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Molecules, Volume 30, Issue 5 (March-1 2025) – 215 articles

Cover Story (view full-size image): Ultralong hydroxyapatite nanowires (UHAPNWs) exhibit a meritorious combination of high flexibility, excellent mechanical performance, high biocompatibility, and bioactivity. In this work, we develop an environmentally friendly, rapid, and efficient protocol for the synthesis of ultrathin UHAPNWs by means of the microwave-assisted calcium oleate precursor hydrothermal method using biogenic creatine phosphate as the bio-phosphorus source. Ultrathin UHAPNWs exhibit a relatively high specific surface area of 84.30 m2 g–1 and high ibuprofen drug loading capacity. The flexible bio-paper constructed from interwoven ibuprofen-loaded ultrathin UHAPNWs can sustainably deliver ibuprofen in phosphate-buffered saline, which is promising for various biomedical applications such as tissue regeneration, with anti-inflammatory and analgesic functions. View this paper
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13 pages, 5633 KiB  
Article
Mechanistic Study of L-Rhamnose Monohydrate Dehydration Using Terahertz Spectroscopy and Density Functional Theory
by Bingxin Yan, Zeyu Hou, Yuhan Zhao, Bo Su, Cunlin Zhang and Kai Li
Molecules 2025, 30(5), 1189; https://doi.org/10.3390/molecules30051189 - 6 Mar 2025
Viewed by 511
Abstract
L-rhamnose has recently gained attention for its potential to enhance vaccine antigenicity. To optimize its use as a vaccine adjuvant, it is important to understand the dehydration behavior of L-rhamnose monohydrate, which plays a critical role in modifying its physicochemical properties. This study [...] Read more.
L-rhamnose has recently gained attention for its potential to enhance vaccine antigenicity. To optimize its use as a vaccine adjuvant, it is important to understand the dehydration behavior of L-rhamnose monohydrate, which plays a critical role in modifying its physicochemical properties. This study investigated the spectroscopic characteristics of L-rhamnose and its monohydrate using terahertz time-domain spectroscopy (THz-TDS), Raman spectroscopy, and powder X-ray diffraction (PXRD). The results indicate that THz-TDS can more effectively distinguish the spectral features of these two compounds and can be used to reflect the structural changes in L-rhamnose monohydrate before and after dehydration. THz spectral data show that dehydration of L-rhamnose occurs at 100 °C, and continuous heating at 100 °C can complete the dehydration process within 6 min. Density functional theory (DFT) calculations revealed that water molecule vibrations significantly affect the THz absorption peaks. These findings indicate that removing water during dehydration causes substantial changes in molecular structure and dynamics. Overall, this study highlights the value of combining THz-TDS with DFT calculations to investigate the structures of carbohydrates and their hydrates, providing an accurate method for understanding the dehydration process and molecular interactions in hydrated systems. This approach holds significant importance for the development of effective vaccine adjuvants. Full article
(This article belongs to the Special Issue Exclusive Feature Papers in Analytical Chemistry)
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14 pages, 5270 KiB  
Article
Comprehensive Analysis of the Synergistic Effects of Bimetallic Oxides in CoM/γ-Al2O3 (M = Cu, Fe, or Ni) Catalysts for Enhancing Toluene Combustion Efficiency
by Yuwei Tang, Xu Yang, Qinglong Zhang, Dongmei Lv, Shufeng Zuo and Jing Li
Molecules 2025, 30(5), 1188; https://doi.org/10.3390/molecules30051188 - 6 Mar 2025
Viewed by 477
Abstract
Catalytic combustion is an efficient and economic technology for eliminating volatile organic compounds (VOCs) in industrial environments. This study evaluated the synergistic catalytic properties of bimetallic oxides, viz., CoM/γ-Al2O3 (M = Cu, Fe, or Ni), for improving the combustion efficiency [...] Read more.
Catalytic combustion is an efficient and economic technology for eliminating volatile organic compounds (VOCs) in industrial environments. This study evaluated the synergistic catalytic properties of bimetallic oxides, viz., CoM/γ-Al2O3 (M = Cu, Fe, or Ni), for improving the combustion efficiency of toluene. The CoM/γ-Al2O3 catalysts were prepared by an impregnation method and characterized by using advanced techniques. Among the bimetallic catalysts, CoCu/γ-Al2O3 exhibited the best performance. The findings revealed that owing to the strong synergistic interaction between Cu, Co, and the γ-Al2O3 support, the active species in the CoCu/γ-Al2O3 catalyst were effectively stabilized, and they significantly enhanced the redox performance and acidity of the catalyst, demonstrating superior catalytic activity and sulfur resistance. Conversely, the CoFe/γ-Al2O3 catalyst performed poorly, exhibiting a significant decline in its activity owing to sulfur poisoning. The insights from this study provide theoretical support for designing efficient, sulfur-resistant catalysts that are crucial to reducing industrial VOC emissions. Full article
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17 pages, 5824 KiB  
Article
Forsythiaside A Reduces Acetaminophen Hepatotoxic Metabolism by Inhibiting Pregnane X Receptor
by Sisi Pu, Yangyang Pan, Zuoyang Wang, Huimin Liu, Jianhui Zhang, Qian Zhang and Meng Wang
Molecules 2025, 30(5), 1187; https://doi.org/10.3390/molecules30051187 - 6 Mar 2025
Viewed by 618
Abstract
Overdose intake of acetaminophen (APAP) causes liver injury involving hepatic drug metabolism and activation of oxidative stress pathways, and forsythiaside A (FA) has hepatoprotective pharmacological activity, but knowledge of the mechanism of FA treatment for APAP liver injury is still lacking the literature. [...] Read more.
Overdose intake of acetaminophen (APAP) causes liver injury involving hepatic drug metabolism and activation of oxidative stress pathways, and forsythiaside A (FA) has hepatoprotective pharmacological activity, but knowledge of the mechanism of FA treatment for APAP liver injury is still lacking the literature. In this study, we investigated the effects of FA on the pregnane X receptor (PXR) by molecular docking and reporter gene assays. In addition, we explored the effects of FA on oxidative stress, endoplasmic reticulum stress (ERS), apoptosis, and hepatic pathology by interfering with PXR in ex vivo and in vivo models. The results showed that FA decreased the PXR protein expression level and effectively reduced the oxidative stress level in the APAP model. In addition, FA reduced the expression of ERS pathway ProteinkinaseR-likeERkinase (PERK)-translation initiation factor 2 (eIF-2α)-activating transcription factor 4 (ATF4) by inhibiting PXR, and at the same time, decreased the expression of apoptotic proteins C/EBP homologous protein (CHOP), Bax, Caspase 3, and Caspase 7, and elevated the expression of apoptosis-suppressing protein Bcl-2, which ultimately treated the hepatic pathology injury of APAP in mice. The present study confirmed that FA improved APAP metabolism by inhibiting PXR-mediated CYP1A2 and CYP3A11 and alleviated APAP-induced hepatic impairment by inhibiting hepatic oxidative stress, ERS, and apoptosis. Full article
(This article belongs to the Section Medicinal Chemistry)
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26 pages, 1958 KiB  
Review
Phytochemical Insights and Therapeutic Potential of Chamaenerion angustifolium and Chamaenerion latifolium
by Akmaral Kozhantayeva, Zhanar Iskakova, Manshuk Ibrayeva, Ardak Sapiyeva, Moldir Arkharbekova and Yerbolat Tashenov
Molecules 2025, 30(5), 1186; https://doi.org/10.3390/molecules30051186 - 6 Mar 2025
Viewed by 592
Abstract
The Chamaenerion genus, particularly Chamaenerion angustifolium and Chamaenerion latifolium, is recognized for its rich phytochemical composition and extensive medicinal properties. These species are abundant in polyphenols, flavonoids, and tannins, which contribute to their potent antioxidant, antimicrobial, and anticancer activities. This review provides [...] Read more.
