Molecules

33 pages, 3819 KiB

Open AccessReview

Phytotherapy and the Role of Bioactive Compounds in Modulating Mechanisms of Overweight and Obesity Comorbid with Depressive Symptoms—A Scoping Review of Mechanisms of Action

by Klaudia Sochacka and Sabina Lachowicz-Wiśniewska

Molecules 2025, 30(13), 2827; https://doi.org/10.3390/molecules30132827 (registering DOI) - 30 Jun 2025

Abstract

Obesity and depression frequently coexist, sharing overlapping molecular pathways such as inflammation, oxidative stress, gut microbiota dysbiosis, and neuroendocrine dysfunction. Recent research highlights the therapeutic potential of plant-derived bioactive compounds in targeting these shared mechanisms. This scoping review followed Preferred Reporting Items for [...] Read more.

Obesity and depression frequently coexist, sharing overlapping molecular pathways such as inflammation, oxidative stress, gut microbiota dysbiosis, and neuroendocrine dysfunction. Recent research highlights the therapeutic potential of plant-derived bioactive compounds in targeting these shared mechanisms. This scoping review followed Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines and included 261 peer-reviewed studies identified through PubMed, Scopus, and the Web of Science up to December 2024. Studies were screened based on predefined inclusion and exclusion criteria. This review synthesizes data from peer-reviewed studies, including both preclinical and clinical investigations, focusing on polyphenols, flavonoids, alkaloids, and other phytochemicals with anti-inflammatory, antioxidant, neuroprotective, and metabolic effects. Compounds such as quercetin, epigallocatechin gallate (EGCG), resveratrol, curcumin, anthocyanins, and luteolin demonstrate promise in modulating adenosine monophosphate-activated protein kinase (AMPK), brain-derived neurotrophic factor (BDNF), nuclear factor kappa B (NF-κB), and gut–brain axis pathways. Our scoping review, conducted in accordance with PRISMA guidelines, identifies promising combinations and mechanisms for integrative phytotherapy. These findings underscore the potential of botanical strategies in developing future interventions for metabolic and mood comorbidities. Full article

(This article belongs to the Special Issue Bioactive Compounds from Foods for Health Benefits)

15 pages, 1511 KiB

Open AccessArticle

Ferrocenyl Substituted Stannanethione and Stannaneselone

by Keisuke Iijima, Koh Sugamata and Takahiro Sasamori

Molecules 2025, 30(13), 2826; https://doi.org/10.3390/molecules30132826 (registering DOI) - 30 Jun 2025

Abstract

Heavier element analogues of a ketone, a C=O double-bond compound, have been fascinating compounds from the viewpoint of main-group element chemistry because of their unique structural features and reactivity as compared with those of a ketone, which plays an important role in organic [...] Read more.

Heavier element analogues of a ketone, a C=O double-bond compound, have been fascinating compounds from the viewpoint of main-group element chemistry because of their unique structural features and reactivity as compared with those of a ketone, which plays an important role in organic chemistry. We will report here the synthesis of diorgano-stannanethione and stannaneselone featuring tin–chalcogen double bonds, which are the heavy-element analogues of a ketone. The newly obtained stannaneselone has been structurally characterized by spectroscopic analyses and single-crystal X-ray diffraction (SC-XRD) analysis, showing the short Sn–Se bond length featuring π-bond character. The obtained bis(ferrocenyl)stannanechalcogenones were found to undergo [2+4]cycloaddition reactions with 2,3-dimethyl-1,3-butadiene, affording the corresponding six-membered ring compound. Notably, thermolysis of the [2+4]cycloadduct of the stannaneselone regenerated the stannaneselone via the retro[2+4]cycloaddition, whereas the sulfur analogue was thermally very stable. Full article

(This article belongs to the Special Issue Inorganic Chemistry in Asia)

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24 pages, 1597 KiB

Open AccessReview

Exploring the Aroma Profile of Traditional Sparkling Wines: A Review on Yeast Selection in Second Fermentation, Aging, Closures, and Analytical Strategies

by Sara Sofia Pinheiro, Francisco Campos, Maria João Cabrita and Marco Gomes da Silva

Molecules 2025, 30(13), 2825; https://doi.org/10.3390/molecules30132825 - 30 Jun 2025

Abstract

Sparkling wine is a complex alcoholic beverage with high economic value, produced through a secondary fermentation of a still wine, followed by a prolonged aging period that may last from nine months to several years. With the growing global demand for high-quality sparkling [...] Read more.

