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Search Results (968)

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34 pages, 1198 KiB  
Article
Safety Considerations for Natural Products with Adaptogenic and Immunomodulating Activities
by Chen Jia Wen Liang, Herman J. Woerdenbag, Corine Ekhart, Annabella Vitalone and Florence P. A. M. van Hunsel
Pharmaceuticals 2025, 18(8), 1208; https://doi.org/10.3390/ph18081208 - 15 Aug 2025
Abstract
Background/Objectives: Natural products with claimed adaptogenic and/or immunomodulatory effects are widely used in traditional medicine systems across Eurasia. These include herbal remedies (e.g., Panax ginseng), fungi (e.g., Ganoderma lucidum), and animal-derived substances (e.g., propolis from Apis mellifera). Despite their [...] Read more.
Background/Objectives: Natural products with claimed adaptogenic and/or immunomodulatory effects are widely used in traditional medicine systems across Eurasia. These include herbal remedies (e.g., Panax ginseng), fungi (e.g., Ganoderma lucidum), and animal-derived substances (e.g., propolis from Apis mellifera). Despite their popularity, the safety profiles of these products—particularly concerning adverse events (AEs) and serious adverse events (SAEs)—remain insufficiently understood. This study aimed to assess the safety profiles of adaptogenic and immunomodulatory natural products through a scoping review of published human studies and an analysis of individual case safety reports (ICSRs) from the WHO-UMC VigiBase database. Methods: A scoping review was conducted using PubMed (1980–2024) in line with PRISMA-ScR guidelines. Eligible studies included randomized and non-randomized clinical trials and case reports in humans focused on safety outcomes. Data extraction followed the Joanna Briggs Institute (JBI) standardized template. ICSRs from VigiBase were analyzed by product type, AE type and seriousness, and demographic characteristics. The data were further organized to highlight the 15 most frequently reported products and their top five System Organ Classes (SOCs) and Preferred Terms (PTs). Results: The scoping review identified 51 natural products with reported adaptogenic and/or immunomodulatory properties. This included 285 clinical trials and 119 case studies on single-ingredient products and 54 clinical trials and 21 case studies on multi-ingredient preparations. Common AEs included gastrointestinal, dermatological, hepatic, cardiovascular, and immunological reactions. SAEs were rare but reported for Echinacea purpurea, Silybum marianum, and Camellia sinensis. From Vigibase, 45,042 ICSRs were retrieved for 49 natural products: 10,702 for single-ingredient and 34,340 for multi-ingredient products. Among 7856 reports listing a single-ingredient product as the sole suspect, 15.8% were SAEs, including eight fatal cases. However, the causality remained unclear due to insufficient data. Ganoderma lucidum, Viscum album, and Silybum marianum were most frequently associated with SAEs. In multi-ingredient products, propolis was frequently linked to hypersensitivity and skin reactions. Conclusions: This study provides a comprehensive overview of the safety profiles of adaptogenic and immunomodulatory natural products. Variability in product composition, lack of standardization, incomplete reporting in clinical studies, and underreporting in pharmacovigilance databases complicate accurate risk assessment. For multi-ingredient products, attributing specific AEs to specific components remains difficult. Further high-quality clinical research and improved pharmacovigilance are needed, along with clear safety warnings to reduce risks for consumers. Full article
27 pages, 1732 KiB  
Review
Modern Palatant Strategies in Dry and Wet Pet Food: Formulation Technologies, Patent Innovations, and Market Evolution
by Phatthranit Klinmalai, Pitiya Kamonpatana, Janenutch Sodsai, Khwanchat Promhuad, Atcharawan Srisa, Yeyen Laorenza, Attawit Kovitvadhi, Sathita Areerat, Anusorn Seubsai and Nathdanai Harnkarnsujarit
Foods 2025, 14(16), 2824; https://doi.org/10.3390/foods14162824 - 14 Aug 2025
Viewed by 200
Abstract
Palatability is a critical determinant of pet food performance, directly influencing voluntary intake, nutrient utilization, and therapeutic efficacy. In this systematic review, we examine peer-reviewed research publications, patent filings, and commercial product data pertaining to palatant technologies in dry and wet pet food [...] Read more.