The Chamaenerion genus, particularly Chamaenerion angustifolium and Chamaenerion latifolium, is recognized for its rich phytochemical composition and extensive medicinal properties. These species are abundant in polyphenols, flavonoids, and tannins, which contribute to their potent antioxidant, antimicrobial, and anticancer activities. This review provides a comprehensive analysis of their phytochemical constituents, with an emphasis on how processing methods, including fermentation, influence bioactivity. Notably, fermentation enhances the levels of key bioactive compounds, such as oenothein B, gallic acid, and ellagic acid, thereby increasing their pharmacological potential. Additionally, this review evaluates the biological activities of Chamaenerion species in relation to their chemical composition, while also considering the limitations of current studies, such as the lack of in vivo or clinical trials. The literature for this review was sourced from scientific databases, including PubMed, Scopus, and ScienceDirect, covering research from 2010 to 2024. Future studies should focus on optimizing extraction methods, elucidating synergistic bioactivities, and conducting in-depth clinical trials to validate their efficacy and safety. Full article
(This article belongs to the Special Issue Bioactive Compounds and Antioxidant Activity of Extracts from Natural Plants)
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19 pages, 3923 KiB  
Article
Synbiotic Microencapsulation of Lactobacillus Strains from Mexican Fermented Beverages for Enhanced Probiotic Functionality
by Morayma Ramírez-Damián, Cynthia Garfias-Noguez, Luis G. Bermúdez-Humarán and María Elena Sánchez-Pardo
Molecules 2025, 30(5), 1185; https://doi.org/10.3390/molecules30051185 - 6 Mar 2025
Viewed by 795
Abstract
Synbiotics, which combine probiotics and prebiotics, represent an innovative approach to developing functional foods with enhanced health benefits compared to their individual components. This study focuses on the production of synbiotics through the microencapsulation of Lactobacillus strains isolated from traditional Mexican fermented beverages, [...] Read more.
Synbiotics, which combine probiotics and prebiotics, represent an innovative approach to developing functional foods with enhanced health benefits compared to their individual components. This study focuses on the production of synbiotics through the microencapsulation of Lactobacillus strains isolated from traditional Mexican fermented beverages, contributing to the advancement of technologies for functional food development. Three Lactobacillus strains (Lacticaseibacillus rhamnosus LM07, Lactiplantibacillus plantarum LM19, and Levilactobacillus brevis LBH1070) were microencapsulated by spray-drying using a mixture of maltodextrin and gum arabic as wall materials and inulin as a prebiotic. The microencapsulation process achieved high survival rates (>90%), low moisture content (~5%), and low water activity (~0.3), ensuring long-term stability. Notably, the microencapsulated strains demonstrated improved tolerance to gastrointestinal conditions, enhanced adhesion properties, and increased antioxidant activity compared to non-microencapsulated strains. These results highlight the potential of microencapsulation as an innovative technology not only to preserve but also to enhance probiotic properties, facilitating the development of functional foods with improved health-promoting properties, extended shelf life, and stability at room temperature. Full article
(This article belongs to the Special Issue Innovative Technologies for Functional Foods Development)
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35 pages, 3591 KiB  
Review
Botanical Flavonoids: Efficacy, Absorption, Metabolism and Advanced Pharmaceutical Technology for Improving Bioavailability
by Lei Hu, Yiqing Luo, Jiaxin Yang and Chunsong Cheng
Molecules 2025, 30(5), 1184; https://doi.org/10.3390/molecules30051184 - 6 Mar 2025
Viewed by 1187
Abstract
Flavonoids represent a class of natural plant secondary metabolites with multiple activities including antioxidant, antitumor, anti-inflammatory, and antimicrobial properties. However, due to their structural characteristics, they often exhibit low bioavailability in vivo. In this review, we focus on the in vivo study of [...] Read more.
Flavonoids represent a class of natural plant secondary metabolites with multiple activities including antioxidant, antitumor, anti-inflammatory, and antimicrobial properties. However, due to their structural characteristics, they often exhibit low bioavailability in vivo. In this review, we focus on the in vivo study of flavonoids, particularly the effects of gut microbiome on flavonoids, including common modifications such as methylation, acetylation, and dehydroxylation, etc. These modifications aim to change the structural characteristics of the original substances to enhance absorption and bioavailability. In order to improve the bioavailability of flavonoids, we discuss two feasible methods, namely dosage form modification and chemical modification, and hope that these approaches will offer new insights into the application of flavonoids for human health. In this article, we also introduce the types, plant sources, and efficacy of flavonoids. In conclusion, this is a comprehensive review on how to improve the bioavailability of flavonoids. Full article
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17 pages, 9551 KiB  
Article
A Study on the Electrochemical Performance of SLMed Al6061/TiB2 Composite Anodes Caused by Laser Power
by Jitai Han, Kui Zhu, Chenglong Li, Yin Li, Sida Tang and Peng Li
Molecules 2025, 30(5), 1183; https://doi.org/10.3390/molecules30051183 - 6 Mar 2025
Viewed by 402
Abstract
Aluminum–air batteries have attracted more attention in recent years due to the theoretical possibility of replacing lithium batteries. Al6061/0.5wt.%TiB2 is considered a suitable anode material due to decreased hydrogenation corrosion. In this work, laser power was optimized via a selective laser melting [...] Read more.
Aluminum–air batteries have attracted more attention in recent years due to the theoretical possibility of replacing lithium batteries. Al6061/0.5wt.%TiB2 is considered a suitable anode material due to decreased hydrogenation corrosion. In this work, laser power was optimized via a selective laser melting process to increase the electrochemical and discharge performance of an Al composite anode. Relative density was studied in this work, and the formation mechanism caused by molten pool morphology was also researched using finite element analysis and experiments. The self-corrosion rate, open-circuit potential, polarization curve, EIS curve, and constant-current discharge performance were all studied in the following section, and the relationship between anode quality and laser power was discussed accordingly. The testing results revealed that when laser power reached 340 W, the Al6061/0.5wt.%TiB2 composite anode reached a relative optimal condition as defects reduced to a minimum value at this point, which resulted in overall anode performance increasing in the electrochemical and discharge test. Full article
(This article belongs to the Section Electrochemistry)
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12 pages, 4056 KiB  
Article
Performance and Mechanism of Hydrolyzed Keratin for Hair Photoaging Prevention
by Jiayi Fan, Lei Wu, Jing Wang, Xiaoying Bian, Chongchong Chen and Kuan Chang
Molecules 2025, 30(5), 1182; https://doi.org/10.3390/molecules30051182 - 6 Mar 2025
Viewed by 870
Abstract
Photoaging is common and represents one of the primary pathways for hair damage in daily life. Hydrolyzed keratin, which is usually derived from wool and consists of a series of polypeptide molecules, has been investigated as a UV damage prevention ingredient for hair [...] Read more.
