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Molecules, Volume 30, Issue 17 (September-1 2025) – 30 articles

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40 pages, 470 KiB  
Review
Biologics as Therapeutical Agents Under Perspective Clinical Studies for Alzheimer’s Disease
by Huan Li, Xinai Shen, Beiyu Zhang and Zheying Zhu
Molecules 2025, 30(17), 3479; https://doi.org/10.3390/molecules30173479 (registering DOI) - 24 Aug 2025
Abstract
Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterised by cognitive decline, synaptic loss, and multifaceted pathology involving amyloid-β (Aβ) aggregation, tau hyperphosphorylation, neuroinflammation, and impaired proteostasis. In recent years, biologic therapies, such as monoclonal antibodies, vaccines, antisense oligonucleotides (ASOs), and gene therapies, [...] Read more.
Alzheimer’s disease (AD) is a progressive neurodegenerative disorder characterised by cognitive decline, synaptic loss, and multifaceted pathology involving amyloid-β (Aβ) aggregation, tau hyperphosphorylation, neuroinflammation, and impaired proteostasis. In recent years, biologic therapies, such as monoclonal antibodies, vaccines, antisense oligonucleotides (ASOs), and gene therapies, have gained prominence as promising disease-modifying strategies. In this review, we provide a comprehensive synthesis of current biologic approaches under clinical evaluation for AD. Drawing on data curated from ClinicalTrials.gov (as of 2025), we systematically summarise the molecular targets, therapeutic modalities, mechanisms of action, trial phases, and sponsors of over 60 biologic agents. These include Aβ-directed antibodies targeting distinct conformers such as protofibrils, pyroglutamate-modified species, and soluble oligomers; tau-targeted immunotherapies and RNA-based interventions; and emerging platforms focused on neuroimmune modulation, peptide hormones, and microbiota-based strategies. Gene and RNA therapeutics, particularly ASOs and small interfering RNAs (siRNAs) delivered intrathecally or via lipid nanoparticles, are also reviewed for their potential to modulate intracellular targets with high specificity. We also analyse the historical landscape of biologic candidates that failed to reach approval, discussing key reasons for trial discontinuation, including lack of clinical efficacy, safety concerns (e.g., amyloid-related imaging abnormalities), or inadequate biomarker responses. These cases offer crucial insights for refining future drug design. Looking ahead, we highlight major challenges and evolving perspectives in AD biologic therapy: expanding therapeutic targets beyond Aβ and tau, overcoming delivery barriers to the brain, designing prevention-oriented and genetically stratified trials, and navigating regulatory and ethical considerations. Together, these efforts signal a paradigm shift in AD drug development, from symptomatic treatment to mechanism-based precision biologics. By integrating real-time clinical trial data with mechanistic insight, this review aims to inform both translational research and therapeutic innovation in AD. Full article
(This article belongs to the Special Issue Therapeutic Agents for Neurodegenerative Disorders—2nd Edition)
19 pages, 5339 KiB  
Article
Application of a Pickering Emulsion Stabilized by Zein and Cellulose Nanocrystalline Composite Particles to Preserve Kiwifruit
by Yiping Liu, Weixiang Qiu, Yalan Mo, Jing Tian, Muxiang Liao, Binghong Jia, Qian Zhou, Feichi Liu and Xiaogang Li
Molecules 2025, 30(17), 3478; https://doi.org/10.3390/molecules30173478 (registering DOI) - 24 Aug 2025
Abstract
This study involved developing a Pickering emulsion system based on a composite material comprising zein colloidal particles (ZCPs) and cellulose nanocrystals (CNCs) with the aim of exploring its potential application in fruit preservation by loading carvacrol (CAR). The system (CAR@ZCPE) consists of ZCP [...] Read more.
This study involved developing a Pickering emulsion system based on a composite material comprising zein colloidal particles (ZCPs) and cellulose nanocrystals (CNCs) with the aim of exploring its potential application in fruit preservation by loading carvacrol (CAR). The system (CAR@ZCPE) consists of ZCP particles with an average size of approximately 317 nm in a composite with CNC particles of approximately 85 nm at an optimal mass ratio (ZCP/CNC = 1:3) to form stable particles encapsulating CAR. The results indicate that CAR@ZCPE is an O/W Pickering emulsion that can be diluted indefinitely in water and exhibits excellent environmental stability. Rheological analysis revealed that it exhibits shear-thinning properties and a gel-like network structure, which explains its good stability. Bioactivity evaluation revealed that CAR@ZCPE exhibited inhibitory activity against Botryosphaeria dothidea, with an inhibition rate of 63.60% at a concentration of 50 mg/L. Kiwifruit preservation experiments confirmed that CAR@ZCPE significantly reduced the degree of kiwifruit decay, and cell activity evaluations confirmed its biosafety. The total apoptotic rate of LO2 cells was 2.10%, indicating that the emulsion did not affect the cell growth cycle. This study successfully developed a CAR Pickering emulsion stabilized by ZCP-CNC composite particles. This emulsion system combines high stability, excellent antibacterial activity, and excellent biocompatibility. Kiwifruit preservation experiments validated its potential as a safe and efficient new preservative, providing an innovative method for preserving fruits using ZCP-CNC-composite-stabilized Pickering emulsions. Full article
(This article belongs to the Special Issue Design and Application Based on Versatile Nano-Composites: Second Edition)
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17 pages, 2063 KiB  
Article
Comprehensive UPLC-MS/MS Method for Quantifying Four Key Intestinal Permeability Markers in Caco-2 Models
by Luciana Silva de Araújo, Eduardo José Crevelin, Luiz Alberto Beraldo de Moraes and Niege Araçari Jacometti Cardoso Furtado
Molecules 2025, 30(17), 3477; https://doi.org/10.3390/molecules30173477 (registering DOI) - 24 Aug 2025
Abstract
A comprehensive UPLC-MS/MS method was developed and validated for the simultaneous separation and quantification of atenolol, propranolol, quinidine, and verapamil, using established intestinal permeability standards in the Caco-2 cell monolayer model. This in vitro model is widely accepted for predicting intestinal drug permeability [...] Read more.
A comprehensive UPLC-MS/MS method was developed and validated for the simultaneous separation and quantification of atenolol, propranolol, quinidine, and verapamil, using established intestinal permeability standards in the Caco-2 cell monolayer model. This in vitro model is widely accepted for predicting intestinal drug permeability and is formally recognized by global regulatory agencies, including the FDA, EMA, and WHO, as a surrogate for assessing drug permeability in biowaiver applications under the Biopharmaceutics Classification System (BCS) framework. Despite its regulatory importance, standardized methods for the simultaneous quantification of key permeability markers remain scarce. The selected compounds represent distinct transport pathways: paracellular (atenolol), passive transcellular (propranolol, verapamil), and P-glycoprotein-mediated efflux (quinidine). Method validation followed FDA guidelines and demonstrated high selectivity, linearity (r2 > 0.998), precision, and accuracy. Solid-phase extraction enhanced recovery and reduced matrix effects. Application to Caco-2 permeability assays confirmed expected transport profiles, including P-gp inhibition effects with verapamil. By integrating multiple analytes in a single workflow, the method improves analytical throughput, supports mechanistic interpretation, and ensures consistency across assays. This advanced separation strategy, combined with sensitive mass spectrometric detection, supports regulatory and BCS-based classification studies, contributing to the standardization of permeability assessments in drug development. Full article
(This article belongs to the Special Issue Separation Technology and Applications of Functional Natural Products and Pharmaceutical Molecules)
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20 pages, 1425 KiB  
Review
Chitosan as an Elicitor in Plant Tissue Cultures: Methodological Challenges
by Moumita Roy Chowdhury, Mizgin Mehmet, Jit Mukherjee, Anirban Jyoti Debnath and Katarína Ražná
Molecules 2025, 30(17), 3476; https://doi.org/10.3390/molecules30173476 (registering DOI) - 24 Aug 2025
Abstract
Chitosan (CTS) is a biodegradable and biocompatible biopolymer derived from chitin. Thanks to its diverse biological activities and environmentally friendly nature, it has emerged as a promising agent in plant tissue culture. Recent studies have highlighted its role as a natural elicitor that [...] Read more.
