Journal Description
Molecules
Molecules
is a leading international, peer-reviewed, open access journal of chemistry published semimonthly online by MDPI. The International Society of Nucleosides, Nucleotides & Nucleic Acids (IS3NA), Spanish Society of Medicinal Chemistry (SEQT) and International Society of Heterocyclic Chemistry (ISHC) are affiliated with Molecules and their members receive discounts on the article processing charges.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), PubMed, MEDLINE, PMC, Reaxys, CaPlus / SciFinder, MarinLit, AGRIS, and other databases.
- Journal Rank: JCR - Q2 (Biochemistry and Molecular Biology) / CiteScore - Q1 (Organic Chemistry)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 15.1 days after submission; acceptance to publication is undertaken in 2.6 days (median values for papers published in this journal in the second half of 2025).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Sections: published in 25 topical sections.
- Testimonials: See what our editors and authors say about Molecules.
- Companion journal: Foundations.
- Journal Cluster of Chemical Reactions and Catalysis: Catalysts, Chemistry, Electrochem, Inorganics, Molecules, Organics, Oxygen, Photochem, Reactions, Sustainable Chemistry.
Impact Factor:
4.6 (2024);
5-Year Impact Factor:
5.0 (2024)
Latest Articles
Biological Nanoscaffolds from Hierarchical Construction to Applications
Molecules 2026, 31(5), 812; https://doi.org/10.3390/molecules31050812 (registering DOI) - 28 Feb 2026
Abstract
Inspired by natural scaffolds, artificial scaffolds have garnered significant attention in recent years. Compared with synthetic scaffolds such as organic and polymer scaffolds, biological scaffolds from the foundational biomolecules nucleic acids (DNA/RNA) and proteins demonstrate distinct advantages in the assembly of inorganic nanoparticles
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Inspired by natural scaffolds, artificial scaffolds have garnered significant attention in recent years. Compared with synthetic scaffolds such as organic and polymer scaffolds, biological scaffolds from the foundational biomolecules nucleic acids (DNA/RNA) and proteins demonstrate distinct advantages in the assembly of inorganic nanoparticles and proteins, as well as in drug delivery. These advantages stem from their exquisite spatial structures, genetically encoded programmability, and their favorable biocompatibility, which is attributed to natural building blocks and degradable backbones that minimize long-term cytotoxicity. The intrinsic properties and structural symmetry of biomacromolecules as building blocks often determine the properties of the corresponding assemblies, and thus greatly influence their functions. In this review, we classify bottom-up constructed biological scaffolds according to these two primary constituent classes (nucleic acids and proteins) to examine their framework structures and key features. We also discuss the relevant applications of artificial bioscaffolds. As an emerging class of nanomaterial with precise structures and genetic programmability, biological scaffolds hold significant promise for future development.
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(This article belongs to the Section Applied Chemistry)
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Response of Human Red Blood Cells to Acute and Chronic Oxidant Challenge as Observed Through the Glutathione and Glutathionyl-Hemoglobin Redox Pairs In Vitro and In Vivo
by
Federico Maria Rubino
Molecules 2026, 31(5), 811; https://doi.org/10.3390/molecules31050811 (registering DOI) - 28 Feb 2026
Abstract
Glutathionyl-hemoglobin (HbSSG) reversibly forms under oxidative stress in erythrocytes, where it constitutes the main redox buffer, in a dynamic equilibrium with the thiol (GSH) and disulfide (GSSG) forms of glutathione, that quickly revert to the reduced thiols when oxidative pressure is relieved. Under
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Glutathionyl-hemoglobin (HbSSG) reversibly forms under oxidative stress in erythrocytes, where it constitutes the main redox buffer, in a dynamic equilibrium with the thiol (GSH) and disulfide (GSSG) forms of glutathione, that quickly revert to the reduced thiols when oxidative pressure is relieved. Under acute challenge, the “oxidized” GSH pool distributes between GSSG and HbSSG. Recalculation with electrochemical metrics based on redox potentials of the GSSG/GSH and HbSSG/HbSH pairs, plotted in their phase space, improves the understanding of the competing reduction processes. The first process is reduction of the GSSG pool, while, later, HbSSG reduction occurs as a two-step process. HbSSG accumulation in chronic oxidative stress follows an impairment of these steps. In 30 strong smokers, homogeneous levels of HbSSG are in the range of 2.4–11.7% (Eh −120–−95 mV), but the Eh of the GSSG/GSH redox pair is wider (−160–−240 mV), suggesting that HbSSG accumulation does not depend on GSH availability but on enzyme activity impaired by exogenous and endogenous electrophiles. As hinted by HbSSG measurements, one such species is the dehydro-alanine analog of GSH, produced both from butadiene in exposed petrochemical workers and from the drug busulfan in a treated patient. Inactivation of the low-copy recycling enzymes can thus explain the increase of HbSSG.
