The 2023 MDPI Annual Report has
been released!
 
19 pages, 3942 KiB  
Article
Unraveling the Impact of Six Pentacyclic Triterpenes Regulating Metabolic Pathways on Lung Carcinoma Cells
by Anamaris Torres-Sanchez, Grace Torres, Sthephanie Estrada, Daraishka Perez, Carlos Garcia, Melissa Milian, Eddian Velazquez, Valerie Molina and Yamixa Delgado
Pharmaceuticals 2024, 17(6), 694; https://doi.org/10.3390/ph17060694 (registering DOI) - 28 May 2024
Abstract
Recently, there has been great interest in plant-derived compounds known as phytochemicals. The pentacyclic oleanane-, ursane-, and lupane-type triterpenes are phytochemicals that exert significant activity against diseases like cancer. Lung cancer is the leading cause of cancer-related death worldwide. Although chemotherapy is the [...] Read more.
Recently, there has been great interest in plant-derived compounds known as phytochemicals. The pentacyclic oleanane-, ursane-, and lupane-type triterpenes are phytochemicals that exert significant activity against diseases like cancer. Lung cancer is the leading cause of cancer-related death worldwide. Although chemotherapy is the treatment of choice for lung cancer, its effectiveness is hampered by the dose-limiting toxic effects and chemoresistance. Herein, we investigated six pentacyclic triterpenes, oleanolic acid, ursolic acid, asiatic acid, betulinic acid, betulin, and lupeol, on NSCLC A549 cells. These triterpenes have several structural variations that can influence the activation/inactivation of key cellular pathways. From our results, we determined that most of these triterpenes induced apoptosis, S-phase and G2/M-phase cycle arrest, the downregulation of ribonucleotide reductase (RR), reactive oxygen species, and caspase 3 activation. For chemoresistance markers, we found that most triterpenes downregulated the expression of MAPK/PI3K, STAT3, and PDL1. In contrast, UrA and AsA also induced DNA damage and autophagy. Then, we theoretically determined other possible molecular targets of these triterpenes using the online database ChEMBL. The results showed that even slight structural changes in these triterpenes can influence the cellular response. This study opens up promising perspectives for further research on the pharmaceutical role of phytochemical triterpenoids. Full article
(This article belongs to the Special Issue Multi-Targeted Natural Products as Therapeutics)
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10 pages, 671 KiB  
Article
Sleep Bruxism and Sleep Structure in Comorbid Insomnia and Obstructive Sleep Apnea (COMISA) Syndrome: A Polysomnographic Study
by Bartlomiej Blaszczyk, Miguel Meira e Cruz, Marta Waliszewska-Prosol, Mieszko Wieckiewicz, Dorian Nowacki, Justyna Kanclerska, Gabriella Lachowicz, Anna Wojakowska, Monika Michalek-Zrabkowska, Jakub Przegralek, Joanna Smardz, Katarzyna Antosz, Grzegorz Mazur and Helena Martynowicz
J. Clin. Med. 2024, 13(11), 3154; https://doi.org/10.3390/jcm13113154 (registering DOI) - 28 May 2024
Abstract
Introduction: Comorbid insomnia and obstructive sleep apnea (COMISA) is not a well-identified sleep disorder, despite having a significant impact on health. This study investigates the relationship between sleep bruxism (SB) and sleep architecture in patients with COMISA, obstructive sleep apnea (OSA), and in [...] Read more.
Introduction: Comorbid insomnia and obstructive sleep apnea (COMISA) is not a well-identified sleep disorder, despite having a significant impact on health. This study investigates the relationship between sleep bruxism (SB) and sleep architecture in patients with COMISA, obstructive sleep apnea (OSA), and in those without any sleep disorders. Methods: 119 patients were included in the study and divided into three groups: OSA, COMISA, and a control group. Polysomnographic (PSG) examination provided parameters related to sleep architecture, OSA, and characteristics of SB. Results: The bruxism episode index (BEI) and other SB parameters were not found to be statistically different between the three groups (p > 0.05). There was no statistical difference in measured sleep architecture between the COMISA and OSA groups (p > 0.05). In comparison to the control group, participants in the COMISA group were found to have an increased apnea–hypopnea index (AHI), oxygen desaturation index (ODI), respiratory disturbance index (RDI), all arousals (AA), and respiratory arousals (RA) (p < 0.05). Among COMISA patients, AA and RA were shown to have a positive linear correlation with the number of bradycardia events per hour (r = 0.49, r = 0.48, p < 0.05). Conclusions: SB does not occur in patients with COMISA more frequently than in patients with OSA or those without any sleep disorders. PSG parameters are not specific for COMISA; therefore, in order to differentiate this disorder from OSA alone, a comprehensive patient assessment has to be performed. Full article
(This article belongs to the Special Issue Clinical Diagnosis and Treatment/Management of Sleep Bruxism)
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14 pages, 1385 KiB  
Article
Effect of GLP-1RA Treatment on Adhesion Molecules and Monocyte Chemoattractant Protein-1 in Diabetic Patients with Atherosclerosis
by Marcin Hachuła, Marcin Basiak, Michał Kosowski and Bogusław Okopień
Life 2024, 14(6), 690; https://doi.org/10.3390/life14060690 (registering DOI) - 28 May 2024
Abstract
Cardiovascular disease (CVD) remains a prominent cause of global mortality, primarily driven by atherosclerosis. Diabetes mellitus, as a modifiable risk factor, significantly contributes to atherogenesis. Monocyte recruitment to the intima is a critical step in atherosclerotic plaque formation, involving chemokines and adhesion molecules [...] Read more.