Chitosan (CTS) is a biodegradable and biocompatible biopolymer derived from chitin. Thanks to its diverse biological activities and environmentally friendly nature, it has emerged as a promising agent in plant tissue culture. Recent studies have highlighted its role as a natural elicitor that can enhance plant growth, seed germination, and the biosynthesis of secondary metabolites in vitro. In plant tissue culture, it acts as a biotic elicitor, mimicking a pathogen attack and activating the pathogenesis-related proteins to induce secondary metabolite production. In vitro tissue culture is a scientifically meaningful and cost-effective approach to testing the elicitation mechanisms of various abiotic elicitors, including CTS. However, the methodology of CTS elicitation in plant tissue cultures is not straightforward or uniform due to the differences in the CTS origin, molecular weight, and degree of deacetylation, all of which directly affect solubility. This review summarizes the methodological approaches to the use of CTS in plant tissue culture elicitation and highlights specific features of these procedures. Full article
(This article belongs to the Special Issue Chitosan, Chitosan Derivatives, Polysaccharides and Their Applications—2nd Edition)
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13 pages, 1508 KiB  
Article
Grain Boundary Engineering in 3D Porous Silver Electrocatalysts for Enhanced CO2-to-CO Conversion
by Xiaoqian Xu, Song Yang, Yixiang Wang, Ying Chen, Assa Aravindh Sasikala Devi and Feng Hu
Molecules 2025, 30(17), 3475; https://doi.org/10.3390/molecules30173475 (registering DOI) - 24 Aug 2025
Abstract
Silver is a promising electrocatalyst for electrochemical CO2 reduction reaction owing to its high selectivity and efficiency for CO production. However, it still faces a fundamental trade-off between reaction activity and stability. Here, we developed a three-dimensional coral-like porous silver (CP-Ag) catalyst [...] Read more.
Silver is a promising electrocatalyst for electrochemical CO2 reduction reaction owing to its high selectivity and efficiency for CO production. However, it still faces a fundamental trade-off between reaction activity and stability. Here, we developed a three-dimensional coral-like porous silver (CP-Ag) catalyst through seed-assisted nanoparticle attachment synthesis, which creates a unique architecture featuring interconnected pores and stable grain boundaries (GBs) between constituent Ag nanoparticles (Ag NPs). Compared to normal Ag NPs, CP-Ag demonstrates superior catalytic performance, maintaining >90% Faradaic efficiency (FE) for CO across a wide potential range (−0.6 to −1.0 V vs. RHE) while achieving 2-times higher current density. Importantly, CP-Ag demonstrated an impressive long-term stability by sustaining nearly 90% FE for CO approximately 40 h at a current density of −50 mA cm−2 in a flow cell. The enhanced catalytic performance arises from three factors: (1) the three-dimensional coral-like morphology increases accessible active sites and promotes charge transfer efficiency; (2) stable GBs between interconnected nanoparticles increase reaction activity; (3) more moderate binding on Ag (100) preferentially promotes *CO intermediate formation. Our findings highlight the importance of simultaneously engineering both morphological and crystallographic features to optimize silver catalysts for CO2 conversion. Full article
(This article belongs to the Special Issue Functional Materials for Small Molecule Electrocatalysis)
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21 pages, 9573 KiB  
Article
Comparative Phytochemical Analysis of Gastrodiae Rhizoma Peel and Core and Their Lifespan-Extending Potential in Caenorhabditis elegans
by Baoshan Li, Ke Mo, Lipeng Zhou, Yanjun Wang, Yaping Li, Wei Zhang, Chenghao Zhu and Zhirong Sun
Molecules 2025, 30(17), 3474; https://doi.org/10.3390/molecules30173474 (registering DOI) - 23 Aug 2025
Abstract
Gastrodiae Rhizoma (tianma, TM), a traditional medicine that has food and medicine homology, faces controversy over retaining its epidermis (tianma pi, TP) during processing due to unclear phytochemical value. This study presents the first integrated approach combining GC–IMS, UHPLC–MS, and Caenorhabditis elegans ( [...] Read more.
Gastrodiae Rhizoma (tianma, TM), a traditional medicine that has food and medicine homology, faces controversy over retaining its epidermis (tianma pi, TP) during processing due to unclear phytochemical value. This study presents the first integrated approach combining GC–IMS, UHPLC–MS, and Caenorhabditis elegans (C. elegans) aging models to compare TP with the tuber core (tianma xin, TX). The results include the following: (1) A total of forty-seven volatile compounds were identified by GC–IMS, including 12 key aroma substances via relative odor activity value (ROAV ≥ 1), of which seven ((Z)-4-heptenal, β-citronellol, hexanal, 1-pentanol, 1-octen-3-one, 2-methylpropanol, and 2-butanone) were enriched in TP. (2) Non-targeted metabolomics revealed 1025 metabolites via UHPLC–MS, highlighting phenylpropanoid biosynthesis as the primary differential pathway (p < 0.05). Phenylpropanoids and polyketides exhibited predominant enrichment in TP (|log2FC| > 2, VIP > 1, p < 0.01). (3) In C. elegans models, TP outperformed TX in pharyngeal pumping (4.16%, p < 0.05), while both extended stress-resistant lifespan (p < 0.01). In conclusion, TP plays an essential role in establishing the characteristic odor profile of TM and retaining bioactive components, particularly phenylpropanoids. Preserving TP during processing optimally maintains the distinctive aroma profile and pharmacological value of TM, which provides valuable guidance for industrial utilization. Full article
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17 pages, 997 KiB  
Article
Valorization of Agricultural Wastes into Environmentally Sustainable Asphalt Binders
by Paolino Caputo, Valentina Gargiulo, Pietro Calandra, Valeria Loise, Luciana Cimino, Claudio Clemente, Aliya Kenzhegaliyeva, Yerdos Ongarbayev, Cesare Oliviero Rossi, Mikołaj Pochilskj, Jacek Gapinski and Michela Alfè
Molecules 2025, 30(17), 3473; https://doi.org/10.3390/molecules30173473 (registering DOI) - 23 Aug 2025
Abstract
The use of solid products deriving from the pyrolysis of wastes as potential substitute of traditional binders in asphalt preparation is investigated with the final goal of reducing production costs, preserving non-renewable resources, and promoting an effective resource use as well as recovery [...] Read more.
The use of solid products deriving from the pyrolysis of wastes as potential substitute of traditional binders in asphalt preparation is investigated with the final goal of reducing production costs, preserving non-renewable resources, and promoting an effective resource use as well as recovery and recycling procedures, thus implementing a regenerative circular economy approach. Char derived from the pyrolysis of agricultural and aquaculture wastes has been explored as a novel alternative additive for asphalt production. Different feedstocks were used for the preparation of biochar by pyrolysis. The produced char samples, after an in-depth chemical and structural characterization, have been implemented in the preparation of asphalt mixtures, with their potential use as a binder evaluated by performing conventional rheological tests. To evaluate the potential anti-aging effect of char as an additive, bituminous formulations containing 3 to 6 wt.% char were subjected to short-term simulated aging using the Rolling Thin-Film Oven Test (RTFOT) method. The resulting mechanical properties were then assessed. The results indicate that the all the tested char samples have limited modifying properties towards the gel-to-sol transition temperature. Among the samples, lemon peel-derived char (LP-char) showed superior antioxidant properties against bitumen oxidative aging. This study suggests that certain chemical characteristics can serve as predictive indicators of antioxidant activity in biochars produced from biomass pyrolysis. Full article
(This article belongs to the Collection Recycling of Biomass Resources: Biofuels and Biochemicals)
15 pages, 5130 KiB  
Article
An Explorative Study on Using Carbon Nanotube-Based Superhydrophobic Self-Heating Coatings for UAV Icing Protection
by Jincheng Wang, James Frantz, Edward Chumbley, Abdallah Samad and Hui Hu
Molecules 2025, 30(17), 3472; https://doi.org/10.3390/molecules30173472 (registering DOI) - 23 Aug 2025
Abstract
In-flight icing presents a critical safety hazard for unmanned aerial vehicles (UAVs), resulting in ice accumulation on propeller surfaces that compromise UAV aerodynamic performance and operational integrity. While hybrid anti-/de-icing systems (i.e., combining active heating with passive superhydrophobic coatings) have been developed recently [...] Read more.