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(This article belongs to the Section Analytical Chemistry)
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Open AccessArticle
Effects of Different Processing Methods on the Quality and Flavor Characteristics of Shiqi Pigeon (Columba livia domestica) Meat
by
Weina Li, Xinlan Cao, Siqi Ming, Yongjie Xu, Zhuoxian Weng, Haitang Wang and Xiaonan Zhang
Molecules 2026, 31(5), 810; https://doi.org/10.3390/molecules31050810 (registering DOI) - 28 Feb 2026
Abstract
This study investigated the effects of boiling, roasting, and frying on the quality and flavor characteristics of Shiqi pigeon (Columba livia domestica) meat. Changes in color, texture, microstructure, and volatile profiles were systematically evaluated using colorimetry, texture profile analysis, scanning electron
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This study investigated the effects of boiling, roasting, and frying on the quality and flavor characteristics of Shiqi pigeon (Columba livia domestica) meat. Changes in color, texture, microstructure, and volatile profiles were systematically evaluated using colorimetry, texture profile analysis, scanning electron microscopy, electronic nose analysis, and Fourier transform infrared spectroscopy (FTIR). Thermal processing significantly influenced physicochemical properties and flavor profiles. Fried samples exhibited the highest hardness (27.79 N), chewiness (33.13 mJ), and maximum shear force (30.23 N), while boiled samples showed the lowest hardness (22.12 N) and puncture hardness (12.20 N), indicating improved tenderness. Electronic nose PCA explained 85.4% of total variance (PC1: 59.5%; PC2: 25.9%), clearly discriminating the three treatments. Color measurements showed that frying induced the greatest total color difference (ΔE > 1, p < 0.05), followed by roasting and boiling. FTIR analysis revealed pronounced shifts in amide I bands in fried samples, indicating stronger protein secondary structure alterations. Overall, different thermal processing methods produced distinct quality and flavor characteristics in pigeon meat, providing scientific guidance for process optimization and product development.
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(This article belongs to the Special Issue Aroma and Volatile Compounds from Foods)
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Open AccessArticle
Aroma Profile of Worts and Contents of Selected Mineral Elements in Brewing with Malted and Unmalted Hemp Seeds
by
Robert Duliński, Marek Zdaniewicz, Jana Lakatošová, Adam Florkiewicz, Janusz Gołaszewski and Bożena Bukowska
Molecules 2026, 31(5), 809; https://doi.org/10.3390/molecules31050809 (registering DOI) - 28 Feb 2026
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The growing interest in functional beer production has led to the exploration of unconventional raw materials, such as hemp (Cannabis sativa L.), for brewing applications. This study aimed to evaluate the volatile organic compound (VOC) profile and the macro- and microelement composition
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The growing interest in functional beer production has led to the exploration of unconventional raw materials, such as hemp (Cannabis sativa L.), for brewing applications. This study aimed to evaluate the volatile organic compound (VOC) profile and the macro- and microelement composition of barley wort enriched with varying proportions (10% and 30%) of malted and unmalted hemp seeds, using solid-phase microextraction followed by gas chromatography–mass spectrometry (SPME–GC–MS) and atomic absorption spectrometry (AAS). A total of 64 VOCs were identified across four wort variants: control (barley malt only), 10% malted hemp, 30% malted hemp, and 30% unmalted hemp. The aroma profile was significantly influenced by compounds such as 2,3-butanediol, 1-hexanol, 3-methyl-1-butanol, 3-hydroxy-2-butanone, hexanoic acid, and 4-vinylguaiacol (p < 0.001). Principal component analysis (PCA) revealed clear separation between wort types based on the relative abundance of alcohols, acids, ketones, and phenols, indicating a progressive shift from sweet/malty toward acidic, green, and herbal aroma notes as hemp addition increased. Notably, unmalted hemp seeds resulted in a pronounced dominance of hexanoic acid, which may contribute to earthy and rancid sensory attributes. The evaluation of selected mineral elements showed that the key macroelements differentiating the worts were potassium, magnesium, phosphorus, and calcium, while among the microelements the distinguishing elements were manganese, iron, and sodium. These findings demonstrate the strong modulating effect of aromatic hemp-derived materials on the aroma composition and selected mineral content of brewing worts, supporting their targeted use in novel beer formulations.