Cardiovascular disease (CVD) remains a prominent cause of global mortality, primarily driven by atherosclerosis. Diabetes mellitus, as a modifiable risk factor, significantly contributes to atherogenesis. Monocyte recruitment to the intima is a critical step in atherosclerotic plaque formation, involving chemokines and adhesion molecules such as selectins, ICAM-1, and MCP-1. Glucagon-like peptide 1 receptor agonists (GLP-1RAs) are a promising group of drugs for reducing cardiovascular risk in diabetic patients, prompting investigation into their mechanisms of action. This interventional study enrolled 50 diabetes patients with atherosclerotic plaque, administering GLP-1RA for 180 days. Serum concentrations of MCP-1, ICAM-1, and L-selectin were measured before and after treatment. Anthropometric and biochemical parameters were also assessed. GLP-1RA treatment resulted in significant improvements in anthropometric parameters, glycemic control, blood pressure, and biochemical markers of liver steatosis. Biomarker laboratory analysis revealed higher baseline levels of MCP-1, ICAM-1, and L-selectin in diabetic patients with atherosclerotic plaque compared to healthy controls. Following treatment, MCP-1 and L-selectin levels decreased significantly (p < 0.001), while ICAM-1 levels increased (p < 0.001). GLP-1RA treatment in diabetic patients with atherosclerotic plaque leads to favorable changes in serum molecule levels associated with monocyte recruitment to the endothelium. The observed reduction in MCP-1 and L-selectin suggests a potential mechanism underlying GLP-1RA-mediated cardiovascular risk reduction. Further research is warranted to elucidate the precise mechanisms and clinical implications of these findings in diabetic patients with atherosclerosis. Full article
(This article belongs to the Section Physiology and Pathology)
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31 pages, 3931 KiB  
Review
Exploring Sustainable Agriculture with Nitrogen-Fixing Cyanobacteria and Nanotechnology
by Taufiq Nawaz, Liping Gu, Shah Fahad, Shah Saud, Bruce Bleakley and Ruanbao Zhou
Molecules 2024, 29(11), 2534; https://doi.org/10.3390/molecules29112534 (registering DOI) - 28 May 2024
Abstract
The symbiotic relationship between nitrogen-fixing cyanobacteria and plants offers a promising avenue for sustainable agricultural practices and environmental remediation. This review paper explores the molecular interactions between nitrogen-fixing cyanobacteria and nanoparticles, shedding light on their potential synergies in agricultural nanotechnology. Delving into the [...] Read more.
The symbiotic relationship between nitrogen-fixing cyanobacteria and plants offers a promising avenue for sustainable agricultural practices and environmental remediation. This review paper explores the molecular interactions between nitrogen-fixing cyanobacteria and nanoparticles, shedding light on their potential synergies in agricultural nanotechnology. Delving into the evolutionary history and specialized adaptations of cyanobacteria, this paper highlights their pivotal role in fixing atmospheric nitrogen, which is crucial for ecosystem productivity. The review discusses the unique characteristics of metal nanoparticles and their emerging applications in agriculture, including improved nutrient delivery, stress tolerance, and disease resistance. It delves into the complex mechanisms of nanoparticle entry into plant cells, intracellular transport, and localization, uncovering the impact on root-shoot translocation and systemic distribution. Furthermore, the paper elucidates cellular responses to nanoparticle exposure, emphasizing oxidative stress, signaling pathways, and enhanced nutrient uptake. The potential of metal nanoparticles as carriers of essential nutrients and their implications for nutrient-use efficiency and crop yield are also explored. Insights into the modulation of plant stress responses, disease resistance, and phytoremediation strategies demonstrate the multifaceted benefits of nanoparticles in agriculture. Current trends, prospects, and challenges in agricultural nanotechnology are discussed, underscoring the need for responsible and safe nanoparticle utilization. By harnessing the power of nitrogen-fixing cyanobacteria and leveraging the unique attributes of nanoparticles, this review paves the way for innovative, sustainable, and efficient agricultural practices. Full article
(This article belongs to the Special Issue Preparation of Innovative Nanomaterials for Water/Air Purification)
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12 pages, 2876 KiB  
Article
Improved Tribological Performance of a Polybutylene Terephthalate Hybrid Composite by Adding a Siloxane-Based Internal Lubricant
by Shengqin Zhao, Rolf Merz, Stefan Emrich, Johannes L’huillier and Leyu Lin
Lubricants 2024, 12(6), 189; https://doi.org/10.3390/lubricants12060189 (registering DOI) - 28 May 2024
Abstract
To mitigate the environmental hazards aroused by fossil-based lubricants, the development of eco-friendly internal lubricants is imperative. Siloxane-based internal lubricants, widely applied as plasticizers in polymeric compounds, are a promising option. However, their impacts on the tribological properties of polymeric tribocomponents are still [...] Read more.
To mitigate the environmental hazards aroused by fossil-based lubricants, the development of eco-friendly internal lubricants is imperative. Siloxane-based internal lubricants, widely applied as plasticizers in polymeric compounds, are a promising option. However, their impacts on the tribological properties of polymeric tribocomponents are still unclarified. Therefore, in the current study, a siloxane-based internal lubricant with the product name ‘EverGlide MB 1550 (EG)’ was dispersed into a polybutylene terephthalate (PBT)-based tribological composite to investigate whether the tribological properties of the composite can be optimized. A block-on-ring (BOR) test configuration was used for this purpose. It was found that the addition of EG to the composite significantly improved the tribological behavior; the improvement was particularly significant under lower load conditions (pv-product ≤ 2 MPa∙m/s). Compared to the reference PBT composite, the addition of EG reduced the friction coefficient (COF) by about 30% and the specific wear rate by about 14%. An accompanying surface analytical investigation using photoelectron spectroscopy to elucidate the effective mechanisms at the molecular level showed the availability of tribologically effective and free EG after its addition to the composite in the relevant tribocontact. Full article
(This article belongs to the Special Issue Tribology in Germany: Latest Research and Development)
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16 pages, 1971 KiB  
Review
Mathematical Models of the Arabidopsis Circadian Oscillator
by Lucas Henao, Saúl Ares and Pablo Catalán
Biophysica 2024, 4(2), 267-282; https://doi.org/10.3390/biophysica4020019 (registering DOI) - 28 May 2024
Abstract
We review the construction and evolution of mathematical models of the Arabidopsis circadian clock, structuring the discussion into two distinct historical phases of modeling strategies: extension and reduction. The extension phase explores the bottom-up assembly of regulatory networks, introducing as many components and [...] Read more.
