the Cochrane Library databases were searched for studies that evaluated the presence of bone bruises following ACL injuries. Study selection, data extraction, and a systematic review were performed. (3) Results: Bone bruises were observed in 3207 cases (82.8%) at the lateral tibia plateau (LTP), 1608 cases (41.5%) at the medial tibia plateau (MTP), 2765 cases (71.4%) at the lateral femoral condyle (LFC), and 1257 cases (32.4%) at the medial femoral condyle (MFC). Of the 30 studies, 11 were able to assess the anterior to posterior direction. The posterior LTP and center LFC were the most common areas of bone bruises. Among the 30 studies, 14 documented bone bruises across all four sites (LTP, MTP, LFC, and MFC). The most common pattern was bone bruises appearing at the LTP and LFC. (4) Conclusions: The most frequently observed pattern of bone bruises was restricted to the lateral aspects of both the tibia and femur. In cases where bone bruises were present on both the lateral and medial sides, those on the lateral side exhibited greater severity. The positioning of bone bruises along the front–back axis indicated a forward shift of the tibia in relation to the femur during ACL injuries. Full article
(This article belongs to the Special Issue Biomechanics of Sports Injuries)
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24 pages, 8562 KiB  
Article
The Changes in Multiscale Solar Wind Fluctuations on the Path from the Sun to Earth
by Igor D. Volodin, Maria O. Riazantseva, Liudmila S. Rakhmanova, Alexander A. Khokhlachev and Yuri I. Yermolaev
Universe 2024, 10(4), 186; https://doi.org/10.3390/universe10040186 (registering DOI) - 19 Apr 2024
Abstract
This paper is devoted to the analysis of fluctuations in the solar wind plasma and interplanetary magnetic field parameters observed by Solar Orbiter and WIND spacecraft at different scales ranging from ~103 to 107 km. We consider two long data intervals [...] Read more.
This paper is devoted to the analysis of fluctuations in the solar wind plasma and interplanetary magnetic field parameters observed by Solar Orbiter and WIND spacecraft at different scales ranging from ~103 to 107 km. We consider two long data intervals where the distances between the spacecraft are 0.1 and 0.5 AU, respectively, and they are located close to the Sun–Earth line. Transformation of the fluctuation’s properties on the way from the Sun to Earth is analyzed for different types of solar wind associated with quasi-stationary and transient solar phenomena. The time series of bulk speed are shown to undergo a slight modification, even for large spacecraft separation, while the time series of the interplanetary magnetic field magnitude and components as well as proton density may be transformed even at a relatively short distance. Though the large-scale solar wind structures propagate the distance up to 0.5 AU without significant change, local structures at smaller scales may be modified. The statistical properties of the fluctuations such as relative standard deviation or probability distribution function and its moments remain nearly unchanged at different distances between the two spacecraft and are likely to depend mostly on the type of the solar wind. Full article
(This article belongs to the Special Issue The Multi-Scale Dynamics of Solar Wind)
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13 pages, 1710 KiB  
Article
Improvement in Motor and Walking Capacity during Multisegmental Transcutaneous Spinal Stimulation in Individuals with Incomplete Spinal Cord Injury
by Hatice Kumru, Aina Ros-Alsina, Loreto García Alén, Joan Vidal, Yury Gerasimenko, Agusti Hernandez and Mark Wrigth
Int. J. Mol. Sci. 2024, 25(8), 4480; https://doi.org/10.3390/ijms25084480 (registering DOI) - 19 Apr 2024
Abstract
Transcutaneous multisegmental spinal cord stimulation (tSCS) has shown superior efficacy in modulating spinal locomotor circuits compared to single-site stimulation in individuals with spinal cord injury (SCI). Building on these findings, we hypothesized that administering a single session of tSCS at multiple spinal segments [...] Read more.