In-flight icing presents a critical safety hazard for unmanned aerial vehicles (UAVs), resulting in ice accumulation on propeller surfaces that compromise UAV aerodynamic performance and operational integrity. While hybrid anti-/de-icing systems (i.e., combining active heating with passive superhydrophobic coatings) have been developed recently to efficiently address this challenge, conventional active heating sub-systems utilized in the hybrid anti-/de-icing systems face significant limitations when applied to curved geometries of UAV propeller blades. This necessitates the development of innovative self-heating superhydrophobic coatings that can conform perfectly to complex surface topographies. Carbon-based electrothermal coatings, particularly those incorporating graphite and carbon nanotubes, represent a promising approach for ice mitigation applications. This study presents a comprehensive experimental investigation into the development and optimization of a novel self-heating carbon nanotube (CNT)-based superhydrophobic coating specifically designed for UAV icing mitigation. The coating’s anti-/de-icing efficacy was evaluated through a comprehensive experimental campaign conducted on a rotating UAV propeller under typical glaze icing conditions within an advanced icing research tunnel facility. The durability of the coating was also examined in a rain erosion test rig under the continuous high-speed impingement of water droplets. Experimental results demonstrate the successful application of the proposed sprayable self-heating superhydrophobic coating in UAV icing mitigation, providing valuable insights into the viability of CNT-based electrothermal coatings for practical UAV icing protection. This work contributes to the advancement of icing protection technologies for un-manned aerial systems operating in adverse weather conditions. Full article
(This article belongs to the Special Issue Micro/Nano-Materials for Anti-Icing and/or De-Icing Applications)
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22 pages, 8158 KiB  
Article
High-Value Utilization of Amaranth Residue and Waste LDPE by Co-Pyrolysis
by Julia Karaeva, Svetlana Timofeeva, Svetlana Islamova, Marina Slobozhaninova, Ekaterina Oleynikova and Olga Sidorkina
Molecules 2025, 30(17), 3471; https://doi.org/10.3390/molecules30173471 (registering DOI) - 23 Aug 2025
Abstract
Amaranth is important for the agro-industrial complex. However, when extracting flour and oil from seeds, a lot of waste remains. Waste recycling by co-pyrolysis aims at obtaining new products with high added value. This study examined a combination of A. cruentus (AC) residues [...] Read more.
Amaranth is important for the agro-industrial complex. However, when extracting flour and oil from seeds, a lot of waste remains. Waste recycling by co-pyrolysis aims at obtaining new products with high added value. This study examined a combination of A. cruentus (AC) residues and low-density polyethylene (LDPE) waste. The addition of polymer was aimed at obtaining hydrocarbon-rich pyrolysis liquid and biochar. Pyrolysis was performed on an experimental setup, along with thermogravimetry–Fourier infrared spectroscopy–gas chromatography mass spectrometry (TG-FTIR-GC MS), to examine the thermochemical conversion. Experiments were carried out using a thermogravimetric analyzer at heating rates of 5, 10, and 20 °C/min. The average activation energy values for the pyrolysis of the AC/LDPE blend by the Ozawa–Flynn–Wall (OFW) and Kissinger–Akahira–Sunose (KAS) techniques were 301.39 kJ/mol and 287.69 kJ/mol, respectively. A visual examination of the correlations of the kinetic parameters of AC/LDPE was carried out using the Kriging method. The pyrolysis liquid from AC contains 38.14% hydrocarbons, with the main part being aliphatic hydrocarbons. During the pyrolysis of the AC/LDPE mixture, hydrocarbons were found in the resinous and waxy organic fractions of the pyrolysis liquid. The composition and properties of AC and AC/LDPE biochar are similar, and they can both be applied to agriculture. Full article
(This article belongs to the Special Issue Valorization of Biomass and Waste: Transforming Renewable Resources into High-Value Chemicals and Fuels)
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32 pages, 4803 KiB  
Review
Methods and Applications of Lanthanide/Transition Metal Ion-Doped Luminescent Materials
by Xiaoyi Chen, Jiaqi Liu, Shujing Zhou, Zan Li, Min Yuan, Jinghui Shen, Yifan Zhang and Rongrong Ye
Molecules 2025, 30(17), 3470; https://doi.org/10.3390/molecules30173470 (registering DOI) - 23 Aug 2025
Abstract
Lanthanide/transition metal-doped luminescent materials are advanced materials with broad application potential. This type of material achieves control and optimization of luminescence performance by introducing lanthanide/transition metal ions into the host material and utilizing its unique electronic structure and optical properties. Luminescent materials are [...] Read more.
Lanthanide/transition metal-doped luminescent materials are advanced materials with broad application potential. This type of material achieves control and optimization of luminescence performance by introducing lanthanide/transition metal ions into the host material and utilizing its unique electronic structure and optical properties. Luminescent materials are suitable for optical communication devices, biological imaging, and photodetectors. The combination of lanthanide/transition metals with various matrix materials provides a new platform for creating new chemical and physical properties in materials science and device applications. In this paper, we summarize the latest progress in the research of lanthanide/transition metal-doped luminescent materials and explain their roles in biological imaging, sensing, and optoelectronic applications. It starts with various synthesis techniques and explores how to cleverly incorporate rare earth/transition metals into various matrices, thereby endowing them with unique properties. Then, the advantages and disadvantages of each synthesis technique are discussed. Subsequently, the focus will be on functional strategies and their applications. Finally, strategies for lanthanide/transition metal ion-doped luminescent materials to address challenges are proposed, and insights from each section are summarized. Full article
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20 pages, 2743 KiB  
Article
Extraction of Ficus carica Polysaccharide by Ultrasound-Assisted Deep Eutectic Solvent-Based Three-Phase Partitioning System: Process Optimization, Partial Structure Characterization, and Antioxidant Properties
by Qisen Sun, Zhubin Song, Fanghao Li, Xinyu Zhu, Xinyu Zhang and Hao Chen
Molecules 2025, 30(17), 3469; https://doi.org/10.3390/molecules30173469 (registering DOI) - 23 Aug 2025
Abstract
An innovative ultrasound-assisted deep eutectic solvent-based three-phase partitioning (UA-DES-TPP) system was developed for the sustainable extraction of Ficus carica polysaccharide (FCP). Using a hydrophobic DES composed of dodecanoic acid and octanoic acid (1:1 molar ratio), a phase behavior-driven separation mechanism was established. The [...] Read more.