We review the construction and evolution of mathematical models of the Arabidopsis circadian clock, structuring the discussion into two distinct historical phases of modeling strategies: extension and reduction. The extension phase explores the bottom-up assembly of regulatory networks, introducing as many components and interactions as possible to capture the oscillatory nature of the clock. The reduction phase deals with functional decomposition, distilling complex models to their essential dynamical repertoire. Current challenges in this field, including the integration of spatial considerations and environmental influences like light and temperature, are also discussed. The review emphasizes the ongoing need for models that balance molecular detail with practical simplicity. Full article
(This article belongs to the Special Issue State-of-the-Art Biophysics in Spain 2.0)
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29 pages, 767 KiB  
Article
Unleashing the Power of Tweets and News in Stock-Price Prediction Using Machine-Learning Techniques
by Hossein Zolfagharinia, Mehdi Najafi, Shamir Rizvi and Aida Haghighi
Algorithms 2024, 17(6), 234; https://doi.org/10.3390/a17060234 (registering DOI) - 28 May 2024
Abstract
Price prediction tools play a significant role in small investors’ behavior. As such, this study aims to propose a method to more effectively predict stock prices in North America. Chiefly, the study addresses crucial questions related to the relevance of news and tweets [...] Read more.
Price prediction tools play a significant role in small investors’ behavior. As such, this study aims to propose a method to more effectively predict stock prices in North America. Chiefly, the study addresses crucial questions related to the relevance of news and tweets in stock-price prediction and highlights the potential value of considering such parameters in algorithmic trading strategies—particularly during times of market panic. To this end, we develop innovative multi-layer perceptron (MLP) and long short-term memory (LSTM) neural networks to investigate the influence of Twitter count (TC), and news count (NC) variables on stock-price prediction under both normal and market-panic conditions. To capture the impact of these variables, we integrate technical variables with TC and NC and evaluate the prediction accuracy across different model types. We use Bloomberg Twitter count and news publication count variables in North American stock-price prediction and integrate them into MLP and LSTM neural networks to evaluate their impact during the market pandemic. The results showcase improved prediction accuracy, promising significant benefits for traders and investors. This strategic integration reflects a nuanced understanding of the market sentiment derived from public opinion on platforms like Twitter. Full article
(This article belongs to the Special Issue Recent Advances in Algorithms for Swarm Systems)
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18 pages, 10146 KiB  
Article
Effect of Molten Salts Composition on the Corrosion Behavior of Additively Manufactured 316L Stainless Steel for Concentrating Solar Power
by Najib Abu-warda, Sonia García-Rodríguez, Belén Torres, María Victoria Utrilla and Joaquín Rams
Metals 2024, 14(6), 639; https://doi.org/10.3390/met14060639 (registering DOI) - 28 May 2024
Abstract
The effects of different molten salts on the corrosion resistance of laser powder bed fusion (L-PBF) 316L stainless steel was evaluated at 650 and 700 °C. The samples were characterized via XRD and SEM/EDX after high-temperature corrosion tests to evaluate the corrosion damage [...] Read more.
The effects of different molten salts on the corrosion resistance of laser powder bed fusion (L-PBF) 316L stainless steel was evaluated at 650 and 700 °C. The samples were characterized via XRD and SEM/EDX after high-temperature corrosion tests to evaluate the corrosion damage to the L-PBF 316L stainless steel caused by the molten salts. The presence of the salts accelerated the corrosion process, the chloride-based salts being the most aggressive ones, followed by the carbonate-based and the nitrate/nitrite-based salts, respectively. The L-PBF 316L did not react strongly with the nitrate/nitrite-based salts, but some corrosion products not found in the samples tested in the absence of salts, such as NaFeO2, were formed. LiFeO2 and LiCrO2 were identified as the main corrosion products in the samples exposed to the carbonate-based molten salts, due to the high activity of Li ions. Their growth produced the depletion of Fe and Cr elements and the formation of vacancies that acted as diffusion paths on the surface of the steel. In the samples exposed to chloride-based molten salts, the attacked area was much deeper, and the corrosion process followed an active oxidation mechanism in which a chlorine cycle is assumed to have been involved. Full article
(This article belongs to the Special Issue Novel Insights and Advances in Steels and Cast Irons)
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16 pages, 2229 KiB  
Article
Approach to Chemical Process Transition Control via Regulatory Controllers with the Case of a Throughput Fluctuating Ethylene Column
by Dong Huang, Gang Liu, Kezhong Chen, Lizhi Liu and Jinlin Guo
Processes 2024, 12(6), 1105; https://doi.org/10.3390/pr12061105 (registering DOI) - 28 May 2024
Abstract
For chemical processes, dynamic optimization is employed for process transition. On the basis of the multilayer control structure, the employment of dynamic optimization is affected by the regulatory control system. To avoid the adjustment of the regulatory control system, set-point optimization is proposed. [...] Read more.
For chemical processes, dynamic optimization is employed for process transition. On the basis of the multilayer control structure, the employment of dynamic optimization is affected by the regulatory control system. To avoid the adjustment of the regulatory control system, set-point optimization is proposed. For comparison, two types of optimization models, namely direct optimization and set-point optimization, are formulated. The superiority of set-point optimization is rigorously proven. By simulating the commercial process of a throughput-fluctuating ethylene column, the integrated absolute error and maximum deviation of product quality are reduced by more than 150% with set-point optimization. The results indicate that the approach to process transition via regulatory controllers not only avoids the insecurity caused by the switching of set-point controllers but also improves the optimization performance. In conclusion, the proposed optimization structure, namely set-point optimization, is operable and stable for commercial chemical process transitions. Full article
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16 pages, 6333 KiB  
Article
Bioinformatic Analysis of Roquin Family Reveals Their Potential Role in Immune System
by Xianpeng Li, Shuaiqi Yang, Xiangmin Zhang, Yi Zhang, Yu Zhang and Hongyan Li
Int. J. Mol. Sci. 2024, 25(11), 5859; https://doi.org/10.3390/ijms25115859 (registering DOI) - 28 May 2024
Abstract
The Roquin family is a recognized RNA-binding protein family that plays vital roles in regulating the expression of pro-inflammatory target gene mRNA during the immune process in mammals. However, the evolutionary status of the Roquin family across metazoans remains elusive, and limited studies [...] Read more.