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Open AccessEditorial
Recent Advances in Development of Small Molecules to Fight Cancer—Second Edition
by
Giulia Bononi and Carlotta Granchi
Molecules 2026, 31(5), 808; https://doi.org/10.3390/molecules31050808 (registering DOI) - 28 Feb 2026
Abstract
Cancer drug discovery continues to rely on the development of small molecules able to modulate key biological processes involved in tumor initiation and progression [...]
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(This article belongs to the Special Issue Recent Advances in Development of Small Molecules to Fight Cancer—2nd Edition)
Open AccessFeature PaperArticle
Integrative Mechanistic Investigation of the Anticancer Effects of Panax notoginseng in Colorectal Cancer
by
Jaemoo Chun, Sarah Shin and Jeeyoun Jung
Molecules 2026, 31(5), 807; https://doi.org/10.3390/molecules31050807 (registering DOI) - 28 Feb 2026
Abstract
Colorectal cancer (CRC) remains a leading cause of cancer-related mortality worldwide, necessitating the development of novel multi-targeted therapeutic agents. This study investigates the anticancer effects of Panax notoginseng extract (PNE) against CRC using an integrative approach of network pharmacology and experimental validation. Phytochemical
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Colorectal cancer (CRC) remains a leading cause of cancer-related mortality worldwide, necessitating the development of novel multi-targeted therapeutic agents. This study investigates the anticancer effects of Panax notoginseng extract (PNE) against CRC using an integrative approach of network pharmacology and experimental validation. Phytochemical profiling via LC–MS identified major ginsenosides, including Rb1, Rg1, and Rd. Network pharmacology analysis revealed potential targets such as Bcl-xL, STAT3/CDK1, and IL-2, which are associated with apoptosis, cell cycle regulation, and immune modulation, respectively. Experimental results demonstrated that PNE significantly inhibited the proliferation of HCT 116 and HT-29 CRC cells, induced G0/G1 phase arrest by modulating CDK4/6 and p21/p27, and promoted apoptosis by regulating BCL2 family proteins. Furthermore, PNE treatment suppressed tumor growth in a CT26-bearing syngeneic mouse model. These findings highlight that PNE exerts potent anticancer effects through multi-pathway modulation, suggesting its potential as a therapeutic candidate for CRC.
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(This article belongs to the Special Issue Probing Pharmacological and Biological Performance of Synthetic and Natural Compounds—2nd Edition)
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Open AccessCorrection
Correction: Zhang et al. Protopine Protects Mice Against LPS-Induced Acute Kidney Injury by Inhibiting Apoptosis and Inflammation via the TLR4 Signaling Pathway. Molecules 2020, 25, 15
by
Beibei Zhang, Mengnan Zeng, Meng Li, Yuxuan Kan, Benke Li, Ruiqi Xu, Yuanyuan Wu, Shengchao Wang, Xiaoke Zheng and Weisheng Feng
Molecules 2026, 31(5), 806; https://doi.org/10.3390/molecules31050806 (registering DOI) - 28 Feb 2026
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In the original publication [...]
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Open AccessArticle
Quantitative Analysis of Bisphenol A in Commercial Beverages
by
Ana I. Freitas, Marta S. Ferreira and José C. Marques
Molecules 2026, 31(5), 805; https://doi.org/10.3390/molecules31050805 (registering DOI) - 28 Feb 2026
Abstract
Bisphenol A (BPA) is a widely used synthetic compound and a well-known endocrine-disrupting chemical that has been linked to a range of health issues and poses significant public health concern. Despite efforts to regulate its use in food-contact materials, BPA remains a significant
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Bisphenol A (BPA) is a widely used synthetic compound and a well-known endocrine-disrupting chemical that has been linked to a range of health issues and poses significant public health concern. Despite efforts to regulate its use in food-contact materials, BPA remains a significant food contaminant due to its widespread use and its ability to leach into consumer products. Therefore, it is paramount to continue monitoring this contaminant in the food supply chain. This work aims to assess human exposure by investigating the presence of BPA in beverages, including iced teas, fruit juices, water, and carbonated drinks. The analysis by liquid chromatography coupled with fluorescence detection reveals BPA above the limit of quantification in about 30% of samples, with concentrations ranging from 0.15 to 0.94 ng/mL. The highest detection frequencies are observed in iced teas and canned beverages, while water and glass-bottled drinks have the lowest BPA detection frequencies. In the future, we aim to use the results from this study as a reference to optimize a chitosan-coated optical fiber sensor as a possible alternative for rapid BPA detection. A preliminary test showed that the sensor can discriminate between BPA concentrations of 10–100 µg/mL in a real food matrix.