Palatability is a critical determinant of pet food performance, directly influencing voluntary intake, nutrient utilization, and therapeutic efficacy. In this systematic review, we examine peer-reviewed research publications, patent filings, and commercial product data pertaining to palatant technologies in dry and wet pet food from 2014 to 2024. Major palatant classes—including fats, proteins, yeast extracts, and novel plant-derived or insect-based hydrolysates—are evaluated for their physicochemical properties, flavor-release mechanisms, and stability during processing. We analyze formulation techniques such as microencapsulation, Maillard-reaction enhancement, and multilayer coating systems, focusing on their impact on aromatic compound retention and palatability consistency. Patent landscape assessment identifies over 15 key innovations in delivery systems, life-stage-specific palatant modulation, and dual-phase release architectures. Dual-phase release architectures are defined as systems that deliver active compounds in two sequential phases, such as immediate and sustained release. Sensory evaluation methodologies—ranging from multivariate preference mapping to descriptive analysis—are critically appraised to correlate human-panel metrics with canine and feline feeding behavior. We also discuss strategic integration of palatants at different processing stages (pre-conditioning, extrusion, and post-extrusion) and the challenges of balancing taste masking with nutritional requirements, particularly in formulations containing alternative proteins for sustainability. Despite rapid market growth in functional palatant-infused products, peer-reviewed literature remains relatively limited, suggesting opportunities for further research on species-specific flavor drivers, synbiotic flavor–nutrient interactions, and novel delivery platforms. This comprehensive overview of palatant science, patent innovations, and market evolution provides evidence-based guidance for researchers, formulators, and veterinarians seeking to optimize organoleptic properties and consumer acceptance of next-generation pet foods. Full article
(This article belongs to the Section Nutraceuticals, Functional Foods, and Novel Foods)
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28 pages, 8717 KiB  
Article
Thermo-Kinetic Assessment of Ammonia/Syngas Combustion: Experimental and Numerical Investigation of Laminar Burning Velocity at Elevated Pressure and Temperature
by Mehrdad Kiani, Ali Akbar Abbasian Arani, Ehsan Houshfar, Mehdi Ashjaee and Pouriya H. Niknam
Fuels 2025, 6(3), 59; https://doi.org/10.3390/fuels6030059 - 12 Aug 2025
Viewed by 303
Abstract
The utilization of ammonia as a fuel for gas turbines involves practical challenges due to its low reactivity, narrow flammability limits, and slow laminar flame propagation. One of the potential solutions to enhance the combustion reactivity of ammonia is co-firing with syngas. This [...] Read more.
The utilization of ammonia as a fuel for gas turbines involves practical challenges due to its low reactivity, narrow flammability limits, and slow laminar flame propagation. One of the potential solutions to enhance the combustion reactivity of ammonia is co-firing with syngas. This paper presents an experimental and numerical investigation of the laminar burning velocity (LBV) of ammonia/syngas/air mixtures under elevated pressures (up to 10 bar) and temperatures (up to 473 K). Experiments were conducted in a constant-volume combustion chamber with a total volume of 11 L equipped with a dual-electrode capacitive discharge ignition system. A systematic sensitivity analysis was conducted to experimentally evaluate the system performance under various syngas compositions and equivalence ratios from 0.7 to 1.6 and ultimately identify the factors with the most impact on the system. As a complement to the experiments, a detailed numerical simulation was carried out integrating available kinetic mechanisms—chemical reaction sets and their rates—to support advancements in the understanding and optimization of ammonia/syngas co-firing dynamics. The sensitivity analysis results reveal that LBV is significantly enhanced by increasing the hydrogen content (>50%). Furthermore, the LBV of the gas mixture is found to increase with the use of a rich flame, higher mole fractions of syngas, and higher initial temperatures. The results indicate that higher pressure reduces LBV by 40% but at the same time enhances the adiabatic flame temperature (by 100 K) due to an equilibrium shift. The analysis was also extended to quantify the impact of syngas mole fractions and elevated initial temperatures. The kinetics of the reactions are analyzed through the reaction pathways, and the results reveal how the preferred pathways vary under lean and rich flame conditions. These findings provide valid quantitative design data for optimizing the combustion kinetics of ammonia/syngas blends, offering valuable design data for ammonia-based combustion systems in industrial gas turbines and power generation applications, reducing NOₓ emissions by up to 30%, and guiding future research directions toward kinetic models and emission control strategies. Full article
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16 pages, 2057 KiB  
Article
Comparison of Two Derivative Methods for the Quantification of Amino Acids in PM2.5 Using GC-MS/MS
by Jungmin Jo, Na Rae Choi, Eunjin Lee, Ji Yi Lee and Yun Gyong Ahn
Chemosensors 2025, 13(8), 292; https://doi.org/10.3390/chemosensors13080292 - 7 Aug 2025
Viewed by 291
Abstract
Amino acids (AAs), a type of nitrogen-based organic compounds in the atmosphere, are directly and indirectly related to climate change, and as their link to allergic diseases becomes more known, the need for quantitative analysis of ultrafine dust (PM2.5) will become [...] Read more.