Sparkling wine is a complex alcoholic beverage with high economic value, produced through a secondary fermentation of a still wine, followed by a prolonged aging period that may last from nine months to several years. With the growing global demand for high-quality sparkling wines, understanding the biochemical mechanisms related to aroma development has become increasingly relevant. This review provides a comprehensive overview of the secondary fermentation process, with particular emphasis on yeast selection, types of closure, and the impact of aging on the volatile composition. Special attention is also given to the analytical strategies employed for the identification and quantification of target compounds in sparkling wine matrices. Due to the presence of volatile compounds at trace levels, effective extraction and pre-concentration techniques are essential. Extraction methods such as solid-phase microextraction (SPME), stir-bar sorptive extraction (SBSE), and thin-film SPME (TF-SPME) are discussed, as well as chromatographic techniques, such as gas chromatography (GC) and liquid chromatography (LC). Full article

(This article belongs to the Topic Advances in Analysis of Food and Beverages, 2nd Edition)

33 pages, 748 KiB

Open AccessReview

Ketamine—From an Anesthetic to a Psychiatric Drug: Mechanisms of Action, Clinical Applications and Potential Risks

by Ewa Gibuła-Tarłowska, Anna Wiszniewska, Magdalena Turyk, Paulina Szymczyk, Jolanta H. Kotlińska and Ewa Kędzierska

Molecules 2025, 30(13), 2824; https://doi.org/10.3390/molecules30132824 - 30 Jun 2025

Abstract

Ketamine, originally developed as an anesthetic, is gaining increasing attention due to its multifaceted pharmacological properties. In addition to its use in anesthesia, ketamine exerts potent analgesic effects via N-methyl-D-aspartate (NMDA) receptor antagonism, modulating pain perception and reducing central sensitization, particularly in chronic [...] Read more.

Ketamine, originally developed as an anesthetic, is gaining increasing attention due to its multifaceted pharmacological properties. In addition to its use in anesthesia, ketamine exerts potent analgesic effects via N-methyl-D-aspartate (NMDA) receptor antagonism, modulating pain perception and reducing central sensitization, particularly in chronic and neuropathic pain conditions. Emerging evidence also supports ketamine’s potential in the treatment of substance use disorder, where it may disrupt maladaptive reward-related memories and promote neuroplasticity which facilitates behavioral change. Moreover, in recent years, S-ketamine has shown rapid and potent antidepressant effects, especially in treatment-resistant depression (TRD), probably due to increased glutamatergic signaling, synaptic plasticity and the release of neurotrophic factors. This heterogeneous therapeutic profile positions ketamine as a unique agent at the interface of anesthesia, pain management, addiction medicine and psychiatry, warranting further exploration into its mechanism and long-term effectiveness. Full article

22 pages, 1940 KiB

Open AccessArticle

Polysorbate 80 Differentially Impacts Erinacine Production Profiles in Submerged Cultures of Hericium

by Abigail Veronica Smith, Honghui Zhu, Lili Mats and Gale Bozzo

Molecules 2025, 30(13), 2823; https://doi.org/10.3390/molecules30132823 (registering DOI) - 30 Jun 2025

Abstract

The mycelia of Hericium erinaceus contain neuroprotective cyathane diterpenoids (e.g., erinacine A). There is evidence that cultivation of submerged mycelia with surfactants increases glucose uptake and biomass, but the impact on erinacine production is unknown. Here, we tested the impact of glucose and [...] Read more.

The mycelia of Hericium erinaceus contain neuroprotective cyathane diterpenoids (e.g., erinacine A). There is evidence that cultivation of submerged mycelia with surfactants increases glucose uptake and biomass, but the impact on erinacine production is unknown. Here, we tested the impact of glucose and polysorbate 80 on the mycelial erinacine profiles of five Hericium strains cultivated under submergence, including those of Hericium erinaceus, Hericium americanum, and Hericium coralloides. Metabolite profiling confirmed that mycelial extracts contained more than 99% of the erinacines A, C and P in additive-free cultures of all strains, with the remainder secreted to the culture medium. Overall, erinacine P production was several orders of magnitude greater than that of the other erinacines, except for H. erinaceus (DAOMC 251029), where erinacine C was most evident. H. coralloides (DAOMC 251017) produced the greatest concentrations of erinacines A and P. For the most part mycelial erinacine concentrations were reduced in cultures co-supplemented with glucose and polysorbate 80. This treatment caused an 83–100% reduction in the concentrations of erinacines A, C, and P in the mycelial extracts of most strains. By contrast, there was evidence that glucose and polysorbate 80 had no effect on erinacine A production within mycelia of H. americanum, and erinacine P concentrations in H. erinaceus (DAOMC 251029) and H. americanum (DAOMC 251011). In most strains, the secretion of erinacines to the culture medium declined with glucose and polysorbate 80. Conversely, these additives increased the concentrations of erinacines C and P in the culture medium filtrate of H. americanum (DAOMC 21467) and yielded more secreted erinacine P in H. erinaceus (DAOMC 251029). The information provides feasible strategies to produce mycelia with unique erinacine profiles including those rich in erinacine P. Full article

(This article belongs to the Special Issue Biochemically Active Natural and Semisynthetic Products: Extraction, Characterization, and Application)