An innovative ultrasound-assisted deep eutectic solvent-based three-phase partitioning (UA-DES-TPP) system was developed for the sustainable extraction of Ficus carica polysaccharide (FCP). Using a hydrophobic DES composed of dodecanoic acid and octanoic acid (1:1 molar ratio), a phase behavior-driven separation mechanism was established. The system was systematically optimized through single-factor experiments and response surface methodology (RSM), achieving a maximum FCP yield of 9.22 ± 0.20% under optimal conditions (liquid–solid ratio 1:24.2 g/mL, top/bottom phase volume ratio 1:1.05 v/v, ammonium sulfate concentration 25.8%). Structural characterization revealed that FCP was a heteropolysaccharide primarily composed of glucose and mannose with α/β-glycosidic linkages and a loose fibrous network. Remarkably, the DESs demonstrated excellent recyclability over five cycles. Furthermore, FCP exhibited significant concentration-dependent antioxidant activities: 82.3 ± 3.8% DPPH radical scavenging at 8 mg/mL, 76.8 ± 0.8% ABTS+ scavenging, and ferric ion reducing power of 45.53 ± 1.07 μmol TE/g. This study provides a new path for the efficient and sustainable extraction of bioactive macromolecules. Full article
(This article belongs to the Special Issue Natural Antioxidants in Functional Food)
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16 pages, 1429 KiB  
Article
COSMO-RS Solubility Screening and Coumarin Extraction from Pterocaulon polystachyum with Deep Eutectic Solvents
by Victor Hugo Rodrigues, Arthur Cavassa, Júlia Cardeal, Nathalya Brazil, Helder Teixeira, Gilsane von Poser, Rubem Mário Vargas, Ana Rita Duarte and Eduardo Cassel
Molecules 2025, 30(17), 3468; https://doi.org/10.3390/molecules30173468 (registering DOI) - 23 Aug 2025
Abstract
Deep eutectic solvents (DESs) have been studied to obtain extracts from medicinal plants, aiming for a more environmentally friendly process. Aligned with this initiative, the use of predictive thermodynamic models for screening the best solvent represents a theoretical action to reduce experimental time [...] Read more.
Deep eutectic solvents (DESs) have been studied to obtain extracts from medicinal plants, aiming for a more environmentally friendly process. Aligned with this initiative, the use of predictive thermodynamic models for screening the best solvent represents a theoretical action to reduce experimental time and cost. Therefore, this study aimed to perform and validate a relative solubility screening of 5-methoxy-6,7-methylenedioxycoumarin and prenyletin-methyl-ether at 313 K in choline chloride, menthol, and betaine-based DES, using the COSMO-RS model in COSMOThermX software. The density of DES was also predicted with a maximum error of 7.31% for this property. Ultrasound-assisted extraction (UAE) with DES at 313 K, 30 min, and a solid/liquid ratio of 1:20 (w/w) was performed to confirm the theoretical solubility results experimentally, as the extracts were analyzed through ultrafast liquid chromatography (UFLC) for coumarin content. For the results, the coumarin molecules presented intense peaks in the nonpolar region of their σ-profile, and the relative solubility screening indicated the DES Men/Lau (2:1), known for its hydrophobic nature and low polarity, as the best DES to solubilize these coumarins. Nevertheless, the UFLC results, and the complementary solubility screening of pigments, showed an interaction preference of this DES with chlorophylls instead of coumarins. This result was corroborated by spectrophotometric analysis of the extracts in UV-Vis, demonstrating that experimental validation is still mandatory in extraction processes and that predictive methodologies such as COSMO-RS should be used as guiding tools and analyzed in a greater context, considering the complexity of plant matrices in the beginning of simulations. Full article
(This article belongs to the Special Issue Deep Eutectic Solvents for the Extraction of Bioactive Compounds from Natural Sources)
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21 pages, 2057 KiB  
Review
A Comprehensive Review of Niosomes: Composition, Structure, Formation, Characterization, and Applications in Bioactive Molecule Delivery Systems
by Alfredo Amaury Bautista-Solano, Gloria Dávila-Ortiz, María de Jesús Perea-Flores and Alma Leticia Martínez-Ayala
Molecules 2025, 30(17), 3467; https://doi.org/10.3390/molecules30173467 (registering DOI) - 23 Aug 2025
Abstract
Niosomes are nanocarriers with a bilayer structure, consisting of a polar region and a non-polar region. This unique structure allows them to encapsulate compounds with varying polarities, addressing solubility challenges in the transport and delivery of bioactive molecules. The formation of niosomes involves [...] Read more.
Niosomes are nanocarriers with a bilayer structure, consisting of a polar region and a non-polar region. This unique structure allows them to encapsulate compounds with varying polarities, addressing solubility challenges in the transport and delivery of bioactive molecules. The formation of niosomes involves key structural, geometric, and thermodynamic factors influenced by the choice of surfactants and preparation methods. These factors, including the critical packing factor and the hydrophilic–lipophilic balance (HLB), play a crucial role in determining the properties of the final niosomes. Additionally, the use of Tandford’s equations allows for the calculation of geometric parameters. These factors determine the structural integrity and functional properties of niosomes, making it possible to design functional niosomes with characteristics tailored for specific applications. This ability to design niosomes with desired properties is especially valuable in biomedical fields, where precise control over drug delivery and targeting is essential. This review highlights the importance of niosome formulation and presents examples of niosomes that have been functionalized for specific applications, including anticancer treatments, immunological treatments, and their action in the central nervous system. Full article
(This article belongs to the Special Issue Advances in the Formulation of Nanocarriers for Healthcare and Environmental Applications)
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11 pages, 1368 KiB  
Article
Ionizing Radiation-Induced Structural Modification of Isoegomaketone and Its Anti-Inflammatory Activity
by Euna Choi, Chang Hyun Jin, Trung Huy Ngo, Jisu Park, Joo-Won Nam and Ah-Reum Han
Molecules 2025, 30(17), 3466; https://doi.org/10.3390/molecules30173466 (registering DOI) - 23 Aug 2025
Abstract
Isoegomaketone [(E)-1-(furan-3-yl)-4-methylpent-2-en-1-one; 1] is abundant in the essential oil of Perilla species and exhibits various biological activities, such as anticancer and anti-inflammatory effects. In order to discover compounds with reduced toxicity or enhanced biological activity through structural modification of natural [...] Read more.
Isoegomaketone [(E)-1-(furan-3-yl)-4-methylpent-2-en-1-one; 1] is abundant in the essential oil of Perilla species and exhibits various biological activities, such as anticancer and anti-inflammatory effects. In order to discover compounds with reduced toxicity or enhanced biological activity through structural modification of natural product-derived components, isoegomaketone was irradiated with an electron beam at five different doses, and (±)-8-methoxy-perilla ketone (2) was obtained with the highest yield of 3.8% (w/w) at 80 kGy. Its structure was identified by one-dimensional and two-dimensional nuclear magnetic resonance spectroscopy and high-resolution chemical ionization mass spectrometry. Compound 2 inhibited nitric oxide production and inducible nitric oxide synthase mRNA expression in a dose-dependent manner in lipopolysaccharide-stimulated RAW 264.7 cells. It also dose-dependently suppressed the mRNA expression of pro-inflammatory mediators such as IL-1β, IFN-β, and MCP-1, while having no significant effect on IL-6 mRNA levels. Furthermore, ELISA analysis demonstrated that 2 reduced MCP-1 protein expression but did not affect the protein level of TNF-α or IL-6. This study provides a reference for the structural analysis of compounds related to 2 by presenting NMR data acquired with chloroform-d, and is the first to report the anti-inflammatory properties of 2. Full article
(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Food Chemistry)
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12 pages, 4602 KiB  
Article
Structure–Activity Relationships in Ni-Al Mixed Oxides: The Critical Role of a Precursor Anion in the Oxidative Dehydrogenation of Ethane
by Qingzhu Meng, Dongxu Han, Dong Li, Yang Dong, Yanrong Wang, Lian Kong, Wanli Kang, Saule B. Aidarova and Zhen Zhao
Molecules 2025, 30(17), 3465; https://doi.org/10.3390/molecules30173465 - 22 Aug 2025
Abstract
The study employed a green, template-free ball milling method to construct a series of Ni-Al mixed oxide catalysts modulated by different nickel precursors (nitrate, acetate, carbonate, sulfate, and chlorate). Through multiscale characterization techniques (XRD, TEM, XPS, H2-TPR, etc.) and catalytic performance [...] Read more.