Photoaging is common and represents one of the primary pathways for hair damage in daily life. Hydrolyzed keratin, which is usually derived from wool and consists of a series of polypeptide molecules, has been investigated as a UV damage prevention ingredient for hair care. Scanning Electron Microscopy (SEM) and fluorescent penetration experiments verified that hydrolyzed keratin can deposit on the hair cuticles to form a film and partly penetrate into the hair cortex. This film played as a UV reducer and helped hair resist surface damage and maintain a sleek and healthy morphology after UV radiation. Surprisingly, it was found that hydrolyzed keratin treatment combined with subsequent UV radiation could significantly improve the tensile properties of hair. For hydrolyzed-keratin-treated hair, tensile strength was maintained after UV radiation, while, as a comparison, it decreased by 14.32% for untreated hair. This phenomenon is explained by a UV-induced degradation–penetration mechanism. During UV radiation, an increase in free amino acid content and conductivity was observed for the hydrolyzed keratin solution, demonstrating photodegradation into smaller peptides and amino acids. The degradation of hydrolyzed keratin allowed it to more easily enter the interior of the hair cortex, thereby enhancing its tensile properties by enhancing the chemical bonds. Full article
(This article belongs to the Special Issue Functional Molecules as Novel Cosmetic Ingredients)
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33 pages, 1309 KiB  
Review
The Pharmaceutical and Pharmacological Potential Applications of Bilosomes as Nanocarriers for Drug Delivery
by Darko Mitrović, Dragana Zaklan, Maja Đanić, Bojan Stanimirov, Karmen Stankov, Hani Al-Salami and Nebojša Pavlović
Molecules 2025, 30(5), 1181; https://doi.org/10.3390/molecules30051181 - 6 Mar 2025
Cited by 2 | Viewed by 1173
Abstract
Nano-drug delivery systems provide targeted solutions for addressing various drug delivery challenges, leveraging nanotechnology to enhance drug solubility and permeability. Liposomes, explored for several decades, face hurdles, especially in oral delivery. Bile-acid stabilized vesicles (bilosomes) are flexible lipid vesicles, composed of phospholipids or [...] Read more.
Nano-drug delivery systems provide targeted solutions for addressing various drug delivery challenges, leveraging nanotechnology to enhance drug solubility and permeability. Liposomes, explored for several decades, face hurdles, especially in oral delivery. Bile-acid stabilized vesicles (bilosomes) are flexible lipid vesicles, composed of phospholipids or other surfactants, along with amphiphilic bile salts, and they show superior stability and pharmacokinetic behavior in comparison to conventional vesicular systems (liposomes and niosomes). Bilosomes enhance skin penetration, fluidize the stratum corneum, and improve drug stability. In oral applications, bilosomes overcome drawbacks, offering improved bioavailability, controlled release, and reduced side effects. Vaccines using bilosomes demonstrate efficacy, and bilosomes for intranasal, inhalation, ocular, and buccal applications enhance drug delivery, offering targeted, efficient, and controlled activities. Formulations vary based on active substances and optimization techniques, showcasing the versatility and potential of bilosomes across diverse drug delivery routes. Therefore, the aim of this comprehensive review was to critically explore the state-of-the-art of bilosomes in drug delivery and potential therapeutic applications. Full article
(This article belongs to the Special Issue Lipids and Surfactants in Delivery Systems)
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20 pages, 3813 KiB  
Article
Extraction of Curcuminoids and Carvacrol with Biobased Ionic Liquids—Evaluation of Anti-Cancer Properties of Curcuminoid Extracts
by Chefikou Salami, Jean-Pierre Mbakidi, Sandra Audonnet, Sylvie Brassart-Pasco and Sandrine Bouquillon
Molecules 2025, 30(5), 1180; https://doi.org/10.3390/molecules30051180 - 6 Mar 2025
Viewed by 567
Abstract
Six biobased ionic liquids were prepared from saturated fatty acids (octanoic, decanoic and dodecanoic acids) and choline with yields up to 90% following procedures respecting green chemistry principles. These ionic liquids were fully characterized (NMR, IR, elemental analysis, viscosimetry and TGA) and used [...] Read more.
Six biobased ionic liquids were prepared from saturated fatty acids (octanoic, decanoic and dodecanoic acids) and choline with yields up to 90% following procedures respecting green chemistry principles. These ionic liquids were fully characterized (NMR, IR, elemental analysis, viscosimetry and TGA) and used as extraction solvents for bioactive compounds (curcuminoids and carvacrol) using classical conditions, and the ionic liquids were able to be recovered after five runs without loss of activity. The ionic liquid containing a C12 carbon chain was the best extracting solvent, extracting 95% of the total curcuminoids contained in turmeric and 69% of the total carvacrol contained in oregano, which are higher yields compared to the extraction procedures described in the literature. As C12 ionic liquids were more cytotoxic than C8 ones, the biological activity of the curcuminoids extracted with C8 ionic liquids was evaluated on a MIAPaCa-2, a pancreatic adenocarcinoma cell line for which antitumor activity of curcuminoids had previously been reported. Compared to the cytotoxicity of the commercially available extract, the cytotoxic activity of the extracts was slightly weaker. Full article
(This article belongs to the Special Issue Extraction, Characterization, and Potential Applications of Bioactive Molecules from Natural Sources, 4th Edition)
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21 pages, 1749 KiB  
Article
Chemical Characterization and Bioactivities of Sericin Extracted from Silkworm Cocoons from Two Regions of Portugal
by Sara Reis, Carina Spencer, Cristina M. Soares, Soraia I. Falcão, Sónia P. Miguel, Maximiano P. Ribeiro, Lillian Barros, Paula Coutinho and Josiana Vaz
Molecules 2025, 30(5), 1179; https://doi.org/10.3390/molecules30051179 - 6 Mar 2025
Viewed by 645
Abstract
Sericin has been characterized as demonstrating a variety of bioactivities, establishing it as a valuable resource for biomedical and pharmaceutical applications. The diverse biological activities of sericin are likely linked to its unique biochemical composition and properties. This study aimed to assess the [...] Read more.
Sericin has been characterized as demonstrating a variety of bioactivities, establishing it as a valuable resource for biomedical and pharmaceutical applications. The diverse biological activities of sericin are likely linked to its unique biochemical composition and properties. This study aimed to assess the effect of origin, seasonality, and amino acid composition on the bioactivity of sericin samples from two Portuguese regions compared to commercial sericin. The amino acid profile was analyzed using HPLC-FLD. Moreover, several bioactivities were assessed through in vitro assays, including antiproliferative effects, cell migration, antimicrobial activity, anticoagulant properties, antioxidant capacity, and anti-inflammatory effects. The results obtained in this work revealed that the origin and season affect the sericin amino acid profile. In its pure state, sericin exhibited a low content of free amino acids, with tyrosine being the most abundant (53.42–84.99%). In contrast, hydrolyzed sericin displayed a higher amino acid content dominated by serine (54.05–59.48%). Regarding bioactivities, the sericin tested did not demonstrate antioxidant or anti-inflammatory potential in the conducted tests. Notwithstanding, it showed antiproliferative activity in contact with human tumor cell lines at a minimum concentration of 0.52 mg/mL. Regarding antimicrobial activity, sericin had the capacity to inhibit the growth of the bacteria and fungi tested at concentrations between 5 and 10 mg/mL. Additionally, sericin demonstrated its capacity to prolong the coagulation time in pooled human plasma, indicating a potential anticoagulant activity. In addition, the origin and season also revealed their impact on biological activities, and sericin collected in Bragança in 2021 (S3) and 2022 (S4) demonstrated higher antiproliferative, antibacterial, and anticoagulant potentials. Future studies should focus on optimizing sericin’s bioactivities and elucidating its molecular mechanisms for clinical and therapeutic applications. Full article
(This article belongs to the Special Issue Pharmacological and Biological Activities of Bioactive Compounds in Natural Products)
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19 pages, 1133 KiB  
Review
Polysaccharides with Arabinose: Key Players in Reducing Chronic Inflammation and Enhancing Immune Health in Aging
by Patricia Pantoja Newman, Brenda Landvoigt Schmitt, Rafael Moura Maurmann and Brandt D. Pence
Molecules 2025, 30(5), 1178; https://doi.org/10.3390/molecules30051178 - 6 Mar 2025
Cited by 1 | Viewed by 719
Abstract
Aging is associated with a decline in physiological performance leading to increased inflammation and impaired immune function. Polysaccharides (PLs) found in plants, fruits, and fungi are emerging as potential targets for therapeutic intervention, but little is known about their effects on chronic inflammation [...] Read more.