Transcutaneous multisegmental spinal cord stimulation (tSCS) has shown superior efficacy in modulating spinal locomotor circuits compared to single-site stimulation in individuals with spinal cord injury (SCI). Building on these findings, we hypothesized that administering a single session of tSCS at multiple spinal segments may yield greater enhancements in muscle strength and gait function during stimulation compared to tSCS at only one or two segments. In our study, tSCS was applied at single segments (C5, L1, and Coc1), two segments (C5-L1, C5-Coc1, and L1-Coc1), or multisegments (C5-L1-Coc1) in a randomized order. We evaluated the 6-m walking test (6MWT) and maximum voluntary contraction (MVC) and assessed the Hmax/Mmax ratio during stimulation in ten individuals with incomplete motor SCI. Our findings indicate that multisegmental tSCS improved walking time and reduced spinal cord excitability, as measured by the Hmax/Mmax ratio, similar to some single or two-site tSCS interventions. However, only multisegmental tSCS resulted in increased tibialis anterior (TA) muscle strength. These results suggest that multisegmental tSCS holds promise for enhancing walking capacity, increasing muscle strength, and altering spinal cord excitability in individuals with incomplete SCI. Full article
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38 pages, 1277 KiB  
Article
On the Initialization of Swarm Intelligence Algorithms for Vector Quantization Codebook Design
by Verusca Severo, Felipe B. S. Ferreira, Rodrigo Spencer, Arthur Nascimento and Francisco Madeiro
Sensors 2024, 24(8), 2606; https://doi.org/10.3390/s24082606 (registering DOI) - 19 Apr 2024
Abstract
Vector Quantization (VQ) is a technique with a wide range of applications. For example, it can be used for image compression. The codebook design for VQ has great significance in the quality of the quantized signals and can benefit from the use of [...] Read more.
Vector Quantization (VQ) is a technique with a wide range of applications. For example, it can be used for image compression. The codebook design for VQ has great significance in the quality of the quantized signals and can benefit from the use of swarm intelligence. Initialization of the Linde–Buzo–Gray (LBG) algorithm, which is the most popular VQ codebook design algorithm, is a step that directly influences VQ performance, as the convergence speed and codebook quality depend on the initial codebook. A widely used initialization alternative is random initialization, in which the initial set of codevectors is drawn randomly from the training set. Other initialization methods can lead to a better quality of the designed codebooks. The present work evaluates the impacts of initialization strategies on swarm intelligence algorithms for codebook design in terms of the quality of the designed codebooks, assessed by the quality of the reconstructed images, and in terms of the convergence speed, evaluated by the number of iterations. Initialization strategies consist of a combination of codebooks obtained by initialization algorithms from the literature with codebooks composed of vectors randomly selected from the training set. The possibility of combining different initialization techniques provides new perspectives in the search for the quality of the VQ codebooks. Nine initialization strategies are presented, which are compared with random initialization. Initialization strategies are evaluated on the following algorithms for codebook design based on swarm clustering: modified firefly algorithm—Linde–Buzo–Gray (M-FA-LBG), modified particle swarm optimization—Linde–Buzo–Gray (M-PSO-LBG), modified fish school search—Linde–Buzo–Gray (M-FSS-LBG) and their accelerated versions (M-FA-LBGa, M-PSO-LBGa and M-FSS-LBGa) which are obtained by replacing the LBG with the accelerated LBG algorithm. The simulation results point out to the benefits of the proposed initialization strategies. The results show gains up to 4.43 dB in terms of PSNR for image Clock with M-PSO-LBG codebooks of size 512 and codebook design time savings up to 67.05% for image Clock, with M-FF-LBGa codebooks with size N=512, by using initialization strategies in substitution to Random initialization. Full article
(This article belongs to the Section Intelligent Sensors)
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10 pages, 1759 KiB  
Case Report
Genome Sequencing in an Individual Presenting with 22q11.2 Deletion Syndrome and Juvenile Idiopathic Arthritis
by Ruy Pires de Oliveira-Sobrinho, Simone Appenzeller, Ianne Pessoa Holanda, Júlia Lôndero Heleno, Josep Jorente, on behalf of the Rare Genomes Project Consortium, Társis Paiva Vieira and Carlos Eduardo Steiner
Genes 2024, 15(4), 513; https://doi.org/10.3390/genes15040513 (registering DOI) - 19 Apr 2024
Abstract
Juvenile idiopathic arthritis is a heterogeneous group of diseases characterized by arthritis with poorly known causes, including monogenic disorders and multifactorial etiology. 22q11.2 proximal deletion syndrome is a multisystemic disease with over 180 manifestations already described. In this report, the authors describe a [...] Read more.