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20 pages, 4816 KiB

Open AccessArticle

Exploring the Structural Design, Antibacterial Activity, and Molecular Docking of Newly Synthesized Zn(II) Complexes with NNO-Donor Carbazate Ligands

by Claudia C. Gatto, Daniel J. de Siqueira, Eduardo de A. Duarte, Érica C. M. Nascimento, João B. L. Martins, Mariana B. Santiago, Nagela B. S. Silva and Carlos H. G. Martins

Molecules 2025, 30(13), 2822; https://doi.org/10.3390/molecules30132822 - 30 Jun 2025

Abstract

The present work reports the synthesis and structural design of three novel Zn(II) complexes [Zn(L¹)(CH₃COO)(H₂O)] (1), [Zn(L²)₂] (2), and [Zn(L³)₂] (3) with carbazate ligands, 2-acetylpyridine-methylcarbazate (HL¹), 2-acetylpyridine-ethylcarbazate [...] Read more.

The present work reports the synthesis and structural design of three novel Zn(II) complexes [Zn(L¹)(CH₃COO)(H₂O)] (1), [Zn(L²)₂] (2), and [Zn(L³)₂] (3) with carbazate ligands, 2-acetylpyridine-methylcarbazate (HL¹), 2-acetylpyridine-ethylcarbazate (HL²), and 2-acetylpyridine-benzylcarbazate (HL³). All compounds were characterized by spectroscopic methods, and the crystal structures of the complexes were elucidated by single-crystal X-ray. Based on the analysis, distorted square pyramid geometry is suggested for complex (1) and an octahedral geometry is suggested for complexes (2) and (3) with the ligands exhibiting an NNO-donor system. The 3D Hirshfeld surface and the 2D fingerprint plot were used to study the non-covalent interactions in the crystal structures. The in vitro antibacterial investigation of the free ligands and their complexes was performed against different strains of periodontopathogen bacteria. The Zn(II) complexes showed more potent antibacterial activity than the free ligand. Molecular docking studies showed the metal complexes as promising candidates for further therapeutic exploration, particularly in targeting the ATP-binding cassette transporter with peptidase domain of the cariogenic bacteria S. mutans (PDB code 5XE9) and the prolyl tripeptidyl aminopeptidase from P. gingivalis anaerobic bacteria (PDB code 2EEP) inhibition. Full article

(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Inorganic Chemistry)

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21 pages, 4137 KiB

Open AccessReview

Ribosomally Synthesized and Post-Translationally Modified Peptides Assembled by ThiF-Like Adenylyltransferases: Recent Advances and Future Perspectives

by Shaozhou Zhu, Yan Liu, Hang Wang, Jiabei Sun, Jing Yao and Haiwei Huang

Molecules 2025, 30(13), 2821; https://doi.org/10.3390/molecules30132821 - 30 Jun 2025

Abstract

Advances in whole genome sequencing have transformed GenBank into a veritable goldmine of uncharacterized and predicted proteins, many of which still await functional characterization. Notably, natural product biosynthetic pathways are often organized in gene clusters, unlocking thrilling avenues for the discovery of novel [...] Read more.

Advances in whole genome sequencing have transformed GenBank into a veritable goldmine of uncharacterized and predicted proteins, many of which still await functional characterization. Notably, natural product biosynthetic pathways are often organized in gene clusters, unlocking thrilling avenues for the discovery of novel metabolites and distinctive enzymatic reactions. In this review, we focus on the versatile ThiF-like adenylyltransferase superfamily (TLATs), a group of enzymes essential for the biosynthesis of a diverse array of ribosomally synthesized and post-translationally modified peptides (RiPPs). Recent researches have revealed that TLATs are widespread in numerous yet uncharacterized RiPP biosynthetic pathways, highlighting significant gaps in our understanding of their extensive catalytic potential. Here, we critically review the latest insights into RiPP gene clusters containing these enzymes, discussing the natural products they generate, their enzymatic functions, catalytic mechanisms, and promising directions for future research. Full article

(This article belongs to the Section Chemical Biology)

11 pages, 3435 KiB

Open AccessArticle

Influence of Cr- and Co-Doped CaO on Adsorption Properties: DFT Study

by Wei Shi, Renwei Li, Haifeng Yang, Dehao Kong and Qicheng Chen

Molecules 2025, 30(13), 2820; https://doi.org/10.3390/molecules30132820 - 30 Jun 2025

Abstract

Using the combination of Concentrated solar power (CSP) and calcium looping (CaL) technology is an effective way to solve the problems of intermittent solar energy, but calcium-based materials are prone to sintering due to the densification of the surface structure during high-temperature cycling. [...] Read more.