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(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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Open AccessArticle
Cytokinin-Regulated Enhancement of Antioxidant Phenolic Compound Accumulation in Clerodendrum spp. In Vitro Cultures
by
Jan Gomulski, Martyna Kinalska, Joanna Sodel and Izabela Grzegorczyk-Karolak
Molecules 2026, 31(5), 804; https://doi.org/10.3390/molecules31050804 - 27 Feb 2026
Abstract
This study examined shoot proliferation and phenolic compounds accumulation in Clerodendrum colebrookianum and Clerodendrum trichotomum in vitro culture. The cultures were treated with 6-benzylaminopurine (BAP), meta-topolin (M-T), or N-benzyl-9-(2-tetrahydropyranyl)adenine (BPA) (0.5, 1.0 and 2.0 mg/L), and their biomass accumulation, shoot proliferation, and phenolic
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This study examined shoot proliferation and phenolic compounds accumulation in Clerodendrum colebrookianum and Clerodendrum trichotomum in vitro culture. The cultures were treated with 6-benzylaminopurine (BAP), meta-topolin (M-T), or N-benzyl-9-(2-tetrahydropyranyl)adenine (BPA) (0.5, 1.0 and 2.0 mg/L), and their biomass accumulation, shoot proliferation, and phenolic profiles were quantitatively assessed. In C. colebrookianum, BPA and M-T at 0.5 and 1.0 mg/L yielded higher proliferation rates (11.0–12.0 shoots per explant) and biomass production than BAP. In C. trichotomum, maximal shoot multiplication was achieved with 2.0 mg/L M-T (24.47 shoots per explant), and peak biomass accumulation was achieved with 1.0 mg/L BPA. The two species demonstrated polyphenolic fingerprints, with C. colebrookianum extract containing seven polyphenols and C. trichotomum ten, predominantly represented by acteoside and related compounds. M-T treatments markedly enhanced phenolic biosynthesis, yielding a 3.3-fold increase in acteoside in C. colebrookianum (82.73 mg/g DW) at 2.0 mg/L and in C. trichotomum (41.3 mg/g DW) at 1.0 mg/L relative to controls. TOPSIS multi-criteria decision analysis, integrating growth parameters, acteoside, and total phenolic content, found the optimal supplementation to be 1.0 mg/L M-T in the presence of 0.1 mg/L IAA for both species (closeness coefficients: 0.821 and 0.792, respectively). The extracts derived from optimized cultures exhibited significant radical-scavenging and metal reduction capacity in DPPH, ABTS, FRAP, and CUPRAC assays; a stronger effect was observed for C. colebrookianum, which may be associated with acteoside enrichment. Overall, M-T and BPA were found to be superior to BAP in promoting biomass accumulation and high-value bioactive phenolic production in Clerodendrum spp. Our findings underscore the potential of in vitro culture systems as a sustainable source of antioxidant phytochemicals with prospective nutraceutical and pharmaceutical relevance.
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(This article belongs to the Special Issue Phytochemical Profiling, Bioactivity, Biotechnology Studies and Practical Applications of Medicinal and Cosmetic Plants)
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Open AccessReview
Conjugated Nitroolefins as Twofold Electrophiles for the Assembly of Five-Membered Monoheterocycles via MIRC [3+2] Annulation: An Update on Synthetic and Mechanistic Aspects
by
Lara Bianchi, Massimo Maccagno, Giovanni Petrillo and Cinzia Tavani
Molecules 2026, 31(5), 803; https://doi.org/10.3390/molecules31050803 - 27 Feb 2026
Abstract
Five-membered monoheterocycles, either isolated or embedded in more complex systems, are ubiquitous structural motifs in nature and hence privileged targets of synthetic chemistry. Among a plethora of methodologies used for their assembly, [3+2] annulation strategies keep attracting particular interest among chemists, partly because
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Five-membered monoheterocycles, either isolated or embedded in more complex systems, are ubiquitous structural motifs in nature and hence privileged targets of synthetic chemistry. Among a plethora of methodologies used for their assembly, [3+2] annulation strategies keep attracting particular interest among chemists, partly because of some significant characteristics from both the operative and the environmental viewpoints. Herein, the extensive use of conjugated nitroolefins as twofold electrophilic, two-carbon components of [3+2] MIRC (Michael-Initiated Ring Closure) annulations is reviewed as a practical and mechanistic update covering the last decade (2015–2025).