Juvenile idiopathic arthritis is a heterogeneous group of diseases characterized by arthritis with poorly known causes, including monogenic disorders and multifactorial etiology. 22q11.2 proximal deletion syndrome is a multisystemic disease with over 180 manifestations already described. In this report, the authors describe a patient presenting with a short stature, neurodevelopmental delay, and dysmorphisms, who had an episode of polyarticular arthritis at the age of three years and eight months, resulting in severe joint limitations, and was later diagnosed with 22q11.2 deletion syndrome. Investigation through Whole Genome Sequencing revealed that he had no pathogenic or likely-pathogenic variants in both alleles of the MIF gene or in genes associated with monogenic arthritis (LACC1, LPIN2, MAFB, NFIL3, NOD2, PRG4, PRF1, STX11, TNFAIP3, TRHR, UNC13DI). However, the patient presented 41 risk polymorphisms for juvenile idiopathic arthritis. Thus, in the present case, arthritis seems coincidental to 22q11.2 deletion syndrome, probably caused by a multifactorial etiology. The association of the MIF gene in individuals previously described with juvenile idiopathic arthritis and 22q11.2 deletion seems unlikely since it is located in the distal and less-frequently deleted region of 22q11.2 deletion syndrome. Full article
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21 pages, 3643 KiB  
Article
Enhancing Legal Sentiment Analysis: A Convolutional Neural Network–Long Short-Term Memory Document-Level Model
by Bolanle Abimbola, Enrique de La Cal Marin and Qing Tan
Mach. Learn. Knowl. Extr. 2024, 6(2), 877-897; https://doi.org/10.3390/make6020041 (registering DOI) - 19 Apr 2024
Abstract
This research investigates the application of deep learning in sentiment analysis of Canadian maritime case law. It offers a framework for improving maritime law and legal analytic policy-making procedures. The automation of legal document extraction takes center stage, underscoring the vital role sentiment [...] Read more.
This research investigates the application of deep learning in sentiment analysis of Canadian maritime case law. It offers a framework for improving maritime law and legal analytic policy-making procedures. The automation of legal document extraction takes center stage, underscoring the vital role sentiment analysis plays at the document level. Therefore, this study introduces a novel strategy for sentiment analysis in Canadian maritime case law, combining sentiment case law approaches with state-of-the-art deep learning techniques. The overarching goal is to systematically unearth hidden biases within case law and investigate their impact on legal outcomes. Employing Convolutional Neural Network (CNN)- and long short-term memory (LSTM)-based models, this research achieves a remarkable accuracy of 98.05% for categorizing instances. In contrast, conventional machine learning techniques such as support vector machine (SVM) yield an accuracy rate of 52.57%, naïve Bayes at 57.44%, and logistic regression at 61.86%. The superior accuracy of the CNN and STM model combination underscores its usefulness in legal sentiment analysis, offering promising future applications in diverse fields like legal analytics and policy design. These findings mark a significant choice for AI-powered legal tools, presenting more sophisticated and sentiment-aware options for the legal profession. Full article
(This article belongs to the Section Learning)
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17 pages, 2855 KiB  
Review
Recent Progress in Two-Dimensional Nanomaterials for Flame Retardance and Fire-Warning Applications
by Weiliang Lin, Yao Yuan, Lulu Xu and Wei Wang
Molecules 2024, 29(8), 1858; https://doi.org/10.3390/molecules29081858 (registering DOI) - 19 Apr 2024
Abstract
Graphene-like 2D nanomaterials, such as graphene, MXene, molybdenum disulfide, and boron nitride, present a promising avenue for eco-friendly flame retardants. Their inherent characteristics, including metal-like conductivity, high specific surface area, electron transport capacity, and solution processability, make them highly suitable for applications in [...] Read more.
Graphene-like 2D nanomaterials, such as graphene, MXene, molybdenum disulfide, and boron nitride, present a promising avenue for eco-friendly flame retardants. Their inherent characteristics, including metal-like conductivity, high specific surface area, electron transport capacity, and solution processability, make them highly suitable for applications in both structural fire protection and fire alarm systems. This review offers an up-to-date exploration of advancements in flame retardant composites, utilizing pristine graphene-like nanosheets, versatile graphene-like nanosheets with multiple functions, and collaborative systems based on these nanomaterials. Moreover, graphene-like 2D nanomaterials exhibit considerable potential in the development of early fire alarm systems, enabling timely warnings. This review provides an overview of flame-retarding and fire-warning mechanisms, diverse multifunctional nanocomposites, and the evolving trends in the development of fire alarm systems anchored in graphene-like 2D nanomaterials and their derivatives. Ultimately, the existing challenges and prospective directions for the utilization of graphene-like 2D nanomaterials in flame retardant and fire-warning applications are put forward. Full article
(This article belongs to the Section Macromolecular Chemistry)
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27 pages, 7701 KiB  
Article
Characteristics of Low-Temperature Gasification Products from Wheat Straw in a Fluidized Bed Based on Cement Production Process
by Chen Dai, Tengfei He, Baosheng Jin, Qixin Gu, Shuchao Cheng, Yi Chen and Yu Cai
Energies 2024, 17(8), 1943; https://doi.org/10.3390/en17081943 (registering DOI) - 19 Apr 2024
Abstract
This study aimed to improve the safety and economy of cement production and to investigate the gasification performance and tar properties of wheat straw in a small electrically heated bubbling fluidized bed by varying three factors, namely, gasification reaction conditions, fuel quality and [...] Read more.