Amino acids (AAs), a type of nitrogen-based organic compounds in the atmosphere, are directly and indirectly related to climate change, and as their link to allergic diseases becomes more known, the need for quantitative analysis of ultrafine dust (PM2.5) will become increasingly necessary. When sensing water-soluble AAs using a gas chromatograph combined with a tandem mass spectrometer (GC-MS/MS), derivatization should be considered to increase the volatility and sensitivity of target analytes. In this study, two methods were used to compare and evaluate 13 AA derivatives in PM2.5 samples: N-tert-butyldimethylsilyl-N-methyltrifluoroacetamide with 1% tert-butyldimethylchlorosilane (MTBSTFA w/1% t-BDMCS), which is preferred for silylation, and ethyl chloroformate (ECF) with methanol (MeOH) for chloroformate derivatization. The most appropriate reaction conditions for these two derivative methods, such as temperature and time, and the analytical conditions of GC-MS/MS for the qualitative and quantitative analysis of AAs were optimized. Furthermore, the calibration curve, detection limit, and recovery of both methods for validating the quantification were determined. The two derivative methods were applied to 23 actual PM2.5 samples to detect and quantify target AAs. The statistical significances between pairwise measurements of individual AAs detected by both methods were evaluated. This study will help in selecting and utilizing appropriate derivative methods for the quantification of individual AAs in PM2.5 samples. Full article
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28 pages, 8123 KiB  
Article
Human Metabolism of Sirolimus Revisited
by Baharak Davari, Touraj Shokati, Alexandra M. Ward, Vu Nguyen, Jost Klawitter, Jelena Klawitter and Uwe Christians
Metabolites 2025, 15(7), 489; https://doi.org/10.3390/metabo15070489 - 20 Jul 2025
Viewed by 625
Abstract
Background: Sirolimus (SRL, rapamycin) is a clinically important mTOR inhibitor used in immunosuppression, oncology, and cardiovascular drug-eluting devices. Despite its long-standing FDA approval, the human metabolic profile of SRL remains incompletely characterized. SRL is primarily metabolized by CYP3A enzymes in the liver and [...] Read more.