The study employed a green, template-free ball milling method to construct a series of Ni-Al mixed oxide catalysts modulated by different nickel precursors (nitrate, acetate, carbonate, sulfate, and chlorate). Through multiscale characterization techniques (XRD, TEM, XPS, H2-TPR, etc.) and catalytic performance evaluations, we systematically elucidated the regulatory mechanism of precursor types on the structure-performance relationship. The NiAlOx-CO32− catalyst derived from nickel carbonate exhibited a unique structure, an optimal Ni/Al ratio, and well-tuned active oxygen species, thereby demonstrating exceptional catalytic performance in the oxidative dehydrogenation of ethane (ODHE) at 475 °C with 53.2% ethane conversion, 72.6% ethylene selectivity, and maintained stability over 40 h of continuous operation. Beyond developing high-performance ODHE catalysts, this work establishes a “precursor chemistry–material structure–catalytic performance” relationship model, offering new insights for the rational design of efficient catalysts for light alkane conversion. Full article
(This article belongs to the Special Issue Advances in Metal/Oxide Interfacial Catalysts: Design, Properties, and Applications)
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34 pages, 523 KiB  
Review
Baicalin: Natural Sources, Extraction Techniques, and Therapeutic Applications Against Bacterial Infections
by Xin Meng, Chao Ning, Mengna Kang, Xiuwen Wang, Zhiyun Yu, Xueyu Hao and Haiyong Guo
Molecules 2025, 30(17), 3464; https://doi.org/10.3390/molecules30173464 - 22 Aug 2025
Abstract
The emergence of bacterial strains resistant to available antibiotics due to overprescription has prompted a search for alternative treatments. Among the most promising is baicalin, a flavonoid extracted from the roots of Scutellaria baicalensis. Roots, the primary natural source of baicalin, have [...] Read more.
The emergence of bacterial strains resistant to available antibiotics due to overprescription has prompted a search for alternative treatments. Among the most promising is baicalin, a flavonoid extracted from the roots of Scutellaria baicalensis. Roots, the primary natural source of baicalin, have been extensively explored using emerging extraction technologies such as ultrasonic-assisted extraction and supercritical fluid extraction. These methods offer significant advantages over traditional reflux extraction for baicalin preparation, including shorter extraction times, lower energy consumption, and improved environmental sustainability. Baicalin exhibits remarkable antibacterial activity in vitro and has demonstrated therapeutic efficacy against gastrointestinal infections, meningitis, pulmonary diseases, and sepsis, among other infectious disorders, in animal models. Documented mechanisms of action include disrupting the Escherichia coli membrane, downregulating quorum-sensing gene expression in Pseudomonas aeruginosa, and inhibiting host inflammatory pathways such as PI3K/Akt/NF-κB. However, its clinical translation faces several bottlenecks, including reliance on animal experiment data, low bioavailability, and regulatory compliance issues. This review compares baicalin extraction yields from different natural sources, summarizes the advantages and disadvantages of various extraction technologies, analyzes possible mechanisms of action in treating different bacterial diseases, and discusses outstanding challenges and best strategies for expanded clinical use against bacterial infection. Our aim is to provide a valuable reference for future research and clinical applications. Full article
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19 pages, 2610 KiB  
Article
Ginsenoside Re Regulates the Insulin/Insulin-like Growth Factor-1 Signaling Pathway and Mediates Lipid Metabolism to Achieve Anti-Aging Effects in Caenorhabditis elegans
by Qi Chen, Xiaolu Chen, Linzhen Chen, Xue Zhang, Zhuo Yang, Juhui Hao and Zhiqiang Ma
Molecules 2025, 30(17), 3463; https://doi.org/10.3390/molecules30173463 - 22 Aug 2025
Abstract
The increasing demographic aging of society is a great challenge to the healthcare sector and raises the socio-economic burden. Therefore, elucidating the mechanisms of aging and developing safe effective anti-aging products to prolong people’s healthy lifespan are paramount nowadays. Panax ginseng has been [...] Read more.
The increasing demographic aging of society is a great challenge to the healthcare sector and raises the socio-economic burden. Therefore, elucidating the mechanisms of aging and developing safe effective anti-aging products to prolong people’s healthy lifespan are paramount nowadays. Panax ginseng has been highly regarded since ancient times for its ability to enhance health and prolong life. However, its main active substances of anti-aging and their mechanisms are not fully understood. In this research, Caenorhabditis elegans was used as a model organism to explore and confirm the key active substances from Panax ginseng and the mechanisms that exert anti-aging effects. Various ginsenoside compounds were evaluated based on longevity, anti-stress, physiological function, etc. Ginsenoside Re, which has powerful anti-aging activity, was screened. In the follow-up trials, transcriptomics and RT-qPCR techniques were used to investigate the mechanism of Re in exerting its anti-aging properties. Differential genes were enriched in the Insulin/Insulin-like Growth Factor-1 Signaling (IIS) pathway, the neuropeptide signaling pathway, and lipid metabolism. A significant increase in the expression levels of daf-16, sgk-1, skn-1, hsf-1, hsp-16.2, sod-3, gst-4, fil-2, lips-11, cyp-35A4, and aex-2 genes, and a significant decrease in the expression levels of daf-2, age-1, and akt-2 genes were verified. These suggest that ginsenoside Re exerts its life-extending influence by regulating lipid metabolism and the IIS pathway. Full article
(This article belongs to the Special Issue Bioactive Compounds: Applications and Benefits for Human Health)
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13 pages, 1295 KiB  
Article
Isolating and Determining the Structures of Colored Products from the Reactions of Cannabinoids with Fast Blue RR
by Kayo Nakamura, Hikari Nishiguchi, Ryosuke Arai, Riho Hamajima, Hiroko Abe, Akihiko Ishida, Manabu Tokeshi, Kyohei Higashi, Akiyoshi Saitoh and Hideyo Takahashi
Molecules 2025, 30(17), 3462; https://doi.org/10.3390/molecules30173462 - 22 Aug 2025
Abstract
Although cannabis is used in a wide range of fields, including medicine and pharmacology, its use is prohibited in Japan because it contains D9-tetrahydrocannabinol (D9-THC), a compound that exhibits narcotic effects. While cannabis is primarily detected via color-based screening [...] Read more.
Although cannabis is used in a wide range of fields, including medicine and pharmacology, its use is prohibited in Japan because it contains D9-tetrahydrocannabinol (D9-THC), a compound that exhibits narcotic effects. While cannabis is primarily detected via color-based screening methods at crime scenes, the reaction products and mechanisms associated with these screening methods have not been fully elucidated. To address this issue, the colored products were isolated via the diazo-coupling reactions of the major cannabinoids (cannabidiol, cannabinol, and D9-THC) in cannabis with the Fast Blue RR diazonium salt, and their structures were determined using NMR spectroscopy. As expected, azo compound 2 was formed from cannabidiol, whereas cannabinol and D9-THC produced quinoneimines 3 and 4, respectively. This study is expected to lead to the future development of more sensitive color-based reagents that produce fewer false positives. Full article
(This article belongs to the Special Issue Exploring Analytical Techniques in Pharmaceutical and Biomedical Analysis)
29 pages, 5104 KiB  
Article
Synthesis, Structure, DNA/BSA Binding, DNA Cleaving, Cytotoxic and SOD Mimetic Activities of Copper(II) Complexes Derived from Methoxybenzylamine Schiff Base Ligands
by Lucia Lintnerová, Peter Herich, Jana Korcová, Barbora Svitková, Flóra Jozefíková and Jindra Valentová
Molecules 2025, 30(17), 3461; https://doi.org/10.3390/molecules30173461 - 22 Aug 2025
Abstract
Schiff base ligands prepared from salicylaldehyde and 2-, 3- and 4-methoxybenzylamine were used to prepare copper(II) complexes, characterized by spectral methods, elemental analysis and X-ray crystallography in the case of complex 4a derived from 2-methoxybenzylamine. The DNA cleavage activity of the prepared complexes [...] Read more.