This study aimed to improve the safety and economy of cement production and to investigate the gasification performance and tar properties of wheat straw in a small electrically heated bubbling fluidized bed by varying three factors, namely, gasification reaction conditions, fuel quality and type, and the natural environment, so as to promote the application of the low-temperature gasification of biomass in the cement industry. The gasification experiment was carried out at temperatures of 550–700 °C, air equivalence ratios of 0.1–0.2, moisture contents of 5.25–24%, blended rubber ratios of 0–100%, and furnace vacuums of 0–0.03 within the parameter ranges, and the component analyses of the produced gases and tars were carried out by gas chromatography (GC) and gas chromatography–mass spectrometry (GC-MS). The experimental findings revealed that the optimal operating conditions for gasification were attained at a temperature of 650 °C, an equivalence ratio of 0.15, a moisture content of 5.25%, a rubber blending ratio of 0, and a vacuum degree of 0. Under these conditions, the concentrations of combustible components (H2, CH4, and CO) in the produced gas were 4.01%, 4.60%, and 21.05%, respectively. The carbon conversion rate was 62.40%, with the cold gas efficiency of 39.37%. The lower heating value of the produced gas was 5.915 MJ/Nm3, accompanied by a tar yield of 118.15 g/Nm3 and lower heating value of 3.385 MJ/Nm3. Full article
(This article belongs to the Section B: Energy and Environment)
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16 pages, 4006 KiB  
Article
Descriptive Epidemiology of Pathogens Associated with Acute Respiratory Infection in a Community-Based Study of K–12 School Children (2015–2023)
by Cristalyne Bell, Maureen Goss, Derek Norton, Shari Barlow, Emily Temte, Cecilia He, Caroline Hamer, Sarah Walters, Alea Sabry, Kelly Johnson, Guanhua Chen, Amra Uzicanin and Jonathan Temte
Pathogens 2024, 13(4), 340; https://doi.org/10.3390/pathogens13040340 (registering DOI) - 19 Apr 2024
Abstract
School-based outbreaks often precede increased incidence of acute respiratory infections in the greater community. We conducted acute respiratory infection surveillance among children to elucidate commonly detected pathogens in school settings and their unique characteristics and epidemiological patterns. The ORegon CHild Absenteeism due to [...] Read more.
School-based outbreaks often precede increased incidence of acute respiratory infections in the greater community. We conducted acute respiratory infection surveillance among children to elucidate commonly detected pathogens in school settings and their unique characteristics and epidemiological patterns. The ORegon CHild Absenteeism due to Respiratory Disease Study (ORCHARDS) is a longitudinal, laboratory-supported, school-based, acute respiratory illness (ARI) surveillance study designed to evaluate the utility of cause-specific student absenteeism monitoring for early detection of increased activity of influenza and other respiratory viruses in schools from kindergarten through 12th grade. Eligible participants with ARIs provided demographic, epidemiologic, and symptom data, along with a nasal swab or oropharyngeal specimen. Multipathogen testing using reverse-transcription polymerase chain reaction (RT-PCR) was performed on all specimens for 18 respiratory viruses and 2 atypical bacterial pathogens (Chlamydia pneumoniae and Mycoplasma pneumoniae). Between 5 January 2015 and 9 June 2023, 3498 children participated. Pathogens were detected in 2455 of 3498 (70%) specimens. Rhinovirus/enteroviruses (36%) and influenza viruses A/B (35%) were most commonly identified in positive specimens. Rhinovirus/enteroviruses and parainfluenza viruses occurred early in the academic year, followed by seasonal coronaviruses, RSV, influenza viruses A/B, and human metapneumovirus. Since its emergence in 2020, SARS-CoV-2 was detected year-round and had a higher median age than the other pathogens. A better understanding of the etiologies, presentations, and patterns of pediatric acute respiratory infections can help inform medical and public health system responses. Full article
(This article belongs to the Special Issue Recent Advances in Pediatric Infectious Diseases)
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