Background: Sirolimus (SRL, rapamycin) is a clinically important mTOR inhibitor used in immunosuppression, oncology, and cardiovascular drug-eluting devices. Despite its long-standing FDA approval, the human metabolic profile of SRL remains incompletely characterized. SRL is primarily metabolized by CYP3A enzymes in the liver and intestine, but the diversity, pharmacokinetics, and biological activity of its metabolites have been poorly explored due to the lack of structurally identified standards. Methods: To investigate SRL metabolism, we incubated SRL with pooled human liver microsomes (HLM) and isolated the resulting metabolites. Structural characterization was performed using high-resolution mass spectrometry (HRMS) and ion trap MSn. We also applied Density Functional Theory (DFT) calculations to assess the energetic favorability of metabolic transformations and conducted molecular dynamics (MD) simulations to model metabolite interactions within the CYP3A4 active site. Results: We identified 21 unique SRL metabolites, classified into five major structural groups: O-demethylated, hydroxylated, didemethylated, di-hydroxylated, and mixed hydroxylated/demethylated derivatives. DFT analyses indicated that certain demethylation and hydroxylation reactions were energetically preferred, correlating with metabolite abundance. MD simulations further validated these findings by demonstrating the favorable orientation and accessibility of key sites within the CYP3A4 binding pocket. Conclusions: This study provides a comprehensive structural map of SRL metabolism, offering mechanistic insights into the formation of its metabolites. Our integrated approach of experimental and computational analyses lays the groundwork for future investigations into the pharmacodynamic and toxicodynamic effects of SRL metabolites on the mTOR pathway. Full article
(This article belongs to the Section Pharmacology and Drug Metabolism)
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22 pages, 5644 KiB  
Article
Analysis of the Impact of the Drying Process and the Effects of Corn Race on the Physicochemical Characteristics, Fingerprint, and Cognitive-Sensory Characteristics of Mexican Consumers of Artisanal Tostadas
by Oliver Salas-Valdez, Emmanuel de Jesús Ramírez-Rivera, Adán Cabal-Prieto, Jesús Rodríguez-Miranda, José Manuel Juárez-Barrientos, Gregorio Hernández-Salinas, José Andrés Herrera-Corredor, Jesús Sebastián Rodríguez-Girón, Humberto Marín-Vega, Susana Isabel Castillo-Martínez, Jasiel Valdivia-Sánchez, Fernando Uribe-Cuauhtzihua and Víctor Hugo Montané-Jiménez
Processes 2025, 13(7), 2243; https://doi.org/10.3390/pr13072243 - 14 Jul 2025
Viewed by 817
Abstract
The objective of this study was to analyze the impact of solar and hybrid dryers on the physicochemical characteristics, fingerprints, and cognitive-sensory perceptions of Mexican consumers of traditional tostadas made with corn of different races. Corn tostadas from different native races were evaluated [...] Read more.
The objective of this study was to analyze the impact of solar and hybrid dryers on the physicochemical characteristics, fingerprints, and cognitive-sensory perceptions of Mexican consumers of traditional tostadas made with corn of different races. Corn tostadas from different native races were evaluated with solar and hybrid (solar-photovoltaic solar panels) dehydration methods. Proximal chemical quantification, instrumental analysis (color, texture), fingerprint by Fourier transform infrared spectroscopy (FTIR), and sensory-cognitive profile (emotions and memories) and its relationship with the level of pleasure were carried out. The data were evaluated using analysis of variance models, Cochran Q, and an external preference map (PREFMAP). The results showed that the drying method and corn race significantly (p < 0.05) affected only moisture content, lipids, carbohydrates, and water activity. Instrumental color was influenced by the corn race effect, and the dehydration type influenced the fracturability effect. FTIR fingerprinting results revealed that hybrid samples exhibited higher intensities, particularly associated with higher lime concentrations, indicating a greater exposure of glycosidic or protein structures. Race and dehydration type effects impacted the intensity of sensory attributes, emotions, and memories. PREFMAP vector model results revealed that consumers preferred tostadas from the Solar-Chiquito, Hybrid-Pepitilla, Hybrid-Cónico, and Hybrid-Chiquito races for their higher protein content, moisture, high fracturability, crunchiness, porousness, sweetness, doughy flavor, corn flavor, and burnt flavor, while images of these tostadas evoked positive emotions (tame, adventurous, free). In contrast, the Solar-Pepitilla tostada had a lower preference because it was perceived as sour and lime-flavored, and its tostada images evoked more negative emotions and memories (worried, accident, hurt, pain, wild) and fewer positive cognitive aspects (joyful, warm, rainy weather, summer, and interested). However, the tostadas of the Solar-Cónico race were the ones that were most rejected due to their high hardness and yellow to blue tones and for evoking negative emotions (nostalgic and bored). Full article
(This article belongs to the Special Issue Applications of Ultrasound and Other Technologies in Food Processing)
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20 pages, 2590 KiB  
Article
Application of Fused Filament Fabrication in Preparation of Ceramic Monolithic Catalysts for Oxidation of Gaseous Mixture of Volatile Aromatic Compounds
by Filip Car, Dominik Horvatić, Vesna Tomašić, Domagoj Vrsaljko and Zoran Gomzi
Catalysts 2025, 15(7), 677; https://doi.org/10.3390/catal15070677 - 11 Jul 2025
Viewed by 437
Abstract
The aim of this work was the preparation of ceramic monolithic catalysts for the catalytic oxidation of gaseous mixture of benzene, toluene, ethylbenzene and o-xylene BTEX. The possibility of using zirconium dioxide (ZrO2) as a filament for the fabrication of 3D-printed [...] Read more.