Using the combination of Concentrated solar power (CSP) and calcium looping (CaL) technology is an effective way to solve the problems of intermittent solar energy, but calcium-based materials are prone to sintering due to the densification of the surface structure during high-temperature cycling. In this study, the enhancement mechanism of Co and Cr doping in terms of the adsorption properties of CaO was investigated by Density Functional Theory (DFT) calculations. The results indicate that Co and Cr doping shortens the bond length between metal and oxygen atoms, enhances covalent bonding interactions, and reduces the oxygen vacancy formation energy. Meanwhile, the O²⁻ diffusion energy barrier decreased from 4.606 eV for CaO to 3.648 eV for Co-CaO and 2.854 eV for Cr-CaO, which promoted CO₂ adsorption kinetics. The CO₂ adsorption energy was significantly increased in terms of the absolute value, and a partial density of states (PDOS) analysis indicated that doping enhanced the C-O orbital hybridization strength. In addition, Ca₄O₄ cluster adsorption calculations indicated that the formation of stronger metal–oxygen bonds on the doped surface effectively inhibited particle migration and sintering. This work reveals the mechanisms of transition metal doping in optimizing the electronic structure of CaO and enhancing CO₂ adsorption performance and sintering resistance, which provides a theoretical basis for the design of efficient calcium-based sorbents. Full article

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22 pages, 2102 KiB

Open AccessArticle

Antihyperglycemic Activity of Alchemilla viridiflora Herb Methanol Extract in Streptozotocin-Induced Diabetic Male Rats

by Jelena S. Radović Selgrad, Dušan J. Ušjak, Marina T. Milenković, Neda Lj. Milinković, Radmila M. Janković, Jovan B. Jevtić, Ksenija S. Mileski, Marjan S. Niketić and Tatjana D. Kundaković-Vasović

Molecules 2025, 30(13), 2819; https://doi.org/10.3390/molecules30132819 - 30 Jun 2025

Abstract

Based on the traditional use of Alchemilla L. species for the treatment of diabetes, the effect of the methanol extract of Alchemilla viridiflora (AVM) on enzyme activity in vitro and its impact on blood glucose levels in vivo were investigated. Diabetes was induced [...] Read more.

Based on the traditional use of Alchemilla L. species for the treatment of diabetes, the effect of the methanol extract of Alchemilla viridiflora (AVM) on enzyme activity in vitro and its impact on blood glucose levels in vivo were investigated. Diabetes was induced in male Sprague-Dawley rats using streptozotocin. AVM was administered to both normal and STZ-diabetic rats for 20 days at three different doses. Blood glucose levels and body weights of the treated animals were monitored throughout the experiment. After 20 days, serum insulin, cholesterol, triglycerides, and high- and low-density lipoproteins were measured. In addition, a histological analysis of the pancreas was performed. The AVM demonstrated inhibitory effects on the activities of all tested enzymes. In the in vivo experiment, a statistically significant reduction in body weight was observed in the AVM-treated animals at all three doses compared with the normal control group. Notably, a dose of 200 mg/kg significantly decreased blood glucose levels on both the 10th day and 20th day (p < 0.05). However, the extract showed no statistically significant effects on the tested biochemical parameters. Overall, the results of this study suggest that AVM has potential for the treatment of hyperglycemia associated with diabetes and obesity. Full article

(This article belongs to the Special Issue Bioelements and Bioactive Metabolites of Natural Origin—Health-Promoting Applications—Second Edition)

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43 pages, 16386 KiB

Open AccessReview

Recent Advances in Multi-Atom Catalysts for Sustainable Energy Applications

by Qing Wang, Bo Cheng, Shichang Cai, Xiaoxiao Li, Di Lu, Naying Zhang, Chaoqun Chen, Hanlu Zhang, Yagang Feng, Lei Duan, Shaoyong Qin and Zihan Meng

Molecules 2025, 30(13), 2818; https://doi.org/10.3390/molecules30132818 - 30 Jun 2025

Abstract

Single-atom catalysts characterized by their novel electronic configurations and exceptional atomic utilization efficiency have emerged as potential alternatives to costly noble metal catalysts, garnering extensive research attention in various electrocatalytic fields. However, the inherent characteristics of single metal centers constrain their further application [...] Read more.

Single-atom catalysts characterized by their novel electronic configurations and exceptional atomic utilization efficiency have emerged as potential alternatives to costly noble metal catalysts, garnering extensive research attention in various electrocatalytic fields. However, the inherent characteristics of single metal centers constrain their further application in catalyzing multi-electron reactions. In contrast, multi-atom catalysts (MACs), particularly dual-atom catalysts (DACs), possess multiple active metal sites that can significantly enhance catalytic performance through synergistic effects. This review summarizes recent developments in multi-atom catalysts, focusing on synthesis methods, design strategies, and the correlation between interatomic synergy and catalytic efficiency. Furthermore, we discuss their applications in key electrochemical reactions, including the hydrogen evolution reaction, oxygen reduction reaction, and oxygen evolution reaction. Finally, we outline the opportunities and challenges in this field to guide the development of high-efficiency catalysts for sustainable energy conversion applications. Full article

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21 pages, 1192 KiB

Open AccessArticle

Insights into the Silver Camphorimine Complexes Interactions with DNA Based on Cyclic Voltammetry and Docking Studies

by Joana P. Costa, Gonçalo C. Justino, Fernanda Marques and M. Fernanda N. N. Carvalho

Molecules 2025, 30(13), 2817; https://doi.org/10.3390/molecules30132817 - 30 Jun 2025

Abstract

Cyclic voltammetry (CV) is an accessible, readily available, non-expensive technique that can be used to search for the interaction of compounds with DNA and detect the strongest DNA-binding from a set of compounds, therefore allowing for the optimization of the number of cytotoxicity [...] Read more.