Aging is associated with a decline in physiological performance leading to increased inflammation and impaired immune function. Polysaccharides (PLs) found in plants, fruits, and fungi are emerging as potential targets for therapeutic intervention, but little is known about their effects on chronic inflammation and aging. This review aims to highlight the current advances related to the use of PLs, with the presence of arabinose, to attenuate oxidative stress and chronic and acute inflammation, and their immunomodulatory effects associated with antioxidant status in monocytes, macrophages, and neutrophil infiltration, and leukocyte rolling adhesion in neutrophils. In addition, recent studies have shown the importance of investigating the ‘major’ monosaccharide, such as arabinose, present in several of these polysaccharides, and with described effects on gut microbiome, glucose, inflammation, allergy, cancer cell proliferation, neuromodulation, and metabolic stress. Perspectives and opportunities for further investigation are provided. By promoting a balanced immune response and reducing inflammation, PLs with arabinose or even arabinose per se may alleviate the immune dysregulation and inflammation seen in the elderly, therefore providing a promising strategy to mitigate a variety of diseases. Full article
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16 pages, 2811 KiB  
Article
Extraction and Analysis of Phenolic Compounds from Rocket: Development of a Green and Innovative DES-Based Extraction Method
by Vittoria Terrigno, Susanna Della Posta, Giorgia Pietrangeli, Teodora Chiara Tonto, Vittoria Locato, Laura De Gara and Chiara Fanali
Molecules 2025, 30(5), 1177; https://doi.org/10.3390/molecules30051177 - 6 Mar 2025
Viewed by 550
Abstract
Eruca sativa Mill. is an annual plant belonging to the Cruciferous family that is characterized by the presence of antioxidant bioactive molecules such as phenolic compounds. Their extraction is usually performed through solid–liquid extraction based on the use of organic solvent. Deep eutectic [...] Read more.
Eruca sativa Mill. is an annual plant belonging to the Cruciferous family that is characterized by the presence of antioxidant bioactive molecules such as phenolic compounds. Their extraction is usually performed through solid–liquid extraction based on the use of organic solvent. Deep eutectic solvents (DESs) are new green solvents capable of increasing bioactive molecules yield if replaced with organic solvents. The aim of this work was to develop a green analytical method based on the use of DESs for the determination of phenolic compounds in rocket plants. The extraction optimization involved the selection of the best extraction solvent among different selected DESs and the study of the parameters that mainly affect the extraction yield: the quantity of water to add to the selected DES to reduce its viscosity, the matrix-to-solvent ratio, and the time and temperature of the extraction. ChCl-glucose (1:2 molar ratio) DES was selected as the extraction solvent under the following optimized conditions: 1:50 (w/v) as the matrix-to-solvent ratio; 30% of water was added to the DES; extraction time of 30 min; and extraction temperature of 50 °C. The rocket phenolic compounds profile was determined through a high-performance liquid chromatography coupled with mass spectrometry (HPLC-MS) analysis. The innovative green method was applied to real plant samples to determine the growth conditions that favored the accumulation of bioactive molecules. Full article
(This article belongs to the Special Issue Advances in Green Solvents for Analytical Chemistry: Deep Eutectic Solvents and Biosolvents)
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12 pages, 5153 KiB  
Article
Preparation of CL-20 with Controllable Particle Size Using Microfluidic Technology
by Zihao Zhang, Jin Yu, Yujia Wen, Hanyu Jiang, Siyu Xu, Yubao Shao, Ergang Yao, Heng Li and Fengqi Zhao
Molecules 2025, 30(5), 1176; https://doi.org/10.3390/molecules30051176 - 6 Mar 2025
Viewed by 532
Abstract
As a typical high-energy-density material, the sensitivity of CL-20 severely limits its application in explosives and propellants. Adjusting its structure at the microscopic level can effectively solve such problems. In this study, a microfluidic recrystallization technique was used to prepare ε-CL-20 with three [...] Read more.
As a typical high-energy-density material, the sensitivity of CL-20 severely limits its application in explosives and propellants. Adjusting its structure at the microscopic level can effectively solve such problems. In this study, a microfluidic recrystallization technique was used to prepare ε-CL-20 with three different particle sizes, with narrow particle size distributions (D50 = 2.77 μm, 17.22 μm and 50.35 μm). The prepared samples had fewer surface defects compared to the raw material. As the particle size decreased, the density of CL-20 increased and its impact sensitivity was significantly reduced. The activation energy of the CL-20 prepared using microfluidic technology increased with increases in particle size. Laser ignition experiments revealed that smaller CL-20 particles had the highest energy release efficiency, while larger particles exhibited a higher energy density and more stable energy release. The combustion performance and safety of CL-20 can be effectively improved by improving the crystal size distribution and surface morphology. Controllable preparation of multiple particle sizes of CL-20 was achieved using microfluidic recrystallization technology, which provides a reference for the preparation of multiple particle sizes of other energetic materials. Full article
(This article belongs to the Section Materials Chemistry)
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17 pages, 2564 KiB  
Article
Comparative Analysis of Amorphous and Biodegradable Copolymers: A Molecular Dynamics Study Using a Multi-Technique Approach
by Alovidin Nazirov, Jacek Klinowski and John Nobleman
Molecules 2025, 30(5), 1175; https://doi.org/10.3390/molecules30051175 - 6 Mar 2025
Viewed by 561
Abstract
We investigate the molecular dynamics of glycolide/lactide/caprolactone (Gly/Lac/Cap) copolymers using differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), 1H second-moment, 1H spin-lattice relaxation time (T1) analysis, and 13C solid-state NMR over a temperature range of 100–413 K. [...] Read more.