Schiff base ligands prepared from salicylaldehyde and 2-, 3- and 4-methoxybenzylamine were used to prepare copper(II) complexes, characterized by spectral methods, elemental analysis and X-ray crystallography in the case of complex 4a derived from 2-methoxybenzylamine. The DNA cleavage activity of the prepared complexes was exceptional, with best activities of over 95% one-strand cleavage for 4c at 3 mM and full double-strand cleavage for complex 4a at 5 mM. Absorption titration studies with ct-DNA revealed good binding constants (at 105 M−1) with a decrease of up to 56% light absorption. Meanwhile, the EB–DNA displacement method and viscosity studies revealed groove binding as a possible binding mode. For BSA binding studies, all three complexes showed KBSA values in the optimal range for reversible BSA binding (104 M−1). The copper(II) complexes showed significant cytotoxic effects (67–96% at 1 mM) in mitochondrial activity monitoring assays. Cytotoxicity was confirmed against cancer cell lines (A549 and HepG2) and HEL cells. The complexes 4a and 4c exhibited high activity against HepG2 cancer cells (IC50 < 22 μM), comparable to cisplatin. The radical scavenging activity was determined by the INT method with the best IC50 for 4c (189 ± 11 μM). Overall, complexes 4a and 4c with a methoxy group in the ortho and para positions show high potential in most determined activities, but mainly as DNA cleavers and as cytotoxic agents with selectivity against HepG2 cells. Full article
(This article belongs to the Special Issue Synthesis, Characterization and Biological Evaluation of Metal Complexes)
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63 pages, 2516 KiB  
Review
Advancing the Potential of Polyscias fruticosa as a Source of Bioactive Compounds: Biotechnological and Pharmacological Perspectives
by Anita A. Śliwińska and Karolina Tomiczak
Molecules 2025, 30(17), 3460; https://doi.org/10.3390/molecules30173460 - 22 Aug 2025
Abstract
Polyscias fruticosa (L.) Harms, a Southeast Asian medicinal plant of the Araliaceae family, has gained increasing attention due to its rich phytochemical profile and potential pharmacological applications. This review provides an up-to-date synthesis of biotechnological strategies and chemical investigations related to this species. [...] Read more.
Polyscias fruticosa (L.) Harms, a Southeast Asian medicinal plant of the Araliaceae family, has gained increasing attention due to its rich phytochemical profile and potential pharmacological applications. This review provides an up-to-date synthesis of biotechnological strategies and chemical investigations related to this species. In vitro propagation methods, including somatic embryogenesis, adventitious root, and cell suspension cultures, are discussed with emphasis on elicitation and bioreactor systems to enhance the production of secondary metabolites. Phytochemical analyses using gas chromatography–mass spectrometry (GC-MS), high-performance liquid chromatography (HPLC), and nuclear magnetic resonance (NMR) have identified over 120 metabolites, including triterpenoid saponins, polyphenols, sterols, volatile terpenoids, polyacetylenes, and fatty acids. Several compounds, such as tocopherols, conjugated linoleic acids, and alismol, were identified for the first time in the genus. These constituents exhibit antioxidant, anti-inflammatory, antimicrobial, antidiabetic, anticancer, and neuroprotective activities, with selected saponins (e.g., chikusetsusaponin IVa, Polyscias fruticosa saponin [PFS], zingibroside R1) showing confirmed molecular mechanisms of action. The combination of biotechnological tools with phytochemical and pharmacological evaluation supports P. fruticosa as a promising candidate for further functional, therapeutic, and nutraceutical development. This review also identifies knowledge gaps related to compound characterization and mechanistic studies, suggesting future directions for interdisciplinary research. Full article
(This article belongs to the Special Issue Natural Products with Pharmaceutical Activities)
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19 pages, 2260 KiB  
Article
Design, Production and Quality Assessment of Antioxidant-Enriched Olive Paste Dips Using Agro-Food By-Products
by Efimia Dermesonlouoglou, Athanasios Limnaios, Ioanna Bouskou, Athina Ntzimani, Maria Tsevdou and Petros Taoukis
Molecules 2025, 30(17), 3459; https://doi.org/10.3390/molecules30173459 - 22 Aug 2025
Abstract
This study focuses on the design, development and quality assessment of an innovative shelf-stable olive paste dip, aiming at the valorization of by-products of tomato processing and olive oil production (Product 1: OPD). Bioactive compounds (BACs), i.e., total carotenoids and phenolic components, were [...] Read more.
This study focuses on the design, development and quality assessment of an innovative shelf-stable olive paste dip, aiming at the valorization of by-products of tomato processing and olive oil production (Product 1: OPD). Bioactive compounds (BACs), i.e., total carotenoids and phenolic components, were extracted from tomato and olive pomace, respectively. For further enrichment, BACs were incorporated in olive paste dips into a second product (OPDEnr) in encapsulated form (Product 2: OPDEnr). The total carotenoids (TC) of OPD and OPDEnr were 20.0 ± 2.0 and 30.2 ± 1.0 mg/kg, respectively. Similarly, the total phenolic content (TPC) and the antioxidant activity (AA) were 1.62 ± 0.08 and 3.05 ± 0.10 mg GAE/g, and 0.801 ± 0.075 and 0.976 ± 0.032 mg Trolox/g, respectively. The quality of the developed olive paste dip product prototypes was assessed using the Accelerated Shelf Life Testing (ASLT) methodology at a temperature range of 20–40 °C. Both OPDEnr and OPD were microbiologically stable during storage (i.e., not exceeding 4 logCFU/g for total mesophilic counts), and no lipid oxidation evolution was observed (Peroxide Value, PV did not exceed 4 meq O2/kg), while TC, TPC and AA values remained stable. The shelf life of OPDEnr and OPD was determined based on the overall sensory quality and was found to be 120 and 211 d at 25 °C, respectively. OPDEnr and OPD were characterized by a high quality (color and texture), with an overall sensory score of 8.0/9.0 and 9.0/9.0, respectively, in the acceptability–hedonic scale 1 (dislike extremely)-9 (like extremely), and they could potentially be consumed as an antioxidant-enriched olive paste dip. Full article
(This article belongs to the Special Issue Extraction and Analysis of New Bioactive Compounds Derived from Natural Products, 2nd Edition)
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13 pages, 1207 KiB  
Article
Evaluation of Cyclotron Solid Target Produced Gallium-68 Chloride for the Labeling of [68Ga]Ga-PSMA-11 and [68Ga]Ga-DOTATOC
by Michał Jagodziński, Jakub Boratyński, Paulina Hamankiewicz, Łukasz Cheda, Witold Uhrynowski, Agnieszka Girstun, Joanna Trzcińska-Danielewicz, Zbigniew Rogulski and Marek Pilch-Kowalczyk
Molecules 2025, 30(17), 3458; https://doi.org/10.3390/molecules30173458 - 22 Aug 2025
Abstract
Gallium-68 is a widely used positron-emitting radionuclide in nuclear medicine, traditionally obtained from 68Ge/68Ga generators. However, increasing clinical demand has driven interest in alternative production methods, such as medical cyclotrons equipped with solid targets. This study evaluates the functional equivalence [...] Read more.
Gallium-68 is a widely used positron-emitting radionuclide in nuclear medicine, traditionally obtained from 68Ge/68Ga generators. However, increasing clinical demand has driven interest in alternative production methods, such as medical cyclotrons equipped with solid targets. This study evaluates the functional equivalence of gallium-68 chloride obtained from cyclotron solid target and formulated to be equivalent to the eluate from a germanium-gallium generator, aiming to determine whether this production method can serve as a reliable alternative for PET radiopharmaceutical applications. Preparations of [68Ga]Ga-PSMA-11 and [68Ga]Ga-DOTATOC, labeled with cyclotron-derived gallium-68 chloride, were subjected to quality control analysis using radio thin layer chromatography and radio high performance liquid chromatography. Subsequently, biodistribution studies were performed in mouse oncological models of expression of PSMA antigen and SSTR receptor to compare uptake of preparations produced with generator and cyclotron-derived isotopes. All tested formulations met the required radiochemical purity specifications. Moreover, tumor accumulation of the radiolabeled compounds was comparable regardless of the isotope source. The results support the conclusion that gallium-68 produced via cyclotron is functionally equivalent to that obtained from a generator, demonstrating its potential for interchangeable use in clinical and research radiopharmaceutical applications. Full article
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39 pages, 5729 KiB  
Review
Metabolism, a Blossoming Target for Small-Molecule Anticancer Drugs
by Michela Puxeddu, Romano Silvestri and Giuseppe La Regina
Molecules 2025, 30(17), 3457; https://doi.org/10.3390/molecules30173457 - 22 Aug 2025
Abstract
Reprogramming is recognized as a promising target in cancer therapy. It is well known that the altered metabolism in cancer cells, in particular malignancies, are characterized by increased aerobic glycolysis (Warburg effect) which promotes rapid proliferation. The effort to design compounds able to [...] Read more.