Cyclic voltammetry (CV) is an accessible, readily available, non-expensive technique that can be used to search for the interaction of compounds with DNA and detect the strongest DNA-binding from a set of compounds, therefore allowing for the optimization of the number of cytotoxicity assays. Focusing on this electrochemical approach, the study of twenty-seven camphorimine silver complexes of six different families was performed aiming at detecting interactions with calf thymus DNA (CT-DNA). All of the complexes display at least two cathodic waves attributed respectively to the Ag(I)"Ag(0) (higher potential) and ligand based (lower potential) reductions. In the presence of CT-DNA, a negative shift in the potential of the Ag(I)"Ag(0) reduction was observed in all cases. Additional changes in the potential of the waves, attributed to the ligand-based reduction, were also observed. The formation of a light grey product adherent to the Pt electrode in the case of {Ag(OH)} and {Ag₂(µ-O)} complexes further corroborates the interaction of the complexes with CT-DNA detected by CV. The morphologic analysis of the light grey material was made by scanning electronic microscopy (SEM). The magnitude of the shift in the potential of the Ag(I)"Ag(0) reduction in the presence of CT-DNA differs among the families of the complexes. The complexes based on {Ag(NO₃)} exhibit higher potential shifts than those based on {Ag(OH)}, while the characteristics of the ligand (^AL-Y, ^BL-Y, ^CL-Z) and the imine substituents (Y,Z) fine-tune the potential shifts. The energy values calculated by docking corroborate the tendency in the magnitude of the interaction between the complexes and CT-DNA established by the reaction coefficient ratios (Q_[Ag-DNA]/Q_[Ag]). The molecular docking study extended the information regarding the type of interaction beyond the usual intercalation, groove binding, or electrostatic modes that are typically reported, allowing a finer understanding of the non-covalent interactions involved. The rationalization of the CV and cytotoxicity data for the Ag(I) camphorimine complexes support a direct relationship between the shifts in the potential and the cytotoxic activities of the complexes, aiding the decision on whether the cytotoxicity of a complex from a family is worthy of evaluation. Full article

(This article belongs to the Special Issue Metal-Based Drugs: Past, Present and Future, 3rd Edition)

19 pages, 1223 KiB

Open AccessReview

Research Progress on the Isolation, Purification, Structural Characteristics and Biological Activity Mechanism of Pleurotus citrinopileatus Polysaccharides

by Zixu Liu and Honglei Wang

Molecules 2025, 30(13), 2816; https://doi.org/10.3390/molecules30132816 - 30 Jun 2025

Abstract

Pleurotus citrinopileatus, a valuable edible fungus characterized by its distinctive light yellow coloration and saprophytic growth on elm wood, has garnered increasing scientific interest due to its diverse bioactive constituents. Among these, polysaccharides derived from P. citrinopileatus (PCPs) have received the most [...] Read more.

Pleurotus citrinopileatus, a valuable edible fungus characterized by its distinctive light yellow coloration and saprophytic growth on elm wood, has garnered increasing scientific interest due to its diverse bioactive constituents. Among these, polysaccharides derived from P. citrinopileatus (PCPs) have received the most extensive research attention. This review summarizes recent advances in the chemical structure and biological activities of PCPs. Structurally, PCPs are primarily composed of repeating units such as →3)-α-D-Glcp-(1→ and →6)-α-D-Galp-(1→. Functionally, PCPs exhibit a range of bioactivities, including immunomodulatory, hypoglycemic, and antitumor effects. Furthermore, the underlying mechanisms associated with these biological activities are also explored. This review aims to provide a comprehensive reference for future studies and facilitate the development and application of PCPs as potential functional food ingredients or therapeutic agents. Full article

13 pages, 2581 KiB

Open AccessArticle

Triazine Calixarene as a Dual-Channel Chemosensor for the Reversible Detection of Cu²⁺ and I⁻ Ions via Water Content Modulation

by Fuyong Wu, Long Chen, Mei Yu, Liang Zhao, Lu Jiang, Tianzhu Shi, Ju Guo, Huayan Zheng, Ruixiao Wang and Mingrui Liao

Molecules 2025, 30(13), 2815; https://doi.org/10.3390/molecules30132815 - 30 Jun 2025

Abstract

Rationally designing and synthesizing chemosensors capable of simultaneously detecting both anions and cations via water content modulation is challenging. In this study, we synthesized and characterized a novel triazine calixarene derivative-based iodide and copper ion-selective fluorescent “turn-off” sensor. This dual-channeled fluorescent probe is [...] Read more.