We investigate the molecular dynamics of glycolide/lactide/caprolactone (Gly/Lac/Cap) copolymers using differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), 1H second-moment, 1H spin-lattice relaxation time (T1) analysis, and 13C solid-state NMR over a temperature range of 100–413 K. Activation energies and correlation times of the biopolymer chains were determined. At low temperatures, relaxation is governed by the anisotropic threefold reorientation of methyl (-CH3) groups in lactide. A notable change in T1 at ~270 K and 294 K suggests a transition in amorphous phase mobility due to translational diffusion, while a second relaxation minimum (222–312 K) is linked to CH2 group dynamics influenced by caprolactone. The activation energy increases from 5.9 kJ/mol (methyl motion) to 22–33 kJ/mol (segmental motion) as the caprolactone content rises, enhancing the molecular mobility. Conversely, lactide restricts motion by limiting rotational freedom, thereby slowing global dynamics. DSC confirms that increasing ε-caprolactone lowers the glass transition temperature, whereas higher glycolide and lactide content raises it. The onset temperature of main-chain molecular motion varies with the composition, with greater ε-caprolactone content enhancing flexibility. These findings highlight the role of composition in tuning relaxation behavior and molecular mobility in copolymers. Full article
(This article belongs to the Special Issue Between Solid-State NMR and Nanoscience—a Long Journey with Great Perspectives: A Themed Issue in Honor of Professor Jacek Klinowski)
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3 pages, 3551 KiB  
Correction
Correction: Li et al. Extraction of Polysaccharides from Root of Pseudostellaria heterophylla (Miq.) Pax. and the Effects of Ultrasound Treatment on Its Properties and Antioxidant and Immune Activities. Molecules 2024, 29, 142
by Hangyu Li, Ziwei Liu, Qianqian Liu, Xinnan Zhang, Sheng Li, Feng Tang, Linzi Zhang, Qian Yang, Qiran Wang, Shuyao Yang, Ling Huang, Yuwei Ba, Xihui Du, Falong Yang and Haibo Feng
Molecules 2025, 30(5), 1174; https://doi.org/10.3390/molecules30051174 - 6 Mar 2025
Viewed by 278
Abstract
Errors in Figure [...] Full article
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25 pages, 11548 KiB  
Article
The Effects of Sika Deer Antler Peptides on 3T3-L1 Preadipocytes and C57BL/6 Mice via Activating AMPK Signaling and Gut Microbiota
by Tong Sun, Zezhuang Hao, Fanying Meng, Xue Li, Yihua Wang, Haowen Zhu, Yong Li and Yuling Ding
Molecules 2025, 30(5), 1173; https://doi.org/10.3390/molecules30051173 - 6 Mar 2025
Viewed by 640
Abstract
(1) Background: To explore the anti-obesity effects and mechanisms of sika deer velvet antler peptides (sVAP) on 3T3-L1 preadipocytes and in high-fat diet (HFD)-induced obese mice. (2) Methods: sVAP fractions of different molecular weights were obtained via enzymatic hydrolysis and ultrafiltration. Their anti-lipid [...] Read more.
(1) Background: To explore the anti-obesity effects and mechanisms of sika deer velvet antler peptides (sVAP) on 3T3-L1 preadipocytes and in high-fat diet (HFD)-induced obese mice. (2) Methods: sVAP fractions of different molecular weights were obtained via enzymatic hydrolysis and ultrafiltration. Their anti-lipid effects on 3T3-L1 cells were assessed with Oil Red O staining. The optimal fraction was tested in HFD-induced obese C57BL/6 mice to explore anti-obesity mechanisms. Peptide purification used LC-MS/MS, followed by sequence analysis and molecular docking for activity prediction. (3) Results: The peptide with the best anti-obesity activity was identified as sVAP-3K (≤3 kDa). sVAP-3K reduced lipid content and proliferation in 3T3-L1 cells, improved lipid profiles and ameliorated adipocyte degeneration in HFD mice, promoted the growth of beneficial gut microbiota, and maintained lipid metabolism. Additionally, sVAP-3K activated the AMP-activated protein kinase (AMPK) signaling pathway, regulating adipogenic transcription factors. sVAP-3K exhibited ten major components (peak area ≥ 1.03 × 108), with four of the most active components being newly discovered natural oligopeptides: RVDPVNFKL (m/z 363.21371), GGEFTPVLQ (m/z 474.24643), VDPENFRL (m/z 495.25735), and VDPVNFK (m/z 818.44043). (4) Conclusion: This study identifies four novel oligopeptides in sVAP-3K as key components for anti-obesity effects, offering new evidence for developing natural weight-loss drugs from sika deer velvet. Full article
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22 pages, 12118 KiB  
Article
Modern Comprehensive Metabolomic Profiling of Pollen Using Various Analytical Techniques
by Petra Krejčí, Zbyněk Žingor, Jana Balarynová, Andrea Čevelová, Matěj Tesárek, Petr Smýkal and Petr Bednář
Molecules 2025, 30(5), 1172; https://doi.org/10.3390/molecules30051172 - 5 Mar 2025
Viewed by 536
Abstract
Pollen is a cornerstone of life for plants. Its durability, adaptability, and complex design are the key factors to successful plant reproduction, genetic diversity, and the maintenance of ecosystems. A detailed study of its chemical composition is important to understand the mechanism of [...] Read more.
Pollen is a cornerstone of life for plants. Its durability, adaptability, and complex design are the key factors to successful plant reproduction, genetic diversity, and the maintenance of ecosystems. A detailed study of its chemical composition is important to understand the mechanism of pollen–pollinator interactions, pollination processes, and allergic reactions. In this study, a multimodal approach involving Fourier transform infrared spectrometry (FTIR), direct mass spectrometry with an atmospheric solids analysis probe (ASAP), matrix-assisted laser desorption/ionization (MALDI) and ultra-high-performance liquid chromatography–mass spectrometry (UHPLC-MS) was applied for metabolite profiling. ATR-FTIR provided an initial overview of the present metabolite classes. Phenylpropanoid, lipidic, and carbohydrate structures were revealed. The hydrophobic outer layer of pollen was characterized in detail by ASAP-MS profiling, and esters, phytosterols, and terpenoids were observed. Diacyl- and triacylglycerols and carbohydrate structures were identified in MALDI-MS spectra. The MALDI-MS imaging of lipids proved to be helpful during the microscopic characterization of pollen species in their mixture. Polyphenol profiling and the quantification of important secondary metabolites were performed by UHPLC-MS in context with pollen coloration and their antioxidant and antimicrobial properties. The obtained results revealed significant chemical differences among Magnoliophyta and Pinophyta pollen. Additionally, some variations within Magnoliophyta species were observed. The obtained metabolomics data were utilized for pollen differentiation at the taxonomic scale and provided valuable information in relation to pollen interactions during reproduction and its related applications. Full article
(This article belongs to the Special Issue Applied Analytical Chemistry: Second Edition)
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15 pages, 7435 KiB  
Article
Solvent Regulation in Layered Zn-MOFs for C2H2/CO2 and CO2/CH4 Separation
by Xingyao Zhao, Xiaotong Chang, Caixian Qin, Xiaokang Wang, Mingming Xu, Weidong Fan, Qingguo Meng and Daofeng Sun
Molecules 2025, 30(5), 1171; https://doi.org/10.3390/molecules30051171 - 5 Mar 2025
Viewed by 550
Abstract
The development of alternative adsorptive separation technologies is extremely significant for the separation of C2H2/CO2 and CO2/CH4 in the chemical industry. Emerging metal–organic frameworks (MOFs) have shown great potential as adsorbents for gas adsorption and [...] Read more.
The development of alternative adsorptive separation technologies is extremely significant for the separation of C2H2/CO2 and CO2/CH4 in the chemical industry. Emerging metal–organic frameworks (MOFs) have shown great potential as adsorbents for gas adsorption and separation. Herein, we synthesized two layered Zn-MOFs, UPC-96 and UPC-97, with 1,2,4,5-tetrakis(4-carboxyphenyl)-3,6-dimethylbenzene (TCPB-Me) as a ligand via the solvent regulation of the pH values. UPC-96 with a completely deprotonated ligand was obtained without the addition of acid, exhibiting two different channels with cross-sectional sizes of 11.6 × 7.1 and 8.3 × 5.2 Å2. In contrast, the addition of acid led to the partial deprotonation of the ligand and afforded UPC-97 two types of channels with cross-sectional sizes of 11.5 × 5.7 and 7.4 × 3.9 Å2. Reversible N2 adsorption isotherms at 77 K confirmed their permanent porosity, and the differentiated single-component C2H2, CO2, and CH4 adsorption isotherms indicated their potential in C2H2/CO2 and CO2/CH4 separation. Full article
(This article belongs to the Special Issue Multifunctional Crystalline Porous Materials: Design, Synthesis and Applications)
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12 pages, 1899 KiB  
Article
Improving Bitumen Properties with Chitosan: A Sustainable Approach to Road Construction
by Paolino Caputo, Cesare Oliviero Rossi, Pietro Calandra, Debora Policastro, Eugenia Giorno, Nicolas Godbert and Iolinda Aiello
Molecules 2025, 30(5), 1170; https://doi.org/10.3390/molecules30051170 - 5 Mar 2025
Viewed by 624
Abstract
This research explores the utilization of chitosan, a naturally derived biopolymer, as an innovative additive in bitumen for road construction. The experimental procedure for incorporating chitosan into bitumen, in agreement with its thermal stability, is described. Four different types of chitosan (two different [...] Read more.