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(This article belongs to the Special Issue Synthesis, Properties and Application of Five- and Six-Membered Heterocycles)
Open AccessArticle
Polyphenolic and Mineral Composition of Functional Foods Based on Rape Honey and Dried Fruits
by
Elisabeta-Irina Geană, Claudia Sandru, Cornelia Carmen Abalaru, Mihaiela Cornea-Cipcigan and Rodica Margaoan
Molecules 2026, 31(5), 802; https://doi.org/10.3390/molecules31050802 - 27 Feb 2026
Abstract
Honey’s medicinal properties are largely attributed to its antioxidant activity, mainly derived from flavonoids, phenolic acids, and their derivatives. Fruit berries, such as goji berries, sea buckthorn, and black currant, are particularly rich in vitamins, phenolic compounds, and minerals, providing high nutritional and
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Honey’s medicinal properties are largely attributed to its antioxidant activity, mainly derived from flavonoids, phenolic acids, and their derivatives. Fruit berries, such as goji berries, sea buckthorn, and black currant, are particularly rich in vitamins, phenolic compounds, and minerals, providing high nutritional and pharmacological value. Enrichment of rapeseed honey with dried fruits significantly increased total phenolic content, with the highest value observed in honey containing goji berries (111.221 ± 20.551 mg GAE/100 g), followed by black currant (96.477 ± 31.053 mg GAE/100 g) and sea buckthorn (90.724 ± 19.72 mg GAE/100 g), compared to control honey (49.681 ± 14.44 mg GAE/100 g). Antioxidant activity, assessed by multiple assays, was markedly enhanced in functional foods based on rape honey and dried fruits, particularly those with black currant, followed by goji berries and sea buckthorn. Romanian rapeseed honey contained phenolic acids such as gallic, chlorogenic, 4-hydroxybenzoic, and 3,4-dihydroxybenzoic acids, and flavonoids including quercetin and naringin. Functional food based on rape honey and goji berries (GBH) showed the highest levels of chlorogenic and gallic acids, epicatechin, and rutin, while functional food based on rape honey and sea buckthorn (SBH) was rich in naringin and resveratrol. Functional food based on rape honey and black currant (BCH) exhibited elevated gallic acid and rutin. Potassium and magnesium were the predominant minerals in all samples. Overall, berry enrichment enhances the nutritional and antioxidant profile of honey, supporting immune function and general health.
Full article
(This article belongs to the Special Issue Biological Activity and Chemical Composition of Honeybee Products)
Open AccessReview
Current State of Knowledge of the Anticancer Properties of Polyphenolic Compounds from Garlic (Allium sativum L.)
by
Urszula Binduga and Konrad A. Szychowski
Molecules 2026, 31(5), 801; https://doi.org/10.3390/molecules31050801 - 27 Feb 2026
Abstract
Garlic (Allium sativum L.) belongs to the Allium genus and is one of the main bulbous plants consumed fresh, powdered, or cooked. Numerous studies have shown that garlic exhibits antihyperlipidaemic, antioxidant, anti-inflammatory, cardiovascular disease preventive, antihypertensive, antibacterial, antiviral, antifungal, antiparasitic, antidiabetic, anticarcinogenic,
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Garlic (Allium sativum L.) belongs to the Allium genus and is one of the main bulbous plants consumed fresh, powdered, or cooked. Numerous studies have shown that garlic exhibits antihyperlipidaemic, antioxidant, anti-inflammatory, cardiovascular disease preventive, antihypertensive, antibacterial, antiviral, antifungal, antiparasitic, antidiabetic, anticarcinogenic, hepatoprotective, immunomodulatory, and hypoglycaemic effects. Moreover, studies on polyphenols detected in garlic reveal strong anticancer properties in various cell lines. The aim of this review is to summarise the current state of knowledge regarding the anticancer properties and shared molecular mechanisms of action of garlic-derived polyphenolic compounds. Our analysis demonstrates that the polyphenol content in garlic is highly variable and depends on numerous factors, including the part of the plant, processing methods, place of cultivation, and other conditions. Additionally, garlic contains polyphenols that exhibit anticancer activity in preclinical models, the properties of which have been demonstrated in in vitro studies. The anticancer mechanism of action varies depending on the type of polyphenol. Several polyphenols from garlic such as e.g., catechin, quercetin, and kaempferol activate peroxisome proliferator-activated receptors, which appear to contribute to at least part of garlic’s anticancer activity. The primary mechanism of garlic’s anticancer properties relies on reactive oxygen species-dependent toxicity and/or apoptosis, and Nrf2 is also implicated in the mechanism of action of garlic polyphenols. Our review provides evidence that under in vitro conditions, polyphenols present in garlic may exhibit anticancer properties. Garlic is not only a valuable culinary ingredient but also a natural medicine. Regular consumption in moderate amounts may offer numerous health benefits.