Rationally designing and synthesizing chemosensors capable of simultaneously detecting both anions and cations via water content modulation is challenging. In this study, we synthesized and characterized a novel triazine calixarene derivative-based iodide and copper ion-selective fluorescent “turn-off” sensor. This dual-channeled fluorescent probe is able to recognize Cu²⁺ and I⁻ ions simultaneously in aqueous systems. The fluorescent sensor s4 was synthesized by displacement reaction of acridine with 1, 3-bis (dichloro-mono-triazinoxy) benzene in acetonitrile. Mass spectrometry (MS), UV-vis, and fluorescence spectra were acquired to characterize the fluorescence response of s4 to different cations and anions, while infrared (IR) spectroscopy and isothermal titration calorimetry (ITC) were employed to study the underlying selectivity mechanism of s4 to Cu²⁺ and I⁻. In detail, s4 displayed extremely high sensitivity to Cu²⁺ with over 80% fluorescence decrement caused by the paramagnetic nature of Cu²⁺ in the aqueous media. The reversible fluorescence response to Cu²⁺ and the responses to Cu²⁺ in the solution of other potential interferent cations, such as Li⁺, Na⁺, K⁺, Ca²⁺, Cd²⁺, Zn²⁺, Sr²⁺, Ni²⁺, Co²⁺ were also investigated. Probe s4 also exhibited very good fluorescence selectivity to iodide ions under various anion (F⁻, Cl⁻, Br⁻, NO₃⁻, HSO₄⁻, ClO₄⁻, PF₆⁻, AcO⁻, H₂PO₄⁻) interferences. In addition to the fluorescent response to I⁻, s4 showed a highly selective naked-eye-detectable color change from colorless to yellow with the other tested anions. Full article

(This article belongs to the Special Issue Advanced Luminescent Materials: From Design, Synthesis, Fluorescent Mechanism to Applications)

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19 pages, 1172 KiB

Open AccessArticle

Polymorphism and Phase-Transition Thermodynamic Properties of Phenazone (Antipyrine)

by Dmitrii N. Bolmatenkov, Ilyas I. Nizamov, Andrey A. Sokolov, Airat A. Notfullin, Boris N. Solomonov and Mikhail I. Yagofarov

Molecules 2025, 30(13), 2814; https://doi.org/10.3390/molecules30132814 - 30 Jun 2025

Abstract

In this work, detailed information on the phase-transition thermodynamics of the analgesic and antipyretic drug phenazone, also known as antipyrine, is reported. It was found that the compound forms two polymorphs. Fusion thermodynamics of both forms was studied between 298.15 K and T [...] Read more.

In this work, detailed information on the phase-transition thermodynamics of the analgesic and antipyretic drug phenazone, also known as antipyrine, is reported. It was found that the compound forms two polymorphs. Fusion thermodynamics of both forms was studied between 298.15 K and T_m using the combination of differential scanning calorimetry and solution calorimetry. The vapor pressures above crystalline and liquid phenazone were measured for the first time using thermogravimetry—fast scanning calorimetry technique. These studies were complemented by computation of the ideal gas entropy and heat capacity and by measurements of the condensed phase heat capacities. On the basis of experiments performed, we derived sublimation and vaporization enthalpies and vapor pressure above liquid and both crystalline modifications of phenazone in a wide range of temperatures. Full article

(This article belongs to the Section Physical Chemistry)

22 pages, 532 KiB

Open AccessReview

An Overview of α-Pyrones as Phytotoxins Produced by Plant Pathogen Fungi

by Antonio Evidente

Molecules 2025, 30(13), 2813; https://doi.org/10.3390/molecules30132813 - 30 Jun 2025

Abstract

Crop diseases negatively affect the quality and quantity of agricultural products, with significant economic and social consequences. These problems become emergencies in a world where the safe production of food for human health is becoming increasingly pressing. Microorganisms, including phytopathogenic fungi, are the [...] Read more.