The Roquin family is a recognized RNA-binding protein family that plays vital roles in regulating the expression of pro-inflammatory target gene mRNA during the immune process in mammals. However, the evolutionary status of the Roquin family across metazoans remains elusive, and limited studies are found in fish species. In this study, we discovered that the RC3H genes underwent a single round of gene duplication from a primitive ancestor during evolution from invertebrates to vertebrates. Furthermore, there were instances of species-specific gene loss events or teleost lineage-specific gene duplications throughout evolution. Domain/motif organization and selective pressure analysis revealed that Roquins exhibit high homology both within members of the family within the same species and across species. The three rc3h genes in zebrafish displayed similar expression patterns in early embryos and adult tissues, with rc3h1b showing the most prominent expression among them. Additionally, the promoter regions of the zebrafish rc3h genes contained numerous transcription factor binding sites similar to those of mammalian homologs. Moreover, the interaction protein network of Roquin and the potential binding motif in the 3’-UTR of putative target genes analysis both indicated that Roquins have the potential to degrade target mRNA through mechanisms similar to those of mammalian homologs. These findings shed light on the evolutionary history of Roquin among metazoans and hypothesized their role in the immune systems of zebrafish. Full article
(This article belongs to the Section Molecular Immunology)
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19 pages, 2707 KiB  
Review
Analysis of Model Predictive Control-Based Energy Management System Performance to Enhance Energy Transmission
by Israth Jahan Chowdhury, Siti Hajar Yusoff, Teddy Surya Gunawan, Suriza Ahmad Zabidi, Mohd Shahrin Bin Abu Hanifah, Siti Nadiah Mohd Sapihie and Bernardi Pranggono
Energies 2024, 17(11), 2595; https://doi.org/10.3390/en17112595 (registering DOI) - 28 May 2024
Abstract
A supervisory control system using Model Predictive Control (MPC) has been designed to evaluate the efficiency of wind and solar power and is consistent with the cost function in the supervisory MPC optimization problem. A two-layer Economic Model Predictive Control (EMPC) framework has [...] Read more.
A supervisory control system using Model Predictive Control (MPC) has been designed to evaluate the efficiency of wind and solar power and is consistent with the cost function in the supervisory MPC optimization problem. A two-layer Economic Model Predictive Control (EMPC) framework has been developed and has improved results such as cost reductions compared to recent advanced methods. A speed Generalized Predictive Control (GPC) scheme intended for wind energy conversion systems was developed last year, with simulation results indicating superior performance over previous models. A Hierarchical Distributed Model Predictive Control (HDMPC) can work under different weather conditions with improved economic performance and keep a good balance between power delivery and load demand. An energy management system (EMS), built on the basis of MPC, can be quite lucrative for the sphere in the present climate scenario, with the selection and testing of suitable algorithms, controlled processes, cost functions, and a set of constraints as well as with proper optimizations carried out. Previous research indicates that an MPC-based EMS has the potential to be a good solution to manage energy well and also introduced it to the world experimentally. The key intention of this research study is to explore the existing advances that have been introduced and to analyze their performance in terms of cost function, different sets of constraints, variant conversion processes, and scalability to achieve more optimized operation of MPC-based EMS. Full article
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18 pages, 1898 KiB  
Article
Carbon Pricing Impacts on Four Pollutants: A Cross-Country Analysis
by Rohan Best, Fatemeh Nazifi and Han Cheng
Energies 2024, 17(11), 2596; https://doi.org/10.3390/en17112596 (registering DOI) - 28 May 2024
Abstract
Research on climate change mitigation has increasingly considered carbon pricing, with these efforts concentrating on reductions in carbon dioxide (CO2) emissions. Our comprehensive cross-country analysis extends this focus by quantitatively evaluating the effects of carbon pricing on four major pollutants: CO [...] Read more.
Research on climate change mitigation has increasingly considered carbon pricing, with these efforts concentrating on reductions in carbon dioxide (CO2) emissions. Our comprehensive cross-country analysis extends this focus by quantitatively evaluating the effects of carbon pricing on four major pollutants: CO2, nitrous oxide (N2O), methane (CH4), and particulate matter (PM). We use regressions and introduce entropy balancing to this research area. Analyzing data from 132 countries from 1992 to 2019, we find that carbon pricing is associated with an average annual reduction in CO2 emissions by 3 percentage points. A one-unit increase in a coverage-weighted carbon price is associated with reductions in N2O emissions by approximately 0.1 percentage points. A shorter panel for 2010–2017 shows a larger impact of 0.3 percentage points for PM. These findings underline the efficacy of carbon pricing not just in curtailing CO2 but in significantly mitigating other harmful pollutants on a global scale. Reductions in pollutants beyond CO2 provide further motivation for policymakers to pursue carbon pricing. Full article
(This article belongs to the Section C: Energy Economics and Policy)
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11 pages, 2505 KiB  
Article
Nonlinear Optical Saturable Absorption Properties of 2D VP Nanosheets and Application as SA in a Passively Q-Switched Nd:YVO4 Laser
by Haowen Guo, Chunyan Jia, Yongping Yao, Meng Bai, Tiejun Ma, Jiayu Zhang, Jinbao Xia, Hongkun Nie, Bo Yao, Jingliang He and Baitao Zhang
Materials 2024, 17(11), 2585; https://doi.org/10.3390/ma17112585 (registering DOI) - 28 May 2024
Abstract
Two-dimensional (2D) violet phosphorus (VP) plays a significant role in the applications of photonic and optoelectronic devices due to its unique optical and electrical properties. The ultrafast carrier dynamics and nonlinear optical absorption properties were systematically investigated here. The intra- and inter-band ultrafast [...] Read more.