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(This article belongs to the Special Issue Antioxidant, and Anti-Inflammatory Activities of Natural Plants)
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Open AccessArticle
The Application of Manganese Complexes with Some Tetraazamacrocycles Immobilized in a Nafion Layer on a Glassy Carbon Electrode in Anodic Heterogenic Electrocatalysis
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Danuta Tomczyk and Piotr Seliger
Molecules 2026, 31(5), 800; https://doi.org/10.3390/molecules31050800 - 27 Feb 2026
Abstract
Modified electrodes were obtained by immobilizing Mn3+ complexes with the following tetraazamacrocycles (1,4,7,10-tetraazacyclododecane ([12]aneN4), 1,4,8,11-tetrazacyclotetradecane ([14]aneN4), 1,4,7,11-tetrazacyclotetradecane (iso[14]aneN4), and 1,4,8,12-tetrazacyclopentadecane ([15]aneN4) in a Nafion film on the surface of a glassy carbon
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Modified electrodes were obtained by immobilizing Mn3+ complexes with the following tetraazamacrocycles (1,4,7,10-tetraazacyclododecane ([12]aneN4), 1,4,8,11-tetrazacyclotetradecane ([14]aneN4), 1,4,7,11-tetrazacyclotetradecane (iso[14]aneN4), and 1,4,8,12-tetrazacyclopentadecane ([15]aneN4) in a Nafion film on the surface of a glassy carbon electrode (GCE). Based on spectroelectrochemical, chronopotentiometric, and chronoamperometric studies, oxidation of mononuclear complexes to dinuclear di-μ-oxo complexes of Mn3+ and Mn4+ was observed, and the mechanism and influence of Nafion on this process were determined. On the basis of voltammetric and chronocoulometric studies, the electroactivity, stability, and diffusion rates of such modified electrodes were demonstrated. Based on voltammetric and chronocoulometric studies, their electrocatalytic properties were analyzed in relation to the oxidation of model compounds used in this type of research, namely, ascorbic acid, glycolaldehyde, and glycolic acid.
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(This article belongs to the Special Issue Ligands: Design, Syntheses, and Applications in Organometallic Catalysis)
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Open AccessArticle
Rapid Analysis of Phytic Acid by Paper Spray Mass Spectrometry
by
Ping Guo, Sijie Zhu and Bo Chen
Molecules 2026, 31(5), 799; https://doi.org/10.3390/molecules31050799 - 27 Feb 2026
Abstract
Phytic acid (PA), owing to its strong acidity and multidentate metal-chelating properties, readily forms multiple adduct/complex ions in mass spectrometry and is prone to pronounced matrix effects, resulting in complicated spectra and compromised sensitivity and quantitative robustness, which poses a major challenge for
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Phytic acid (PA), owing to its strong acidity and multidentate metal-chelating properties, readily forms multiple adduct/complex ions in mass spectrometry and is prone to pronounced matrix effects, resulting in complicated spectra and compromised sensitivity and quantitative robustness, which poses a major challenge for rapid and accurate PA quantification. Herein, we developed a rapid quantitative method for PA based on trimethylsilyldiazomethane (TMSD) methyl-ester derivatization coupled with paper spray mass spectrometry (PS–MS). PA was derivatized with TMSD to yield the methylated product (PA-Me), and the derivative solution was purified via “post-derivatization nitrogen blow-down followed by water reconstitution”, thereby markedly reducing background interference. In positive-ion mode, the stable sodium adduct ion [PA-Me+Na]+ (m/z 851.04) was used as the quantifier, enabling fast quantification with selected ion monitoring (SIM). PS–MS was performed with a 15 μL spotting volume and methanol/water (90/10, v/v, containing 0.1% formic acid) as the spray solvent, allowing rapid analysis without chromatographic separation. The method exhibited good linearity over 0.125–30 μg/mL (R2 ≥ 0.9965), with a limit of detection (LOD, S/N = 3) of 0.080 μg/mL and a limit of quantification (LOQ, S/N = 10) of 0.270 μg/mL. The intra-day and inter-day precision values were both < 10% (RSD), and recoveries ranged from 87.2% to 122.4%. This LC-free strategy features low solvent consumption and high analytical throughput, and was validated using rice bran protein and rice bran polysaccharide samples, providing technical support for rapid screening and quality control of PA in complex food/plant matrices.