Crop diseases negatively affect the quality and quantity of agricultural products, with significant economic and social consequences. These problems become emergencies in a world where the safe production of food for human health is becoming increasingly pressing. Microorganisms, including phytopathogenic fungi, are the main organisms responsible for these diseases, which cause devastating damage. Environmental pollution generated by human activities causes further significant reductions in agricultural production, as well as the expansion of metropolitan areas, and climate change. Phytotoxins produced by pathogenic fungi play a fundamental role in the induction of diseases by directly interfering with the physiological processes of agricultural plants. They are secondary metabolites that can belong to all the different classes of natural compounds, and their structures and biological activities have been extensively studied. These substances have often been shown to possess other interesting biological activities for potential applications both in agriculture and in other fields, such as biotechnology and medicine. This review focuses on phytotoxic α-pyrones produced by plant pathogenic fungi, describing in detail all their chemical and biological properties and, in some cases, the results of studies on their structure-activity relationship and on the potential practical applications in various sectors. Full article

(This article belongs to the Special Issue Natural Products Chemistry: Advances in Synthetic, Analytical and Bioactivity Studies, Volume II)

18 pages, 3303 KiB

Open AccessArticle

Crucian Carp-Derived ACE-Inhibitory Peptides with In Vivo Antihypertensive Activity: Insights into Bioactivity, Mechanism, and Safety

by Runxi Han, Jingshan Tian, Yingge Han, Guoxiang Wang, Guanghong Zhou, Chen Dai and Chong Wang

Molecules 2025, 30(13), 2812; https://doi.org/10.3390/molecules30132812 - 30 Jun 2025

Abstract

This study explores the identification, characterization, and biological evaluation of angiotensin I-converting enzyme (ACE)-inhibitory peptides derived from enzymatic hydrolysates of crucian carp swim bladders. Following sequential purification by size-exclusion and reversed-phase chromatography, two bioactive peptides—Hyp-Gly-Ala-Arg (Hyp-GAR) and Gly-Ala-Hyp-Gly-Ala-Arg (GA-Hyp-GAR)—were identified using ultra-high-performance liquid [...] Read more.

This study explores the identification, characterization, and biological evaluation of angiotensin I-converting enzyme (ACE)-inhibitory peptides derived from enzymatic hydrolysates of crucian carp swim bladders. Following sequential purification by size-exclusion and reversed-phase chromatography, two bioactive peptides—Hyp-Gly-Ala-Arg (Hyp-GAR) and Gly-Ala-Hyp-Gly-Ala-Arg (GA-Hyp-GAR)—were identified using ultra-high-performance liquid chromatography coupled with linear ion trap–Orbitrap tandem mass spectrometry. The synthetic peptides demonstrated potent ACE-inhibitory activity in vitro, with IC₅₀ values of 12.2 μM (Hyp-GAR) and 4.00 μM (GA-Hyp-GAR). Molecular docking and enzyme kinetics confirmed competitive inhibition through key interactions with ACE active site residues and zinc coordination. In vivo antihypertensive activity was evaluated in spontaneously hypertensive rats, revealing that GA-Hyp-GAR significantly reduced systolic blood pressure in a dose-dependent manner. At a dose of 36 mg/kg, GA-Hyp-GAR reduced systolic blood pressure by 60 mmHg—an effect comparable in magnitude and timing to that of captopril. Mechanistically, GA-Hyp-GAR modulated levels of angiotensin II, bradykinin, endothelial nitric oxide synthase, and nitric oxide. A 90-day subchronic oral toxicity study in mice indicated no significant hematological, biochemical, or histopathological alterations, supporting the peptide’s safety profile. These findings suggest that GA-Hyp-GAR is a promising natural ACE inhibitor with potential application in functional foods or as a nutraceutical for hypertension management. Full article

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25 pages, 2424 KiB

Open AccessArticle

Chemical, Sensory, and Nutraceutical Profiling, and Shelf-Life Assessment of High-Quality Extra Virgin Olive Oil Produced in a Local Area near Florence (Italy)

by Carlotta Breschi, Lorenzo Cecchi, Federico Mattagli, Bruno Zanoni, Tommaso Ugolini, Francesca Ieri, Luca Calamai, Maria Bellumori, Nadia Mulinacci, Fabio Boncinelli, Valentina Canuti and Silvio Menghini

Molecules 2025, 30(13), 2811; https://doi.org/10.3390/molecules30132811 - 30 Jun 2025

Abstract

Consumers are increasingly willing to pay a premium for high-quality extra virgin olive oils (HQ-EVOOs) with specific sensory or nutraceutical properties, and originating from particular botanical or geographical origins. Regarding geographic origin, Italy is one of the main producers, with many local production [...] Read more.

Consumers are increasingly willing to pay a premium for high-quality extra virgin olive oils (HQ-EVOOs) with specific sensory or nutraceutical properties, and originating from particular botanical or geographical origins. Regarding geographic origin, Italy is one of the main producers, with many local production areas, each characterized by its own distinctive typicity. The aim of this study is the chemical, sensory, and nutraceutical profiling of HQ-EVOO produced over two production years in Montespertoli (province of Florence) by 12 producers involved in the “MontEspertOlio” project, funded by the Tuscan Region. Oils were produced based on a production process previously defined and specifically applied to this territory. The shelf-life of the oil was also evaluated over a 12-month period. Legal quality parameters were analyzed according to EU regulation. Phenolic compounds, tocopherols, fatty acid composition, and volatile compounds were analyzed using HPLC-DAD, HPLC-FLD, HS-SPME-GC-MS, and GC-FID, respectively. Finally, sensory analysis was conducted using the Panel Test method. Results showed that Montespertoli HQ-EVOO is characterized by distinctive sensory and chemical traits that fully match consumer preferences, even across two production years characterized by different growing conditions. The shelf-life performance was excellent over 12 months, also showing a protective effect of greater bottle sizes against oxidation. Full article