The aim of this work was the preparation of ceramic monolithic catalysts for the catalytic oxidation of gaseous mixture of benzene, toluene, ethylbenzene and o-xylene BTEX. The possibility of using zirconium dioxide (ZrO2) as a filament for the fabrication of 3D-printed ceramic monolithic carriers was investigated using fused filament fabrication. A mixed manganese and iron oxide, MnFeOx, was used as the catalytically active layer, which was applied to the monolithic substrate by wet impregnation. The approximate geometric surface area of the obtained carrier was determined to be 53.4 cm2, while the mass of the applied catalytically active layer was 50.3 mg. The activity of the prepared monolithic catalysts for the oxidation of BTEX was tested at different temperatures and space times. The results obtained were compared with those obtained with commercial monolithic catalysts made of ceramic cordierite with different channel dimensions, and with monolithic catalysts prepared by stereolithography. In the last part of the work, a kinetic analysis and the modeling of the monolithic reactor were carried out, comparing the experimental results with the theoretical results obtained with the 1D pseudo-homogeneous and 1D heterogeneous models. Although both models could describe the investigated experimental system very well, the 1D heterogeneous model is preferable, as it takes into account the heterogeneity of the reaction system and therefore provides a more realistic description. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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15 pages, 268 KiB  
Review
Intraoperative Cell Salvage in Oncologic Surgery: A Comprehensive Review
by Ward H. van der Ven and Markus W. Hollmann
J. Clin. Med. 2025, 14(13), 4786; https://doi.org/10.3390/jcm14134786 - 7 Jul 2025
Viewed by 600
Abstract
Intraoperative cell salvage (ICS) is a blood conservation technique utilized in major surgery, yet its application in oncologic procedures remains debated. Concerns persist about the theoretical risk of metastasis through reinfusion of tumor cells, despite the established disadvantages of allogeneic blood transfusion (ABT), [...] Read more.
Intraoperative cell salvage (ICS) is a blood conservation technique utilized in major surgery, yet its application in oncologic procedures remains debated. Concerns persist about the theoretical risk of metastasis through reinfusion of tumor cells, despite the established disadvantages of allogeneic blood transfusion (ABT), such as transfusion-related reactions and immunosuppression. In this review, we discuss the historical development of ICS, the technical processes of ICS including leukocyte depletion filtration and irradiation, and experimental and clinical data regarding its safety and efficacy. In vitro studies suggest that tumor cells undergo significant structural alterations during ICS processing, and additional filtration further reduces cell load, although complete removal is not always achieved. Observational studies of predominantly moderate quality, aggregated in multiple systematic reviews, consistently report no increased recurrence rates or reduced disease-free and overall survival in patients receiving ICS. Accordingly, national and international guidelines endorse the use of ICS during oncologic surgery. Although high-quality data—preferably from randomized controlled trials—are lacking, and certainty of available evidence from observational studies is low, ICS appears to be effective and safe. The broader adoption of its use during oncologic surgery may be warranted to minimize reliance on ABT and its associated risks. Full article
(This article belongs to the Section Anesthesiology)
10 pages, 1115 KiB  
Article
Ab Initio Study of Ti Segregation on the Pd–Ti Alloy Surface in the Presence of Adsorbed Atomic Oxygen
by Yufeng Wen, Yanlin Yu, Huaizhang Gu, Yaya Shi, Guoqi Zhao, Yuanxun Li and Qiuling Huang
Catalysts 2025, 15(7), 661; https://doi.org/10.3390/catal15070661 - 7 Jul 2025
Viewed by 442
Abstract
Surface segregation in bimetallic systems plays a critical role in material functionality, as electrochemical activity and catalytic performance are governed by the surface composition. To explore the influence of atomic oxygen on the surface composition of Pd–Ti alloys, density functional theory (DFT) simulations [...] Read more.