This research explores the utilization of chitosan, a naturally derived biopolymer, as an innovative additive in bitumen for road construction. The experimental procedure for incorporating chitosan into bitumen, in agreement with its thermal stability, is described. Four different types of chitosan (two different degrees of deacetylation: >75 and >90% in free amine groups; molecular weight ranging from 100 to 800 kD) have been considered. Each chitosan was added to a bitumen at 1, 3, 6 wt%, and the mechanical characteristics were tested by dynamic shear rheology with the aim of testing the thermal stability of modified bitumen. An increase in the gel-to-sol temperature transition was generally found in the presence of chitosan, suggesting enhanced resistance to deformation under traffic loads. The most marked effect was obtained for chitosan with a molecular weight of 310,000–375,000 kD and with a deacetylation degree ≥75% (free amine groups). In addition, it was found that chitosan can slow down the oxidative aging of bitumen, especially when chitosan with high molecular weight (600,000–800,000 kD) and with a deacetylation degree >90% (free amine groups) was used. This further finding suggests that chitosan can potentially extend the final road pavement life. Full article
(This article belongs to the Special Issue Molecular Self-Assembly in Interfacial Chemistry)
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17 pages, 2999 KiB  
Article
Spectroscopic Characterization Using 1H and 13C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose
by Nikoletta Zoupanou, Paraskevi Papakyriakopoulou, Nikitas Georgiou, Antigoni Cheilari, Uroš Javornik, Peter Podbevsek, Demeter Tzeli, Georgia Valsami and Thomas Mavromoustakos
Molecules 2025, 30(5), 1169; https://doi.org/10.3390/molecules30051169 - 5 Mar 2025
Viewed by 540
Abstract
Donepezil (DH), a selective acetylcholinesterase inhibitor, is widely used to manage symptoms of mild to moderate Alzheimer’s disease by enhancing cholinergic neurotransmission and preventing acetylcholine breakdown. Despite the effectiveness of oral formulations, extensive hepatic metabolism and low systemic bioavailability have driven the search [...] Read more.
Donepezil (DH), a selective acetylcholinesterase inhibitor, is widely used to manage symptoms of mild to moderate Alzheimer’s disease by enhancing cholinergic neurotransmission and preventing acetylcholine breakdown. Despite the effectiveness of oral formulations, extensive hepatic metabolism and low systemic bioavailability have driven the search for alternative delivery systems. This study focuses on nasal delivery as a non-parenteral substitute, utilizing hydroxypropyl methylcellulose (HPMC) for its mucoadhesive properties and methyl-β-cyclodextrin (Me-β-CD) for its ability to enhance permeability and form inclusion complexes with drugs. Prior studies demonstrated the potential of HPMC-based nasal films for nose-to-brain delivery of donepezil and highlighted Me-β-CD’s role in improving drug solubility. Building on this, transparent gel formulations containing DH, HPMC, and 2,6 Me-β-CD were developed to investigate molecular interactions within two- and three-component systems. This study utilized a combination of nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) to provide detailed insights into the interactions between DH, 2,6-Me-β-CD, and HPMC. The findings provide critical insights into drug–excipient interactions, aiding the optimization of stability, solubility, and controlled release. This advances the rational design of nanotechnology-based drug delivery systems for enhanced therapeutic efficacy. Full article
(This article belongs to the Special Issue Unlocking the Formulation Potential of Cyclodextrins and Their Derivatives—2nd Edition)
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14 pages, 2275 KiB  
Article
The Ligand Binding Domain of the Cell Wall Protein SraP Modulates Macrophage Apoptosis and Inflammatory Responses in Staphylococcus aureus Infections
by He Sun, Robert W. Li, Thomas T. Y. Wang and Lin Ding
Molecules 2025, 30(5), 1168; https://doi.org/10.3390/molecules30051168 - 5 Mar 2025
Viewed by 506
Abstract
The Staphylococcus aureus cell wall protein serine rich adhesin for platelets (SraP) belongs to a large surface glycoprotein family of adhesins. Here, we provide experimental evidence that SraP mediates macrophage functions in a human monocyte-derived macrophage model via its N-terminal L-lectin module (LLM) [...] Read more.
The Staphylococcus aureus cell wall protein serine rich adhesin for platelets (SraP) belongs to a large surface glycoprotein family of adhesins. Here, we provide experimental evidence that SraP mediates macrophage functions in a human monocyte-derived macrophage model via its N-terminal L-lectin module (LLM) in the ligand binding region. Our flow cytometry data demonstrated that macrophages infected by the LLM deletion strain profoundly impacted apoptosis, reducing the percentage of apoptotic cells by approximately 50%, whereas LLM overexpression significantly increased the percentage of early-stage apoptotic cells (p < 0.001). LLM deletion significantly enhanced phagocytosis by macrophages by increasing the number of engulfed bacteria, resulting in a significant increase in bacterial killing and leading to a notable decrease in bacterial survival within macrophages (p < 0.001). Furthermore, LLM modulated the ability of S. aureus to elicit inflammatory responses. The LLM deletion strain dampened the expression of proinflammatory factors but increased the expression of anti-inflammatory cytokines, such as IL10. Our evidence suggests that SraP likely plays a dual role in S. aureus pathogenesis, by acting as a virulence factor involved in bacterial adhesion and invasion and by mediating macrophage functions. Our future work will focus on the identification of small molecule inhibitors of LLM using molecular docking-based in silico screening and in vivo validation. Developing LLM inhibitors, alone or in combination with conventional antibiotics, may represent a novel strategy for combating S. aureus infections. Full article
(This article belongs to the Special Issue NUCLEO-OMICS24)
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14 pages, 3801 KiB  
Article
Hydrochar from Agricultural Waste as a Biobased Support Matrix Enhances the Bacterial Degradation of Diethyl Phthalate
by Emanuel Gheorghita Armanu, Simone Bertoldi, Matthias Schmidt, Hermann J. Heipieper, Irina Volf and Christian Eberlein
Molecules 2025, 30(5), 1167; https://doi.org/10.3390/molecules30051167 - 5 Mar 2025
Cited by 1 | Viewed by 2671
Abstract
The hydrothermal carbonization (HTC) of biomass presents a sustainable approach for waste management and production of value-added materials such as hydrochar, which holds promise as an adsorbent and support matrix for bacterial immobilization applied, e.g., for bioremediation processes of sites contaminated with phthalate [...] Read more.