Reprogramming is recognized as a promising target in cancer therapy. It is well known that the altered metabolism in cancer cells, in particular malignancies, are characterized by increased aerobic glycolysis (Warburg effect) which promotes rapid proliferation. The effort to design compounds able to modulate these hallmarks of cancer are gaining increasing attention in drug discovery. In this context, the present review explores recent progress in the development of small molecule inhibitors of key metabolic pathways, such as glycolysis, glutamine metabolism and fatty acid synthesis. In particular, different mechanisms of action of these compounds are analyzed, which can target distinct enzymes, including LDH, HK2, PKM2, GLS and FASN. The findings underscore the relevance of metabolism-based strategies in developing next-generation anticancer agents with potential for improved efficacy and reduced systemic toxicity. Full article
(This article belongs to the Special Issue Small-Molecule Drug Design and Discovery)
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41 pages, 1055 KiB  
Review
Targeting Inflammation with Natural Products: A Mechanistic Review of Iridoids from Bulgarian Medicinal Plants
by Rositsa Mihaylova, Viktoria Elincheva, Reneta Gevrenova, Dimitrina Zheleva-Dimitrova, Georgi Momekov and Rumyana Simeonova
Molecules 2025, 30(17), 3456; https://doi.org/10.3390/molecules30173456 - 22 Aug 2025
Abstract
Chronic, low-grade inflammation is a key contributor to the development of numerous non-communicable diseases (NCDs), including cardiovascular, metabolic, and neurodegenerative disorders. Conventional anti-inflammatory drugs, such as nonsteroidal anti-inflammatory drugs (NSAIDs) and corticosteroids, often present safety concerns with prolonged use, highlighting the need for [...] Read more.
Chronic, low-grade inflammation is a key contributor to the development of numerous non-communicable diseases (NCDs), including cardiovascular, metabolic, and neurodegenerative disorders. Conventional anti-inflammatory drugs, such as nonsteroidal anti-inflammatory drugs (NSAIDs) and corticosteroids, often present safety concerns with prolonged use, highlighting the need for safer, multi-targeted therapeutic options. Iridoids, a class of monoterpenoid compounds abundant in several medicinal plants, have emerged as promising bioactive agents with diverse pharmacological properties. They exert anti-inflammatory and metabolic regulatory effects by modulating key signaling pathways, including nuclear factor kappa B (NF-κB), mitogen-activated protein kinase (MAPK), Janus kinase/signal transducer and activator of transcription (JAK/STAT), adenosine monophosphate-activated protein kinase (AMPK), and peroxisome proliferator-activated receptor (PPAR) pathways. This review provides a comprehensive summary of the major iridoid metabolites derived from ten Bulgarian medicinal plant species, along with mechanistic insights from in vitro and in vivo studies. Documented biological activities include anti-inflammatory, antioxidant, immunomodulatory, antifibrotic, organoprotective, antibacterial, antiviral, analgesic, and metabolic effects. By exploring their phytochemical profiles and pharmacodynamics, we underscore the therapeutic potential of iridoid-rich Bulgarian flora in managing inflammation-related and metabolic diseases. These findings support the relevance of iridoids as complementary or alternative agents to conventional therapies and highlight the need for further translational and clinical research. Full article
(This article belongs to the Special Issue Role of Natural Products in Inflammation)
16 pages, 4846 KiB  
Article
A Neodymium(III)-Based Hydrogen-Bonded Bilayer Framework with Dual Functions: Selective Ion Sensing and High Proton Conduction
by Jie Liu, Xin-Yu Guo, Wen-Duo Zhu, Nan Zheng and Jiu-Fu Lu
Molecules 2025, 30(17), 3455; https://doi.org/10.3390/molecules30173455 - 22 Aug 2025
Abstract
Lanthanide hydrogen-bonded organic frameworks (Ln-HOFs) integrating luminescent and proton-conductive properties hold significant promise for multifunctional sensing and energy applications, yet their development remains challenging due to the difficulty of balancing structural stability and functional diversity. In this context, this study successfully synthesized a [...] Read more.
Lanthanide hydrogen-bonded organic frameworks (Ln-HOFs) integrating luminescent and proton-conductive properties hold significant promise for multifunctional sensing and energy applications, yet their development remains challenging due to the difficulty of balancing structural stability and functional diversity. In this context, this study successfully synthesized a novel neodymium(III)-based hydrogen-bonded framework material, formulated as {Nd(H2O)3(4-CPCA)[H(4-CPCA)]∙H2O}ₙ (SNUT-15), via hydrothermal assembly using 1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid (H2(4-CPCA)) as the ligand. Single-crystal X-ray diffraction analysis revealed a rare two-dimensional hydrogen-bonded bilayer structure stabilized by π-π stacking interactions and intermolecular hydrogen bonds. Hirshfeld surface analysis further corroborated the structural characteristics of this material. Moreover, leveraging the superior luminescent properties of lanthanide elements, this crystalline material exhibits dual functionality: selective fluorescence quenching toward Fe3+, La3+, and Mn2+ (with detection limits of 1.74 × 10−4, 1.88 × 10−4, and 3.57 × 10−4 mol·L−1, respectively), as well as excellent proton conductivity reaching 7.92 × 10−3 S cm−1 under conditions of 98% relative humidity and 353 K (80 °C). As a multifunctional neodymium(III)-based HOF material, SNUT-15 demonstrates its potential for applications in environmental monitoring and solid-state electrolytes, providing valuable insights into the rational design of lanthanide-containing frameworks. Full article
(This article belongs to the Section Molecular Structure)
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16 pages, 1772 KiB  
Article
Antioxidant and Antibacterial Potential of Passiflora edulis (Passion Fruit) at Three Ripening Stages for Waste Valorization
by Mariela Quirós-Cubillo, Sandra Valdés-Díaz, Juan Oviedo-Quirós, Víctor Álvarez-Valverde and Randall Syedd-León
Molecules 2025, 30(17), 3454; https://doi.org/10.3390/molecules30173454 - 22 Aug 2025
Abstract
This study evaluated the antioxidant and antibacterial potential of Passiflora edulis (passion fruit) at three ripening stages—intermediate, ripe, and overripe—to determine the optimal consumption time based on the presence of secondary metabolites (polyphenols, alkaloids, and anthocyanins). Fruits from Costa Rica, including pulp and [...] Read more.
This study evaluated the antioxidant and antibacterial potential of Passiflora edulis (passion fruit) at three ripening stages—intermediate, ripe, and overripe—to determine the optimal consumption time based on the presence of secondary metabolites (polyphenols, alkaloids, and anthocyanins). Fruits from Costa Rica, including pulp and peel, were analyzed. Qualitative assays (Dragendorff, Mayer, Lieberman Burchard, Ferric Chloride, and Shinoda) and quantitative analyses using Folin–Ciocalteu (total polyphenols), ORAC (antioxidant activity), and Kirby–Bauer (antibacterial activity) methods were conducted. Acetone–water (7:3) was the most effective solvent, with three extractions yielding optimal results. Peels contained significantly higher polyphenols (7.2 ± 0.1 mg GAE/g d.w.) and antioxidant activity (2403 ± 519 µmol TE/g d.w.) than pulps. Anthocyanins were abundant in both, while antibacterial activity was more effective in peels, inhibiting Gram-positive bacteria with 25% relative inhibition, but showing no activity against Gram-negative strains. These findings highlight passion fruit peel as a rich source of bioactive compounds with strong antioxidant and antibacterial properties, particularly in intermediate and overripe stages, supporting its potential use in the development of functional ingredients for nutraceutical applications and promoting sustainable waste management. Full article
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26 pages, 4350 KiB  
Review
Magnetic Nanoparticle-Based Nano-Packaging and Nano-Freezing in Food Storage Applications
by Sayan Ganguly and Shlomo Margel
Molecules 2025, 30(17), 3453; https://doi.org/10.3390/molecules30173453 - 22 Aug 2025
Viewed by 53
Abstract
Magnetic nanoparticles (MNPs) have emerged as essential agents in food preservation, tackling significant issues related to shelf life extension, quality maintenance, and safety assurance. This thorough analysis consolidates current developments in MNP-based nano-packaging and nano-freezing technologies, emphasizing their processes, effectiveness, and commercial feasibility. [...] Read more.