Two-dimensional (2D) violet phosphorus (VP) plays a significant role in the applications of photonic and optoelectronic devices due to its unique optical and electrical properties. The ultrafast carrier dynamics and nonlinear optical absorption properties were systematically investigated here. The intra- and inter-band ultrafast relaxation times of 2D VP nanosheets were measured to be ~6.83 ps and ~62.91 ps using the pump–probe method with a probe laser operating at 1.03 μm. The nonlinear absorption coefficient βeff, the saturation intensity Is, the modulation depth ΔR, and the nonsaturable loss were determined to be −2.18 × 104 cm/MW, 329 kW/cm2, 6.3%, and 9.8%, respectively, by using the Z-scan and I-scan methods, indicating the tremendous saturable absorption property of 2D VP nanosheets. Furthermore, the passively Q-switched Nd:YVO4 laser was realized with the 2D VP nanosheet-based SA, in which the average output power of 700 mW and the pulse duration of 478 ns were obtained. These results effectively reveal the nonlinear optical absorption characteristics of VP nanosheets, demonstrating their outstanding light-manipulating capabilities and providing a basis for the applications of ultrafast optical devices. Our results verify the excellent saturable absorption properties of 2D VP, paving the way for its applications in pulsed laser generation. Full article
(This article belongs to the Special Issue Advanced Electrical Engineering Materials and Devices)
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21 pages, 4625 KiB  
Article
Polyaromatic Hydrocarbon Inclusion Complexes with 2-Hydroxylpropyl-β/γ-Cyclodextrin: Molecular Dynamic Simulation and Spectroscopic Studies
by Norah S. Alsadun, Amira A. Alfadil, Abdalla A. Elbashir, FakhrEldin O. Suliman, Mei Musa Ali Omar and Amel Y. Ahmed
Molecules 2024, 29(11), 2535; https://doi.org/10.3390/molecules29112535 (registering DOI) - 28 May 2024
Abstract
In aqueous and solid media, 2-HP-β/γ-CD inclusion complexes with poly aromatic hydrocarbon (PAH) Phenanthrene (PHN), Anthracene (ANT), Benz(a)pyrene (BaP), and Fluoranthene (FLT) were investigated for the first time. The inclusion complexes were characterized and investigated using fluorescence and 1HNMR spectroscopy. The most [...] Read more.
In aqueous and solid media, 2-HP-β/γ-CD inclusion complexes with poly aromatic hydrocarbon (PAH) Phenanthrene (PHN), Anthracene (ANT), Benz(a)pyrene (BaP), and Fluoranthene (FLT) were investigated for the first time. The inclusion complexes were characterized and investigated using fluorescence and 1HNMR spectroscopy. The most prevalent complexes consisting of both guests and hosts were those with a 1:1 guest-to-host ratio. The stability constants for the complexes of PHN with 2-HP-β-CD and 2-HP-γ-CD were 85 ± 12 M−1 and 49 ± 29 M−1, respectively. Moreover, the stability constants were found to be 502 ± 46 M−1 and 289 ± 44 M−1 for the complexes of ANT with both hosts. The stability constants for the complexes of BaP with 2-HP-β-CD and 2-HP-γ-CD were (1.5 ± 0.02) × 103 M−1 and (9.41 ± 0.03) × 103 M−1, respectively. The stability constant for the complexes of FLT with 2-HP-β-CD was (1.06 ± 0.06) × 103 M−1. However, FLT was observed to form a weak complex with 2-HP-γ-CD. Molecular dynamic (MD) simulations were used to investigate the mechanism and mode of inclusion processes, and to monitor the atomic-level stability of these complexes. The analysis of MD trajectories demonstrated that all guests formed stable inclusion complexes with both hosts throughout the duration of the simulation time, confirming the experimental findings. However, the flexible Hydroxypropyl arms prevented the PAHs from being encapsulated within the cavity; however, a stable exclusion complex was observed. The main forces that influenced the complexation included van der Waals interactions, hydrophobic forces, and C–H⋯π interaction, which contribute to the stability of these complexes. Full article
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20 pages, 1827 KiB  
Review
Transdermal Delivery of Cannabidiol for the Management of Acute Inflammatory Pain: A Comprehensive Review of the Literature
by Ève Lefebvre, Nancy Tawil and L’Hocine Yahia
Int. J. Mol. Sci. 2024, 25(11), 5858; https://doi.org/10.3390/ijms25115858 (registering DOI) - 28 May 2024
Abstract
The emerging field of nanotechnology has paved the way for revolutionary advancements in drug delivery systems, with nanosystems emerging as a promising avenue for enhancing the therapeutic potential and the stability of various bioactive compounds. Among these, cannabidiol (CBD), the non-psychotropic compound of [...] Read more.