The hydrothermal carbonization (HTC) of biomass presents a sustainable approach for waste management and production of value-added materials such as hydrochar, which holds promise as an adsorbent and support matrix for bacterial immobilization applied, e.g., for bioremediation processes of sites contaminated with phthalate ester plasticizers such as diethyl phthalate (DEP). In the present study, hydrochar was synthesized from vine shoots (VSs) biomass employing the following parameters during the HTC process: 260 °C for 30 min with a 1:10 (w/v) biomass-to-water ratio. The resulting vine shoots hydrochar (VSs-HC) was characterized for porosity, elemental composition, and structural properties using Scanning Electron Microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDX), and Raman spectroscopy. Elemental analysis confirmed the presence of key elements in the VSs structure, elements essential for char formation during the HTC process. The VSs-HC exhibited a macroporous structure (>0.5 μm), facilitating diethyl phthalate (DEP) adsorption, bacterial adhesion, and biofilm formation. Adsorption studies showed that the VSs-HC achieved a 90% removal rate for 4 mM DEP within the first hour of contact. Furthermore, VS-HC was tested as a support matrix for a bacterial consortium (Pseudomonas spp. and Microbacterium sp.) known to degrade DEP. The immobilized bacterial consortium on VSs-HC demonstrated enhanced tolerance to DEP toxicity, degrading 76% of 8 mM DEP within 24 h, compared with 14% by planktonic cultures. This study highlights VSs-HC’s potential as a sustainable and cost-effective material for environmental bioremediation, offering enhanced bacterial cell viability, improved biofilm formation, and efficient plasticizer removal. These findings provide a pathway for mitigating environmental pollution through scalable and low-cost solutions. Full article
(This article belongs to the Special Issue Advances in Polymer Materials Based on Lignocellulosic Biomass)
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12 pages, 2340 KiB  
Article
Fullerene-Passivated Methylammonium Lead Iodide Perovskite Absorber for High-Performance Self-Powered Photodetectors with Ultrafast Response and Broadband Detectivity
by Lakshmi Praba, Yoseob Chung, Dong Ho Han and Jae Woong Jung
Molecules 2025, 30(5), 1166; https://doi.org/10.3390/molecules30051166 - 5 Mar 2025
Viewed by 400
Abstract
We herein report the enhanced electrical properties of self-powered perovskite-based photodetectors with high sensitivity and responsivity by applying the surface passivation strategy using C60 (fullerene) as a surface passivating agent. The perovskite (CH3NH3PbI3) thin film passivated [...] Read more.
We herein report the enhanced electrical properties of self-powered perovskite-based photodetectors with high sensitivity and responsivity by applying the surface passivation strategy using C60 (fullerene) as a surface passivating agent. The perovskite (CH3NH3PbI3) thin film passivated with fullerene achieves a highly uniform and compact surface, showing reduced leakage current and higher photon-to-current conversion capability. As a result, the improved film quality of the perovskite layer allows excellent photon-detecting properties, including high values of external quantum efficiency (>95%), responsivity (>5 A W−1), and specific detectivity (>1013 Jones) at zero bias voltage, which surpasses those of the pristine perovskite-based device. Furthermore, the passivated device showed fast rise (0.18 μs) and decay times (17 μs), demonstrating high performance and ultrafast light-detecting capability of the self-powered perovskite-based photodetectors. Full article
(This article belongs to the Section Materials Chemistry)
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15 pages, 1926 KiB  
Article
Pyridoxal and Salicylaldehyde Derivatives: Synthesis, Characterization, and Antifungal Potential Against Opportunistic Yeast Pathogens
by Jairo Camacho, Carlos A. Bejarano, John E. Diaz, Yerly Vargas-Casanova, Silvia Katherine Carvajal, Valentina Diaz Santoyo, Claudia M. Parra-Giraldo and Alix E. Loaiza
Molecules 2025, 30(5), 1165; https://doi.org/10.3390/molecules30051165 - 5 Mar 2025
Viewed by 622
Abstract
This study reports the synthesis, characterization, and antifungal evaluation of a series of pyridoxal and salicylaldehyde derivatives, using synthetic methodologies such as radical cyclizations and click chemistry. Compounds 6a and 6b, featuring a fused dihydrobenzoxepine-pyridine scaffold, demonstrated effective fungicidal activity with MIC [...] Read more.
This study reports the synthesis, characterization, and antifungal evaluation of a series of pyridoxal and salicylaldehyde derivatives, using synthetic methodologies such as radical cyclizations and click chemistry. Compounds 6a and 6b, featuring a fused dihydrobenzoxepine-pyridine scaffold, demonstrated effective fungicidal activity with MIC values of 19 µg/mL against Cryptococcus neoformans 2807. Similarly, compound 6b exhibited notable activity with a MIC of 75 µg/mL against Candida auris PUJ-HUSI 537. Both compounds outperformed fluconazole (FLC) in these strains. In silico ADMET profiling revealed favorable pharmacokinetic properties, including blood–brain barrier penetration and drug-likeness parameters consistent with Lipinski’s rule of five. Cytotoxicity assays on human fibroblasts confirmed the low toxicity of compound 6a at the tested concentrations. These results highlight the potential of the fused dihydrobenzoxepine-pyridine scaffold as a promising antifungal candidate for further investigations. Full article
(This article belongs to the Special Issue Cyclization Reactions in the Synthesis of Heterocyclic Compounds)
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19 pages, 6775 KiB  
Article
Ovalbumin-Mediated Biogenic Synthesis of ZnO and MgO Nanostructures: A Path Toward Green Nanotechnology
by Adriana-Gabriela Schiopu, Elena Andreea Vijan, Ecaterina Magdalena Modan, Sorin Georgian Moga, Denis Aurelian Negrea, Daniela Istrate, Georgiana Cîrstea, Mihai Oproescu and Şaban Hakan Atapek
Molecules 2025, 30(5), 1164; https://doi.org/10.3390/molecules30051164 - 5 Mar 2025
Viewed by 604
Abstract
Sustainable and eco-friendly synthesis methods for nanoparticles are crucial for advancing green nanotechnology. This study presents the biogenic synthesis of zinc oxide (ZnO) and magnesium oxide (MgO) nanoparticles using ovalbumin, an abundant and non-toxic protein from egg white. The synthesis process was optimized [...] Read more.
Sustainable and eco-friendly synthesis methods for nanoparticles are crucial for advancing green nanotechnology. This study presents the biogenic synthesis of zinc oxide (ZnO) and magnesium oxide (MgO) nanoparticles using ovalbumin, an abundant and non-toxic protein from egg white. The synthesis process was optimized by varying metal ion concentrations to control particle size and morphology. Characterization using ATR-FTIR, XRD, SEM, and UV-VIS confirmed the successful formation of uniform, well-crystallized nanoparticles with sizes ranging from 7.9 to 13.5 nm. ZnO nanoparticles exhibited superior antimicrobial efficacy against Escherichia coli and Enterococcus faecalis, while MgO nanoparticles showed enhanced potential environmental remediation. These findings highlight ovalbumin as a versatile agent for the green synthesis of ZnO and MgO nanomaterials, with promising applications in the medical, environmental, and optoelectronic fields. The results indicate that this biogenic method can serve as a sustainable proposal to produce nanostructured materials with diverse applications in the medical and environmental fields, such as eliminating pathogenic bacteria and purifying contaminated environments. Overall, this study significantly contributes to the development of sustainable nanomaterials and opens up new perspectives on the use of ovalbumin protein in the synthesis of multifunctional nanostructured materials. Full article
(This article belongs to the Special Issue Nanostructured Materials: Synthesis, Functionalization and Applications in Biomedicine—2nd Edition)
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21 pages, 7127 KiB  
Article
Research on the Evolution Characteristics and Influencing Factors of Foamy Oil Bubbles in Porous Media
by Moxi Zhang, Xinglong Chen and Weifeng Lyu
Molecules 2025, 30(5), 1163; https://doi.org/10.3390/molecules30051163 - 5 Mar 2025
Viewed by 458
Abstract
This study systematically investigates the formation mechanism and development characteristics of the “foamy oil” phenomenon during pressure depletion development of high-viscosity crude oil through a combination of physical experiments and numerical simulations. Using Venezuelan foamy oil as the research subject, an innovative heterogeneous [...] Read more.