Magnetic nanoparticles (MNPs) have emerged as essential agents in food preservation, tackling significant issues related to shelf life extension, quality maintenance, and safety assurance. This thorough analysis consolidates current developments in MNP-based nano-packaging and nano-freezing technologies, emphasizing their processes, effectiveness, and commercial feasibility. Metallic nanoparticles augment packaging efficacy via antibacterial properties, oxygen absorption, and real-time freshness assessment, while transforming freezing techniques by inhibiting ice crystal development and maintaining cellular integrity. Notwithstanding their potential applications, regulatory uncertainties, toxicity issues, and scalability challenges necessitate collaborative multidisciplinary approaches. We rigorously survey the technological, environmental, and safety aspects of MNP deployment in the food sector and suggest research priorities for sustainable implementation. Full article
(This article belongs to the Special Issue Novel Membranes and Coatings for Biomedical and Food Applications)
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13 pages, 1269 KiB  
Article
High-Yield Vanillin Production Through RSM-Optimized Solid-State Fermentation Process from Brewer’s Spent Grains in a Single-Use Bag Bioreactor
by Ewa Szczepańska, Witold Pietrzak and Filip Boratyński
Molecules 2025, 30(17), 3452; https://doi.org/10.3390/molecules30173452 - 22 Aug 2025
Viewed by 49
Abstract
Vanillin is the compound of great interest to the industry. It is used to augment and enhance the aroma and taste of food preparations and also as a fragrance compound in perfumes and detergents. Currently, majority of the world’s supply consists of chemically [...] Read more.
Vanillin is the compound of great interest to the industry. It is used to augment and enhance the aroma and taste of food preparations and also as a fragrance compound in perfumes and detergents. Currently, majority of the world’s supply consists of chemically synthesized or lignin-derived vanillin. The application of biocatalysis for sustainable manufacturing of food ingredients, pharmaceutical intermediates, and fine chemicals is the key concept of modern industrial biotechnology. The main goal of this research was to conduct optimization procedures aimed at intensifying the microbial hydrolysis process of the lignin-rich plant raw materials and further bioconversion of the released ferulic acid to vanillin. The tests were performed in the solid-state fermentation system with strains selected during the screening stage on agri-food by-products such as brewer’s spent grain. A specially designed single-use bag bioreactor was used to carry out the process on a preparative scale with the most effective strain. The experiment was designed using the RSM, which allowed for an increase in biosynthesis efficiency from 363 mg/kg to 1413 mg/kg (an increase of 389%). The progress of the process was controlled by the use of chromatographic techniques (HPLC) by quantitative determination of vanillin content in the obtained extracts. Full article
(This article belongs to the Section Natural Products Chemistry)
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16 pages, 1575 KiB  
Article
Development and Validation of an LC-MS/MS Method for the Simultaneous Determination of Alprazolam, Bromazepam, Clonazepam, Diazepam and Flunitrazpam in Human Urine and Its Application to Samples from Suspected Drug Abusers
by Husein Kamal, Varun Gandhi, Lina Akil, Naser F. Al-Tannak, Nicholas J. W. Rattray and Ibrahim Khadra
Molecules 2025, 30(17), 3451; https://doi.org/10.3390/molecules30173451 - 22 Aug 2025
Viewed by 92
Abstract
A simple and reliable method was developed using LC-MS/MS to quantify alprazolam, bromazepam, clonazepam, diazepam, and flunitrazepam in clinical samples. This method was validated for the simultaneous determination of alprazolam, bromazepam, clonazepam, diazepam, and flunitrazepam. It was applied to human urine samples collected [...] Read more.
A simple and reliable method was developed using LC-MS/MS to quantify alprazolam, bromazepam, clonazepam, diazepam, and flunitrazepam in clinical samples. This method was validated for the simultaneous determination of alprazolam, bromazepam, clonazepam, diazepam, and flunitrazepam. It was applied to human urine samples collected from people suspected of drug abuse in the Kuwaiti region. Formic acid in water and acetonitrile was used in mobile phase with a gradient mode of elution using C18 reverse-phase column. The instrument was operated in a positive mode with an electrospray ionization source using multiple reaction monitoring. For sample extraction, the liquid-liquid extraction technique was used. The method was validated for limit of detection, limit of quantitation, selectivity, linearity, accuracy, and precision. The concentration for limit of quantitation was 6.0 ng/mL, the linearity ranged from 2.0 to 300 ng/mL for each of the analytes, and the r2 values were ≥0.99. The accuracy was found to be within a range of 80–120% and precision had a %RSD of ≤15% for each of the analytes. The method was applied to 48 urine samples collected from those suspected of drug abuse by the Toxicology Department of the General Department of Criminal Evidence, Kuwait, and alprazolam, bromazepam, clonazepam, diazepam and flunitrazepam were identified commonly in the samples. The overall drug positivity rate obtained considering 48 samples was 93.75%. Based on these results and successful determination of alprazolam, bromazepam, clonazepam, diazepam and flunitrazepam in human urine samples from those suspected of drug abuse, this method is deemed to be suitable for its routine analysis. Full article
(This article belongs to the Section Analytical Chemistry)
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12 pages, 366 KiB  
Article
Synergistic Phenolic Compounds in Medicinal Plant Extracts: Enhanced Furin Protease Inhibition via Solvent-Specific Extraction from Lamiaceae and Asteraceae Families
by Fatime Betül Üzer, Nazlı Helvacı and Mahfuz Elmastaş
Molecules 2025, 30(17), 3450; https://doi.org/10.3390/molecules30173450 - 22 Aug 2025
Viewed by 191
Abstract
This study aimed to evaluate the inhibitory potential of phenolic-rich extracts from selected medicinal plants belonging to the Lamiaceae and Asteraceae families against the furin protease enzyme, a key target in viral and oncogenic pathways. Extracts of Origanum vulgare, Thymus vulgaris, [...] Read more.
This study aimed to evaluate the inhibitory potential of phenolic-rich extracts from selected medicinal plants belonging to the Lamiaceae and Asteraceae families against the furin protease enzyme, a key target in viral and oncogenic pathways. Extracts of Origanum vulgare, Thymus vulgaris, Mentha piperita, Mentha spicata, Salvia officinalis, and Silybum marianum were prepared using hexane, chloroform, and ethyl acetate. Phenolic compounds were quantified using High-Performance Liquid Chromatography (HPLC). Furin inhibition was assessed spectrophotometrically and analyzed statistically with multivariate approaches. The chloroform extract of Origanum vulgare exhibited 97.44 ± 0.12% inhibition, while the ethyl acetate extract of Mentha spicata showed 97.44 ± 0.08% inhibition. Epicatechin and rutin displayed significant synergistic effects, while naringenin negatively affected inhibition (p < 0.05). Solvent polarity significantly influenced phenolic diversity and biological activity, with ternary combinations showing 33% higher inhibition than single compounds. These findings highlight phenolic blends as promising natural furin inhibitors, with chloroform being optimal for broad-spectrum extraction. Full article
(This article belongs to the Special Issue Pharmacological Activities of Bioactive Compounds in Plants and Foods as Therapeutic Agents)
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