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(This article belongs to the Special Issue Advanced Analytical Methods in Food Chemistry)
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Open AccessReview
Beyond Removal: A Critical Review of Microplastic Mass Flux, In-Plant Transformation, and Elimination in WWTPs
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Niu Imeleta Faauma, Ying Guo, Wenxin Li, Wei Wen and Bo Jiang
Molecules 2026, 31(5), 798; https://doi.org/10.3390/molecules31050798 - 27 Feb 2026
Abstract
Microplastics (MPs) persist in wastewater treatment systems owing to their durability and mobility. As critical interception points, wastewater treatment plants (WWTPs) receive MPs from diverse domestic and industrial sources. This review synthesizes peer-reviewed studies (2009–2026) to evaluate MP mass flux, in-plant transformation, and
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Microplastics (MPs) persist in wastewater treatment systems owing to their durability and mobility. As critical interception points, wastewater treatment plants (WWTPs) receive MPs from diverse domestic and industrial sources. This review synthesizes peer-reviewed studies (2009–2026) to evaluate MP mass flux, in-plant transformation, and elimination across primary, secondary, and tertiary stages. While conventional processes typically remove 60–90% of MPs, advanced tertiary technologies, such as membrane bioreactors and rapid sand filtration, can achieve efficiencies exceeding 95%. The fate of MPs is governed by density-driven settling and biological aggregation; however, the significant accumulation of MPs in sewage sludge represents a critical pathway for environmental re-entry. This review highlights key knowledge gaps, including inconsistent analytical methodologies, evidence of in-plant fragmentation generating nanoplastics (NPs), and uncertainties regarding full-scale mass flows. Furthermore, the review synthesizes mass flux data to clarify the partitioning of MPs between the effluent and sludge, identifying biosolids as a primary sink. The review concludes by proposing a transition from physical separation to elimination technologies (e.g., AOPs), alongside standardized monitoring and regulatory frameworks, to achieve sustainable reductions in MP emissions.
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(This article belongs to the Special Issue Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition)
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Open AccessArticle
Green Synthesis of Bergamot Solid Waste-Based Silver Nanoparticles: Optimization Process for Agriculture Use
by
Roberta Caridi, Maria Rosa Abenavoli, Licia Elvira Prestagiacomo, Marco Gaspari, Antonio Mauceri, Meriem Miyassa Aci, Isidoro Giorgio Lesci and Agostino Sorgonà
Molecules 2026, 31(5), 797; https://doi.org/10.3390/molecules31050797 - 27 Feb 2026
Abstract
Green-synthesized metal nanoparticles are increasingly investigated for their antioxidative, antimicrobial, and stress-protective properties as eco-friendly and cost-effective alternatives to conventional chemical synthesis. Although agri-food wastes represent biomolecule-rich and sustainable resources, they remain less explored as biological matrices for green metal nanoparticle synthesis compared
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Green-synthesized metal nanoparticles are increasingly investigated for their antioxidative, antimicrobial, and stress-protective properties as eco-friendly and cost-effective alternatives to conventional chemical synthesis. Although agri-food wastes represent biomolecule-rich and sustainable resources, they remain less explored as biological matrices for green metal nanoparticle synthesis compared with plant and microbial extracts. The aim of this study was to optimize the synthesis and evaluate the bioactivity of silver nanoparticles derived from bergamot pomace, a polyphenol-rich agri-food waste. Synthesis parameters, including extract concentration, pH, extract-to-metal ratio, temperature, and reaction time, were optimized, and the nanoparticles were characterized by UV–Vis spectroscopy, dynamic light scattering, zeta potential analysis, and electron microscopy (TEM, STEM). ATR-FTIR and proteomic analyses were employed to investigate the molecular mechanisms involved in nanoparticle reduction, capping, and stabilization. The bergamot pomace-based silver nanoparticles exhibited a surface plasmon resonance peak at 430 nm, spherical morphology, good colloidal stability, and average diameters of 15–20 nm, without irreversible aggregation. A putative synthesis mechanism was proposed, involving Ag+ bioreduction mediated by polyphenols, ascorbic acid, and oxidoreductase-associated proteins, followed by stabilization through protein corona formation. Seed nanopriming assays on tomato and lettuce, together with in vitro antimicrobial tests against Pseudomonas syringae pv. tomato and Xanthomonas campestris pv. vesicatoria, demonstrated phytostimulatory and antimicrobial effects at very low nanoparticle concentrations. Overall, this study highlights bergamot pomace as a valuable resource for green silver nanoparticle synthesis, supporting its applicability in sustainable agriculture.