Surface segregation in bimetallic systems plays a critical role in material functionality, as electrochemical activity and catalytic performance are governed by the surface composition. To explore the influence of atomic oxygen on the surface composition of Pd–Ti alloys, density functional theory (DFT) simulations were utilized to analyze Ti segregation within Pd matrices. The adsorption behavior of atomic oxygen on Pd–Ti low-index (111), (100), and (110) surfaces was systematically investigated through energetic and electronic analyses. Simulation results reveal that Ti atoms prefer to remain in the bulk of the alloy under vacuum conditions, whereas oxygen adsorption induces significant Ti segregation to the surface layer. This oxygen-driven segregation is mechanistically linked to oxygen-surface bonding strength, as evidenced by correlating adsorption energetics with electronic structure modifications. These results provide a theoretical basis for engineering Pd–Ti alloys as high-performance catalysts in the oxygen reduction reaction. Full article
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37 pages, 888 KiB  
Review
A Review of the Effects of Nanomaterials on the Properties of Concrete
by Qi Yang, Qiuwei Yang, Xi Peng, Kangshuo Xia and Bin Xu
Buildings 2025, 15(13), 2363; https://doi.org/10.3390/buildings15132363 - 5 Jul 2025
Viewed by 722
Abstract
With the continuous improvement in technology, the construction industry is constantly advancing. Traditional concrete can no longer meet modern market demands, making research on new types of concrete imperative. This study reviews the application of common nanomaterials in concrete and their impact on [...] Read more.
With the continuous improvement in technology, the construction industry is constantly advancing. Traditional concrete can no longer meet modern market demands, making research on new types of concrete imperative. This study reviews the application of common nanomaterials in concrete and their impact on concrete performance. It provides a detailed explanation of the characteristics of three common nanomaterials: nano-silica, nano-calcium carbonate, and carbon nanotubes. This study analyzes how these materials improve the microstructure, accelerate hydration reactions, and enhance interfacial transition zones, thereby enhancing the mechanical properties, durability, and workability of concrete. For conventional engineering projects, nano-calcium carbonate is the preferred choice owing to its low cost and its capacity to improve workability and early-age strength. For high-strength and durable structures, nano-silica is selected due to its high specific surface area (ranging from 100 to 800 m2/g) and its superior compactness and impermeability. In the context of intelligent buildings, carbon nanotubes are the most suitable option because of their exceptional thermal conductivity and electrical conductivity (with axial thermal conductivity reaching 2000–6000 W/m*K and electrical conductivity ranging from 103 to 106 S/cm). However, it should be noted that carbon nanotubes are the most expensive among the three materials. Additionally, this study discusses the issues and challenges currently faced by the application of nanomaterials in concrete and looks ahead to future research directions, aiming to provide a reference for further research and engineering applications of nanomaterials in the field of concrete. Full article
(This article belongs to the Special Issue Application of Nanotechnology in Building Materials)
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20 pages, 5419 KiB  
Article
Analysis of Biomorphs in the Teleorman County of Romania
by Maria Magdalena Cernat Popa and Carmen Otilia Rusănescu
Plants 2025, 14(13), 2056; https://doi.org/10.3390/plants14132056 - 4 Jul 2025
Viewed by 364
Abstract
The study of flora is crucial for conserving natural resources and assessing human impact on the environment. This paper explores floristic diversity, the role of plants, and the integration of technology in botanical research. In the studied area, 462 plant species were identified. [...] Read more.