This study systematically investigates the formation mechanism and development characteristics of the “foamy oil” phenomenon during pressure depletion development of high-viscosity crude oil through a combination of physical experiments and numerical simulations. Using Venezuelan foamy oil as the research subject, an innovative heterogeneous pore-etched glass model was constructed to simulate the pressure depletion process, revealing for the first time that bubble growth predominantly occurs during the migration stage. Experimental results demonstrate that heavy components significantly delay degassing by stabilizing gas–liquid interfaces, while the continuous gas–liquid diffusion effect explains the unique development characteristics of foamy oil—high oil recovery and delayed phase transition—from a microscopic perspective. A multi-scale coupling analysis method was established: molecular-scale simulations were employed to model component diffusion behavior. By improving the traditional Volume of Fluid (VOF) method and introducing diffusion coefficients, a synergistic model integrating a single momentum equation and fluid volume fraction was developed to quantitatively characterize the dynamic evolution of bubbles. Simulation results indicate significant differences in dominant controlling factors: oil phase viscosity has the greatest influence (accounting for ~50%), followed by gas component content (~35%), and interfacial tension the least (~15%). Based on multi-factor coupling analysis, an empirical formula for bubble growth incorporating diffusion coefficients was proposed, elucidating the intrinsic mechanism by which heavy components induce unique development effects through interfacial stabilization, viscous inhibition, and dynamic diffusion. This research breaks through the limitations of traditional production dynamic analysis, establishing a theoretical model for foamy oil development from the perspective of molecular-phase behavior combined with flow characteristics. It not only provides a rational explanation for the “high oil production, low gas production” phenomenon but also offers theoretical support for optimizing extraction processes (e.g., gas component regulation, viscosity control) through quantified parameter weightings. The findings hold significant scientific value for advancing heavy oil recovery theory and guiding efficient foamy oil development. Future work will extend to studying multiphase flow coupling mechanisms in porous media, laying a theoretical foundation for intelligent control technology development. Full article
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14 pages, 8075 KiB  
Article
Highly Efficient and Stable Mn-Co1.29Ni1.71O4 Electrocatalysts for Alkaline Water Electrolysis: Atomic Doping Strategy for Enhanced OER and HER Performance
by Yijia Cheng, Xingyan Guo, Zhizheng Ma, Kehan Dong, Lihua Miao and Shuai Du
Molecules 2025, 30(5), 1162; https://doi.org/10.3390/molecules30051162 - 5 Mar 2025
Viewed by 623
Abstract
Water electrolysis for hydrogen production has garnered significant attention due to its advantages of high efficiency, environmental friendliness, and abundant resources. Developing cost-effective, efficient, and stable materials for water electrolysis is therefore crucial. In this work, we synthesized a series of highly efficient [...] Read more.
Water electrolysis for hydrogen production has garnered significant attention due to its advantages of high efficiency, environmental friendliness, and abundant resources. Developing cost-effective, efficient, and stable materials for water electrolysis is therefore crucial. In this work, we synthesized a series of highly efficient multifunctional Mn-Co1.29Ni1.71O4 electrocatalysts through an atomic doping strategy for alkaline electrocatalysts. The unique structure features and large specific surface area of these catalysts provide abundant active sites. The Mn-Co1.29Ni1.71O4 catalysts exhibit an excellent oxygen evolution reaction (OER) performance in 1.0 M KOH electrolyte, with an overpotential of 334.3 mV at a current density of 10 mA cm−2 and 373.3 mV at 30 mA cm−2. Additionally, the catalysts also demonstrate a Tafel slope of 76.7 mV dec−1 and outstanding durability. As hydrogen evolution reaction (HER) electrocatalysts, it shows an overpotential of 203.5 mV at −10 mA cm−2 and a Tafel slope of 113.6 mV dec−1. When the catalysts can be utilized for the overall water splitting, the catalyst requires a decomposition voltage of 1.96 V at 50 mA cm−2. These results indicate that the high catalytic activity and stability of Mn-Co1.29Ni1.71O4 samples make it a highly promising candidate for industrial-scale applications. Full article
(This article belongs to the Special Issue Battery Chemistry: Recent Advances and Future Opportunities, the Second Edition)
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17 pages, 3763 KiB  
Article
Oxidation of Soot by Cerium Dioxide Synthesized Under Different Hydrothermal Conditions
by Jia Fang, Kejian Wang, Peng Chen, Xilong Xu, Chengzhuang Zhang, Yi Wu, Yan Yan and Zinong Zuo
Molecules 2025, 30(5), 1161; https://doi.org/10.3390/molecules30051161 - 4 Mar 2025
Viewed by 494
Abstract
In this study, a series of cerium dioxide catalysts with varying hydrothermal temperatures and times were synthesized using the hydrothermal method, without the use of templates. The impact of varying hydrothermal conditions on the activity of cerium dioxide catalysts was investigated through experiments [...] Read more.
In this study, a series of cerium dioxide catalysts with varying hydrothermal temperatures and times were synthesized using the hydrothermal method, without the use of templates. The impact of varying hydrothermal conditions on the activity of cerium dioxide catalysts was investigated through experiments to examine their oxidation characteristics in soot combustion. Among the conditions tested, the hydrothermal conditions of 140 °C and 6 h yielded the most optimal catalytic oxidation of soot, with a combustion characteristic temperature (Tp) of 552 °C and a reduction of 122.9 °C. The integrated combustion index (S) and combustion stability coefficient (Rw) were found to be 27.97 × 108 %2min−2°C−3 and 90.76 × 105, respectively. The indices of S and Rw exhibited an improvement of 51.1% and 36.93%, respectively. Full article
(This article belongs to the Special Issue Environmental Analysis of Organic Pollutants, 2nd Edition)
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16 pages, 6683 KiB  
Article
Enhancing the Thermostability of Bacillus licheniformis Alkaline Protease 2709 by Computation-Based Rational Design
by Yuan Yuan, Guowei Zhao, Jing Lu, Lei Wang, Yawei Shi and Jian Zhang
Molecules 2025, 30(5), 1160; https://doi.org/10.3390/molecules30051160 - 4 Mar 2025
Viewed by 628
Abstract
The alkaline protease from Bacillus licheniformis strain 2709 (AprE 2709) is widely used in Chinese industries but faces stability challenges under high-temperature conditions. This study employed molecular modeling and mutagenesis to identify Asn residues at positions 61, 160, and 211 as key sites [...] Read more.
The alkaline protease from Bacillus licheniformis strain 2709 (AprE 2709) is widely used in Chinese industries but faces stability challenges under high-temperature conditions. This study employed molecular modeling and mutagenesis to identify Asn residues at positions 61, 160, and 211 as key sites affecting the stability of AprE 2709. By leveraging the additive and cooperative effects of mutations, the mutant enzyme AprE 2709 (N61G/N160G/N211G) was engineered, exhibiting enhanced thermostability and catalytic activity. The mutant demonstrated a 2.89-fold increase in half-life at 60 °C and a 1.56-fold improvement in catalytic efficiency compared to the wild-type enzyme. Structural analysis revealed that the improved thermostability was due to altered electrostatic interactions and strengthened hydrophobic contacts. Targeting Asn residues prone to deamidation presents a promising strategy for improving protein heat tolerance. These findings not only enhance our understanding of enzyme stability but also lay a foundation for future research aimed at optimizing alkaline proteases for diverse industrial applications, particularly in high-temperature processes. Full article
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