The emerging field of nanotechnology has paved the way for revolutionary advancements in drug delivery systems, with nanosystems emerging as a promising avenue for enhancing the therapeutic potential and the stability of various bioactive compounds. Among these, cannabidiol (CBD), the non-psychotropic compound of the Cannabis sativa plant, has gained attention for its therapeutic properties. Consequently, researchers have devoted significant efforts to unlock the full potential of CBD’s clinical benefits, where various nanosystems and excipients have emerged to overcome challenges associated with its bioavailability, stability, and controlled release for its transdermal application. Therefore, this comprehensive review aims to explain CBD’s role in managing acute inflammatory pain and offers an overview of the state of the art of existing delivery systems and excipients for CBD. To summarize this review, a summary of the cannabinoids and therapeutical targets of CBD will be discussed, followed by its conventional modes of administration. The transdermal route of administration and the current topical and transdermal delivery systems will also be reviewed. This review will conclude with an overview of in vivo techniques that allow the evaluation of the anti-inflammatory and analgesic potentials of these systems. Full article
(This article belongs to the Special Issue Nanoparticle-Based Drug Targeting)
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27 pages, 4395 KiB  
Article
Effect of Chitosan/Gum Arabic Blends Enriched by Sodium Nitroprusside or Methyl Salicylate on the Storability and Antioxidant Activity of Tomato Fruit
by Mohamed A. Taher, Dawood H. Dawood, Mohammed A. E. Selim, Basma H. Amin and Elsherbiny A. Elsherbiny
Polymers 2024, 16(11), 1518; https://doi.org/10.3390/polym16111518 (registering DOI) - 28 May 2024
Abstract
The impact of methyl salicylate (MeSA) or sodium nitroprusside (SNP) in chitosan (CS)/Gum Arabic (GA) mixture on physio-chemical characteristics and antioxidant status during the postharvest ripening of green tomato fruits was studied. CS/GA-MeSA at a 1 mM formulation was the best treatment to [...] Read more.
The impact of methyl salicylate (MeSA) or sodium nitroprusside (SNP) in chitosan (CS)/Gum Arabic (GA) mixture on physio-chemical characteristics and antioxidant status during the postharvest ripening of green tomato fruits was studied. CS/GA-MeSA at a 1 mM formulation was the best treatment to retard firmness and titratable acidity (TA) losses. Moreover, this formulation retarded pigmentation progress where it had the lowest significant values of total carotenes (TCs) and lycopene (LYP) contents until the 15th day of the storage period, as well as efficiently faced the rise in malondialdehyde (MDA) levels. Moreover, peroxidase (POD), polyphenol oxidase (PPO), catalase (CAT), and phenylalanine ammonia-lyase (PAL) activities of tomatoes treated with CS/GA-SNP at 2 mM were significantly better than that of control in the primary stages of storage. CS/GA-SNP at a 2 mM formulation showed an extremely high significant content of total polyphenol (TP) in the early stage of storage, while CS/GA and CS/GA-MeSA at 1 and 2 mM accumulated higher significant TP contents than uncoated fruits at the late stage of storage. All formulations were characterized by FTIR spectroscopy. Furthermore, the polymer formulations exhibited strong antifungal activity against Alternaria alternata and Botrytis cinerea as major pathogens of postharvest tomatoes. Transmission electron microscope (TEM) observations for the mycelia of both fungi treated by CS/GA-MeSA at 2 mM revealed serious ultrastructural damage, including distortion of the cell wall and cell membrane and degradation of cytoplasmic organelles. Full article
(This article belongs to the Section Polymer Applications)
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11 pages, 1563 KiB  
Review
Trained Immunity and Trained Tolerance: The Case of Helicobacter pylori Infection
by Maria Pina Dore and Giovanni Mario Pes
Int. J. Mol. Sci. 2024, 25(11), 5856; https://doi.org/10.3390/ijms25115856 (registering DOI) - 28 May 2024
Abstract
Trained immunity is a concept in immunology in which innate immune cells, such as monocytes and macrophages, exhibit enhanced responsiveness and memory-like characteristics following initial contact with a pathogenic stimulus that may promote a more effective immune defense following subsequent contact with the [...] Read more.
Trained immunity is a concept in immunology in which innate immune cells, such as monocytes and macrophages, exhibit enhanced responsiveness and memory-like characteristics following initial contact with a pathogenic stimulus that may promote a more effective immune defense following subsequent contact with the same pathogen. Helicobacter pylori, a bacterium that colonizes the stomach lining, is etiologically associated with various gastrointestinal diseases, including gastritis, peptic ulcer, gastric adenocarcinoma, MALT lymphoma, and extra gastric disorders. It has been demonstrated that repeated exposure to H. pylori can induce trained immunity in the innate immune cells of the gastric mucosa, which become more responsive and better able to respond to subsequent H. pylori infections. However, interactions between H. pylori and trained immunity are intricate and produce both beneficial and detrimental effects. H. pylori infection is characterized histologically as the presence of both an acute and chronic inflammatory response called acute-on-chronic inflammation, or gastritis. The clinical outcomes of ongoing inflammation include intestinal metaplasia, gastric atrophy, and dysplasia. These same mechanisms may also reduce immunotolerance and trigger autoimmune pathologies in the host. This review focuses on the relationship between trained immunity and H. pylori and underscores the dynamic interplay between the immune system and the pathogen in the context of gastric colonization and inflammation. Full article
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9 pages, 659 KiB  
Article
Venom Immunotherapy Does Not Affect Survival of Patients with Malignant Tumor in Poland
by Marta Chełmińska, Krzysztof Specjalski, Ewa Jassem, Joanna Polańska, Karolina Kita, Lucyna Górska, Joanna Didkowska, Urszula Wojciechowska, Marita Nittner-Marszalska, Piotr Kuna, Maciej Kupczyk, Jerzy Kruszewski, Aleksander Zakrzewski, Ewa Czarnobilska, Marcin Stobiecki, Rafał Krenke, Andrzej Dąbrowski, Artur Kwaśniewski, Jerzy Jarząb, Andrzej Bożek, Anna Bodzenta-Łukaszyk, Mateusz Łukaszyk, Marek Kowalski, Ewa Smorawska-Sabanty, Andrzej Fal, Katarzyna Przybyłowska, Zbigniew Bartuzi, Krzysztof Pałgan and Marek Niedoszytkoadd Show full author list remove Hide full author list
J. Clin. Med. 2024, 13(11), 3152; https://doi.org/10.3390/jcm13113152 (registering DOI) - 28 May 2024
Abstract
Background: Allergen immunotherapy (AIT) is a well-established and efficient method of causative treatment for allergic rhinitis, asthma and insect venom allergy. Traditionally, a recent history of malignant neoplasm is regarded as a contraindication to AIT due to concerns that AIT might stimulate tumor [...] Read more.