The study of flora is crucial for conserving natural resources and assessing human impact on the environment. This paper explores floristic diversity, the role of plants, and the integration of technology in botanical research. In the studied area, 462 plant species were identified. Bioform analysis revealed a predominance of hemicryptophytes (45.45%) and therophytes (26.19%), suggesting a warm climate and significant zoo-anthropogenic influences. Other bioforms were present in lower percentages. Most plant species in Teleorman County are mesophilic (39.39%) and mesoxerophilic (30.95%), indicating adaptation to moderate or slightly dry environments. Regarding temperature affinity, the majority are micromesotherms (62.98%), suited for mild thermal conditions. Soil reaction analysis showed a preference for weakly acidic neutrophilic (39.82%) and euryionic (33.76%) soils, indicating tolerance for neutral to slightly acidic pH levels. The research evaluates the structure and diversity of flora in Teleorman County and emphasizes the influence of climate factors such as humidity, temperature, and soil pH on species distribution. Using the transect method and fractal analysis, this study concludes that temperature is the dominant climatic factor shaping local biodiversity. Full article
(This article belongs to the Special Issue Plant Diversity and Classification)
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16 pages, 5587 KiB  
Article
Rotational vs. Vibrational Excitations in a Chemical Laser
by José Daniel Sierra Murillo
Physchem 2025, 5(3), 26; https://doi.org/10.3390/physchem5030026 - 4 Jul 2025
Viewed by 324
Abstract
The research reviews and contrasts two studies based on the gas-phase reaction OH + D2(v, j). In these studies, Quasi-Classical Trajectory (QCT) calculations and the Gaussian Binning (GB) technique were used on the Wu–Schatz–Lendvay–Fang–Harding (WSLFH) potential energy surface. Large sample sizes [...] Read more.
The research reviews and contrasts two studies based on the gas-phase reaction OH + D2(v, j). In these studies, Quasi-Classical Trajectory (QCT) calculations and the Gaussian Binning (GB) technique were used on the Wu–Schatz–Lendvay–Fang–Harding (WSLFH) potential energy surface. Large sample sizes allow for precise energy state distribution analysis across translational, vibrational, and rotational components in the products. A key observation is the influence of the vibrational and rotational excitation of D2 on the total angular momentum (J′) of the HOD* product. This study reveals that increasing the vibrational level, vD2, significantly shifts P(J′) distributions toward higher values, broadening them due to increased isotropy. In contrast, increasing the rotational level, jD2, results in a smaller shift but introduces greater anisotropy, leading to a more selective distribution of J′ values. The dual Gaussian Binning selection—Vibrational-GB followed by Rotational-GB—further highlights a preference for either odd or even J′ values, depending on the specific excitation conditions. These findings have implications for the development of chemical lasers, as the excitation and emission properties of HOD* can be leveraged in the laser design. Future research aims to extend this study to a broader range of initial conditions, refining the understanding of reaction dynamics in controlled gas-phase environments. Full article
(This article belongs to the Section Application of Lasers to Physical Chemistry)
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17 pages, 1570 KiB  
Article
Overcoming Scaling Challenges in Sol–Gel Synthesis: A Microwave-Assisted Approach for Iron-Based Energy Materials
by Judith González-Lavín, Ana Arenillas and Natalia Rey-Raap
Microwave 2025, 1(2), 6; https://doi.org/10.3390/microwave1020006 - 30 Jun 2025
Viewed by 362
Abstract
There is currently an effort to scale up sol–gel nanomaterials without compromising quality, and microwave heating can pave the way for this due to its heating efficiency, resulting in a fast and homogeneous process. In this work, the sol–gel synthesis of transition metal [...] Read more.
There is currently an effort to scale up sol–gel nanomaterials without compromising quality, and microwave heating can pave the way for this due to its heating efficiency, resulting in a fast and homogeneous process. In this work, the sol–gel synthesis of transition metal aerogels, specifically iron-based aerogels, is studied using a microwave-assisted sol–gel methodology in an open-system multimode device as a potential route to scale-up production. Different approaches were tested to evaluate the best way to increase yield per batch, with different vessel shapes and volumes. It is shown that the shape and size of the vessel can be determinant in the interaction with microwaves and, thus, in the heating process, influencing the sol–gel reactions and the characteristics and homogeneity of the obtained nanomaterials. It has been found that a wide vessel is preferable to a tall and narrow one since the heating process is more homogeneous in the former and the sol–gel and cross-linking reactions take place earlier, which improves the mechanical properties of the final nanomaterial. For mass production of nanomaterials, the interaction of the reagents with the microwave field must be considered, and this depends not only on their nature but also on their volume, shape, and arrangement inside the cavity. Full article
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14 pages, 3020 KiB  
Article
A Scoring Model for Catalyst Informatics Based on Real-Time High-Throughput Fluorogenic Assay for Catalyst Discovery and Kinetic Profiling
by Rama El-khawaldeh, Connor R. Bourgonje, Bowen Wang and Juan C. Scaiano
Catalysts 2025, 15(7), 636; https://doi.org/10.3390/catal15070636 - 30 Jun 2025
Viewed by 358
Abstract
In this work, we propose an automated, real-time optical scanning approach to assessing catalyst performance in the process of nitro-to-amine reduction using well-plate readers to monitor reaction progress. This approach takes advantage of a simple on–off fluorescence probe that gives a shift in [...] Read more.