(This article belongs to the Special Issue Virgin Olive Oil: Processing, Byproducts, Quality Control, and Nutraceutical Profile—3rd Edition)

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25 pages, 1414 KiB

Open AccessReview

Chlorin Activity Enhancers for Photodynamic Therapy

by Maciej Michalak, Jakub Szymczyk, Aleksandra Pawska, Marcin Wysocki, Dominika Janiak, Daniel Ziental, Marcin Ptaszek, Emre Güzel and Lukasz Sobotta

Molecules 2025, 30(13), 2810; https://doi.org/10.3390/molecules30132810 - 30 Jun 2025

Abstract

Photodynamic therapy (PDT) is a non-invasive therapeutic method with over a century of medical use, especially in dermatology, ophthalmology, dentistry, and, notably, cancer treatment. With an increasing number of clinical trials, there is growing demand for innovation in PDT. Despite being a promising [...] Read more.

Photodynamic therapy (PDT) is a non-invasive therapeutic method with over a century of medical use, especially in dermatology, ophthalmology, dentistry, and, notably, cancer treatment. With an increasing number of clinical trials, there is growing demand for innovation in PDT. Despite being a promising treatment for cancer and bacterial infections, PDT faces limitations such as poor water solubility of many photosensitizers (PS), limited light penetration, off-target accumulation, and tumor hypoxia. This review focuses on chlorins—well-established macrocyclic PSs known for their strong activity and clinical relevance. We discuss how nanotechnology addresses PDT’s limitations and enhances therapeutic outcomes. Nanocarriers like lipid-based (liposomes, micelles), polymer-based (cellulose, chitosan, silk fibroin, polyethyleneimine, PLGA), and carbon-based ones (graphene oxide, quantum dots, MOFs), and nanospheres are promising platforms that improve chlorin performance and reduce side effects. This review also explores their use in Antimicrobial Photodynamic Therapy (aPDT) against multidrug-resistant bacteria and in oncology. Recent in vivo studies demonstrate encouraging results in preclinical models using nanocarrier-enhanced chlorins, though clinical application remains limited. Full article

(This article belongs to the Section Medicinal Chemistry)

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27 pages, 4066 KiB

Open AccessArticle

Brewers’ Spent Grain from Different Types of Malt: A Comprehensive Evaluation of Appearance, Structure, Chemical Composition, Antimicrobial Activity, and Volatile Emissions

by Aleksander Hejna, Joanna Aniśko-Michalak, Katarzyna Skórczewska, Mateusz Barczewski, Paweł Sulima, Jerzy Andrzej Przyborowski, Hubert Cieśliński and Mariusz Marć

Molecules 2025, 30(13), 2809; https://doi.org/10.3390/molecules30132809 - 30 Jun 2025

Abstract

Beer is the third most popular beverage in the world, and its production is distributed uniformly between the biggest continents. Considering the environmental aspects, the utilization of brewing by-products, mainly brewers’ spent grain (BSG), is essential on a global scale. The beer revolution, [...] Read more.

Beer is the third most popular beverage in the world, and its production is distributed uniformly between the biggest continents. Considering the environmental aspects, the utilization of brewing by-products, mainly brewers’ spent grain (BSG), is essential on a global scale. The beer revolution, lasting over a few decades, significantly diversified the beer market in terms of styles, and therefore, also its by-products, which should be characterized appropriately prior to further application. Herein, the presented study investigated the unprecedented number of 22 different variants of brewers’ spent grain, yielded from the production of various beer styles, enabling their proper comparison. A comprehensive by-product characterization revealed an almost linear relationship (Pearson correlation coefficients exceeding 0.9) between the color parameters (L*, a*, browning index) of beer and generated spent grain, enabling a prediction of BSG appearance based on beer color. Applying wheat or rye malts increased the content of extractives by over 40%, reducing cellulose content by as much as 45%. Thermal treatments of malts (kilning or smoking) also reduced extractive content and limited antioxidant activity, often by over 30%. A lack of husk for wheat or rye reduced the crystallinity index of spent grain by 21–41%, while the roasting of barley efficiently decomposed the less stable compounds and maintained the cellulose crystalline structure. All the analyzed BSG samples were characterized by low volatile emissions and very limited antimicrobial activity. Therefore, their harmfulness to human health and the environment is limited, broadening their potential application range. Full article

(This article belongs to the Special Issue Re-Valorization of Waste and Food Co-Products)

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