Background: Allergen immunotherapy (AIT) is a well-established and efficient method of causative treatment for allergic rhinitis, asthma and insect venom allergy. Traditionally, a recent history of malignant neoplasm is regarded as a contraindication to AIT due to concerns that AIT might stimulate tumor growth. However, there are no data confirming that the silencing of the Th2 response affects prognosis in cancer. Objectives: The aim of this study was to investigate frequency of malignant tumors in patients undergoing AIT and the association between AIT and cancer-related mortality. Patients and Methods: A group of 2577 patients with insect venom allergy undergoing AIT in 10 Polish allergology centers was screened in the Polish National Cancer Registry. Data on cancer type, diagnosis time and patients’ survival were collected and compared with the general population. Results: In the study group, 86 cases of malignancies were found in 85 patients (3.3% of the group). The most common were breast (19 cases), lung (9 cases), skin (8 cases), colon and prostate cancers (5 cases each). There were 21 cases diagnosed before AIT, 38 during and 27 after completing AIT. Laplace’s crude incidence rate was 159.5/100,000/year (general population rate: 260/100,000/year). During follow-up, 13 deaths related to cancer were revealed (15% of patients with cancer). Laplace’s cancer mortality rate was 37.3/100,000/year (general population rate: 136.8/100,000/year). Conclusions: Malignancy was found in patients undergoing immunotherapy less often than in the general population. Patients with cancer diagnosed during or after AIT did not show a lower survival rate, which suggests that AIT does not affect the prognosis. Full article
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18 pages, 4816 KiB  
Article
Spatio-Temporal Variation in Cyanobacteria and Epiphytic Algae of Thalassia testudinum in Two Localities of Southern Quintana Roo, Mexico
by Rocio Nava-Olvera, Luz Elena Mateo-Cid, Itzel González-Contreras and Ángela Catalina Mendoza-González
Diversity 2024, 16(6), 321; https://doi.org/10.3390/d16060321 (registering DOI) - 28 May 2024
Abstract
The leaves of Thalassia testudinum provide an ideal substrate for the establishment of small-sized algae with different morphologies that are abundant and diverse. There are few studies on epiphytism in Mexico, and most of them are floristic lists. The objective of this study [...] Read more.
The leaves of Thalassia testudinum provide an ideal substrate for the establishment of small-sized algae with different morphologies that are abundant and diverse. There are few studies on epiphytism in Mexico, and most of them are floristic lists. The objective of this study was to analyze the taxonomic and morphofunctional composition of epiphytes in three climatic seasons, and their relationship with the phorophyte T. testudinum in two localities, El Uvero and Santa Rosa, in the south of Quintana Roo; three transects and fifteen quadrants were set in June and December (2014) and April (2015). A total of 84 epiphytic species were identified: 27 corresponded to Cyanobacteria, 10 to Phaeophyceae, 9 to Chlorophyta, and 38 to Rhodophyta. The highest specific richness was observed in Santa Rosa (73 species). The dry and summer rains seasons share a higher number of species compared to the winter rainy season. The crusty algae Hydrolithon farinosum was the dominant and most persistent species; in addition, filamentous algae presented great specific richness and coverage due to their morphology and reproductive strategies, which allowed them to successfully establish themselves on the phorophyte. This is related to the ecological succession of the epiphytes and seagrass phenology. Full article
(This article belongs to the Section Marine Diversity)
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15 pages, 6922 KiB  
Article
Spatiotemporal Distribution Characteristics and Influencing Factors of Dissolved Potentially Toxic Elements along Guangdong Coastal Water, South China
by Gelin Kang, Hanbao Chen, Chuanqi Hu, Fangzheng Wang and Zuoda Qi
J. Mar. Sci. Eng. 2024, 12(6), 896; https://doi.org/10.3390/jmse12060896 (registering DOI) - 28 May 2024
Abstract
In this study, five potentially toxic elements (PTEs) (Hg, Pb, As, Zn, and Cu) and five physicochemical factors (pH, dissolved oxygen, salinity, chlorophyll a, and chemical oxygen demand) relating to surface seawater were measured along the coast of Guangdong Province (GD), China, during [...] Read more.
In this study, five potentially toxic elements (PTEs) (Hg, Pb, As, Zn, and Cu) and five physicochemical factors (pH, dissolved oxygen, salinity, chlorophyll a, and chemical oxygen demand) relating to surface seawater were measured along the coast of Guangdong Province (GD), China, during three seasons in 2019. Comprehensive analyses were conducted to explore the distribution characteristics, pollution degrees, and influencing factors of PTE. The results showed that the concentrations of PTE varied spatially and seasonally due to these elements’ complex sources and behaviors. Pb was the most abundant toxic element, reaching considerable contamination levels. Overall, the average pollution degrees of Cu, As, and Zn were higher around the east coast of GD, while Hg and Pb levels were higher in the west coast region of GD. The correlation analysis showed that the variation of different physicochemical parameters had different degrees of influence on PTE transport and transformation. This study can help environmental managers gain deeper insight into the influence of complex factors on PTE and improve the efficiency of pollution control in this significant subtropical coastal area. Full article
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12 pages, 3431 KiB  
Article
Circadian Synchronization of Feeding Attenuates Rats’ Food Restriction-Induced Anxiety and Amygdalar Thyrotropin-Releasing Hormone Downregulation
by Paulina Soberanes-Chávez, Jariz Trujillo-Barrera and Patricia de Gortari
Int. J. Mol. Sci. 2024, 25(11), 5857; https://doi.org/10.3390/ijms25115857 (registering DOI) - 28 May 2024
Abstract
Anxiety is a common comorbidity of obesity, resulting from prescribing long-term caloric restriction diets (CRDs); patients with a reduced food intake lose weight but present anxious behaviors, poor treatment adherence, and weight regain in the subsequent 5 years. Intermittent fasting (IF) restricts feeding [...] Read more.