In this work, we propose an automated, real-time optical scanning approach to assessing catalyst performance in the process of nitro-to-amine reduction using well-plate readers to monitor reaction progress. This approach takes advantage of a simple on–off fluorescence probe that gives a shift in absorbance and strong fluorescent signal when the non-fluorescent nitro-moiety is reduced to the amine form. The combination of an affordable probe and a low barrier-to-entry technique provides an accessible approach to high-throughput catalyst screening. Under this paradigm, we screened 114 different catalysts and compared them in terms of reaction completion times, material abundance, price, recoverability, and safety. Using a simple scoring system, we plotted the catalysts in terms of cumulative scores, along with some intentional biases, including an emphasis on preference for catalysts with potential as green catalysts, considering environmental issues and possible geopolitical preferences. Full article
(This article belongs to the Section Catalytic Reaction Engineering)
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14 pages, 1085 KiB  
Article
Validation of Rapid Point-of-Care Diagnostic Tests for Sexually Transmitted Infection Self-Testing Among Adolescent Girls and Young Women
by Krishnaveni Reddy, Jiaying Hao, Nompumelelo Sigcu, Merusha Govindasami, Nomasonto Matswake, Busisiwe Jiane, Reolebogile Kgoa, Lindsay Kew, Nkosiphile Ndlovu, Reginah Stuurman, Hlengiwe Mposula, Jennifer Ellen Balkus, Renee Heffron and Thesla Palanee-Phillips
Diagnostics 2025, 15(13), 1604; https://doi.org/10.3390/diagnostics15131604 - 25 Jun 2025
Viewed by 878
Abstract
Background/Objectives: High rates of sexually transmitted infections (STIs) increase HIV transmission risk among adolescent girls and young women (AGYW) in South Africa. AGYW prefer discreet self-testing options for HIV and pregnancy; however, other STI self-testing options are currently unavailable in this region. [...] Read more.
Background/Objectives: High rates of sexually transmitted infections (STIs) increase HIV transmission risk among adolescent girls and young women (AGYW) in South Africa. AGYW prefer discreet self-testing options for HIV and pregnancy; however, other STI self-testing options are currently unavailable in this region. Methods: Seven Chlamydia trachomatis (CT), Neisseria gonorrhea (NG) and Trichomonas vaginalis (TV) assays were validated for AGYW self-test use (using self-collected vaginal samples) in a cross-sectional study (PROVE). Paired GeneXpert® NG/CT (Cepheid®, Sunnyvale, CA, USA) and OSOM® Trichomonas test (Sekisui Diagnostics, Burlington, MA, USA) results from nurse-collected samples served as reference results to calculate sensitivity, specificity, positive predictive values (PPV), and negative predictive values (NPV). One test, the polymerase chain reaction (PCR)-based Visby Medical™ Sexual Health Test device (Visby Medical™, San Jose, CA, USA), was validated for accuracy of positive test results using self-collected samples and home-based testing in a longitudinal follow-up study enrolling AGYW aged 16–18 years. Paired GeneXpert® NG/CT and TV results from nurse-collected vaginal samples served as reference tests. Results: In PROVE, 146 AGYW contributed 558 paired samples. The Visby Medical™ Sexual Health Test exhibited moderate to high sensitivity (66.7–100%), specificity (80–100%), NPV (66.7–100%), and PPV (66.7–100%) for NG, CT, and TV. The remaining tests’ performances were markedly lower. In the longitudinal study, 28 AGYW contributed 84 paired samples, and the Visby Medical™ Sexual Health Test demonstrated 100% accuracy of positive results for CT, NG, and TV. Conclusions: The Visby Medical™ Sexual Health Test demonstrated high reliability as a potential option for AGYW to discreetly self-test for multiple STIs concurrently. Testing of its acceptability, utility, and feasibility in a larger sample of AGYW is in progress. Full article
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