Anxiety is a common comorbidity of obesity, resulting from prescribing long-term caloric restriction diets (CRDs); patients with a reduced food intake lose weight but present anxious behaviors, poor treatment adherence, and weight regain in the subsequent 5 years. Intermittent fasting (IF) restricts feeding time to 8 h during the activity phase, reducing patients’ weight even with no caloric restriction; it is unknown whether an IF regime with ad libitum feeding avoids stress and anxiety development. We compared the corticosterone blood concentration between male Wistar rats fed ad libitum or calorie-restricted with all-day or IF food access after 4 weeks, along with their anxiety parameters when performing the elevated plus maze (EPM). As the amygdalar thyrotropin-releasing hormone (TRH) is believed to have anxiolytic properties, we evaluated its expression changes in association with anxiety levels. The groups formed were the following: a control which was offered food ad libitum (C-adlib) or 30% of C-adlib’s energy requirements (C-CRD) all day, and IF groups provided food ad libitum (IF-adlib) or 30% of C-adlib’s requirements (IF-CRD) with access from 9:00 to 17:00 h. On day 28, the rats performed the EPM and, after 30 min, were decapitated to analyze their amygdalar TRH mRNA expression by in situ hybridization and corticosterone serum levels. Interestingly, circadian feeding synchronization reduced the body weight, food intake, and animal anxiety levels in both IF groups, with ad libitum (IF-adlib) or restricted (IF-CRD) food access. The anxiety levels of the experimental groups resulted to be negatively associated with TRH expression, which supported its anxiolytic role. Therefore, the low anxiety levels induced by synchronizing feeding with the activity phase would help patients who are dieting to improve their diet therapy adherence. Full article
(This article belongs to the Special Issue Molecular Advances in Circadian Rhythm and Metabolism)
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18 pages, 855 KiB  
Article
Comparison of the Effects of Essential Oils from Cannabis sativa and Cannabis indica on Selected Bacteria, Rumen Fermentation, and Methane Production—In Vitro Study
by Aleksandra Tabiś, Antoni Szumny, Jacek Bania, Katarzyna Pacyga, Kamila Lewandowska and Robert Kupczyński
Int. J. Mol. Sci. 2024, 25(11), 5861; https://doi.org/10.3390/ijms25115861 (registering DOI) - 28 May 2024
Abstract
This study aimed to evaluate the effects of essential oils (EOs) extracted from Cannabis sativa L. and Cannabis indica Lam. on in vitro ruminal fermentation characteristics, selected rumen microbial populations, and methane production. GC-MS analyses allowed us to identify 89 compounds in both [...] Read more.
This study aimed to evaluate the effects of essential oils (EOs) extracted from Cannabis sativa L. and Cannabis indica Lam. on in vitro ruminal fermentation characteristics, selected rumen microbial populations, and methane production. GC-MS analyses allowed us to identify 89 compounds in both EOs. It was found that E-β-caryophyllene predominated in C. sativa (18.4%) and C. indica (24.1%). An in vitro (Ankom) test was performed to analyse the control and monensin groups, as well as the 50 µL or 100 µL EOs. The samples for volatile fatty acids (VFAs), lactate, and microbiological analysis were taken before incubation and after 6 and 24 h. The application of EOs of C. indica resulted in an increase in the total VFAs of acetate and propionate after 6 h of incubation. The applied EOs had a greater impact on the reduction in methane production after 6 h, but no apparent effect was noted after 24 h. Lower concentrations of C. sativa and C. indica had a more pronounced effect on Lactobacillus spp. and Buryrivibrio spp. than monensin. The presented findings suggest that C. sativa and C. indica supplementation can modify ruminal fermentation, the concentrations of specific volatile fatty acids, and methane production. Full article
(This article belongs to the Special Issue Antimicrobial Agents: Natural Products or Synthetic Compounds)
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11 pages, 1360 KiB  
Systematic Review
Evaluating Scope and Bias of Population-Level Measles Serosurveys: A Systematized Review and Bias Assessment
by Alyssa N. Sbarra, Felicity T. Cutts, Han Fu, Ishu Poudyal, Dale A. Rhoda, Jonathan F. Mosser and Mark Jit
Vaccines 2024, 12(6), 585; https://doi.org/10.3390/vaccines12060585 (registering DOI) - 28 May 2024
Abstract
Background: Measles seroprevalence data have potential to be a useful tool for understanding transmission dynamics and for decision making efforts to strengthen immunization programs. In this study, we conducted a systematized review and bias assessment of all primary data on measles seroprevalence in [...] Read more.
Background: Measles seroprevalence data have potential to be a useful tool for understanding transmission dynamics and for decision making efforts to strengthen immunization programs. In this study, we conducted a systematized review and bias assessment of all primary data on measles seroprevalence in low- and middle-income countries (as defined by World Bank 2021 income classifications) published from 1962 to 2021. Methods: On 9 March 2022, we searched PubMed for all available data. We included studies containing primary data on measles seroprevalence and excluded studies if they were clinical trials or brief reports, from only health-care workers, suspected measles cases, or only vaccinated persons. We extracted all available information on measles seroprevalence, study design, and seroassay protocol. We conducted a bias assessment based on multiple categories and classified each study as having low, moderate, severe, or critical bias. This review was registered with PROSPERO (CRD42022326075). Results: We identified 221 relevant studies across all World Health Organization regions, decades, and unique age ranges. The overall crude mean seroprevalence across all studies was 78.0% (SD: 19.3%), and the median seroprevalence was 84.0% (IQR: 72.8–91.7%). We classified 80 (36.2%) studies as having severe or critical overall bias. Studies from country-years with lower measles vaccine coverage or higher measles incidence had higher overall bias. Conclusions: While many studies have substantial underlying bias, many studies still provide some insights or data that could be used to inform modelling efforts to examine measles dynamics and programmatic decisions to reduce measles susceptibility. Full article
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