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(This article belongs to the Special Issue Natural Products as Plant Protection Agents)
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Open AccessArticle
Structural Elucidation of Azo and Quinoneimine Products Formed in Diazonium-Based Color Reactions of Cannabinoids
by
Hikari Nishiguchi, Kayo Nakamura, Ryosuke Arai, Riho Hamajima, Hiroko Abe, Akihiko Ishida, Manabu Tokeshi, Kyohei Higashi, Akiyoshi Saitoh and Hideyo Takahashi
Molecules 2026, 31(5), 796; https://doi.org/10.3390/molecules31050796 - 27 Feb 2026
Abstract
Cannabis use is generally restricted worldwide because it contains the narcotic compound Δ9-tetrahydrocannabinol (Δ9-THC). Although cannabis is detected at crime scenes using color-based primary screening methods, the details of the reaction mechanism have not yet been elucidated. In this
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Cannabis use is generally restricted worldwide because it contains the narcotic compound Δ9-tetrahydrocannabinol (Δ9-THC). Although cannabis is detected at crime scenes using color-based primary screening methods, the details of the reaction mechanism have not yet been elucidated. In this study, we isolated the products generated during the color reaction between the diazonium salt prepared from para-nitroaniline and nine cannabinoids and determined their structures. Azo compounds 6, 11, 16, and 17 were produced from cannabidiol, cannabigerol, cannabichromene, and cannabidiolic acid, respectively, while quinoneimines 7–10 and 12–15, which contained positional isomers, were produced from cannabinol, Δ9-THC, and hexahydrocannabinol. The reaction barely proceeded with Δ9-THC acetate and HHC acetate.
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(This article belongs to the Section Organic Chemistry)
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Open AccessEditorial
Advanced Magnetic Resonance Methods in Materials Chemistry Analysis
by
Igor Serša
Molecules 2026, 31(5), 795; https://doi.org/10.3390/molecules31050795 - 27 Feb 2026
Abstract
For decades, magnetic resonance has been considered one of the most insightful and versatile families of analytical techniques available to chemists, physicists, and materials scientists [...]
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(This article belongs to the Special Issue Advanced Magnetic Resonance Methods in Materials Chemistry Analysis)
Open AccessArticle
Photocatalytic Degradation of an Aromatic Pharmaceutical over TiO2: Experimental and Computational Insights into Inhibition Effects of Natural Organic Acids
by
Andrijana Bilić, Sanja J. Armaković and Stevan Armaković
Molecules 2026, 31(5), 794; https://doi.org/10.3390/molecules31050794 - 27 Feb 2026
Abstract
The photocatalytic degradation of the pharmaceutical compound nadolol over TiO2 under UV-LED irradiation was investigated, with particular emphasis on the inhibitory effects of common low-molecular-weight organic acids. Due to its aromatic (tetralin-like) motif and multiple heteroatom-containing functional groups, nadolol serves as a
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The photocatalytic degradation of the pharmaceutical compound nadolol over TiO2 under UV-LED irradiation was investigated, with particular emphasis on the inhibitory effects of common low-molecular-weight organic acids. Due to its aromatic (tetralin-like) motif and multiple heteroatom-containing functional groups, nadolol serves as a representative model for aromatic micropollutants whose fate can be governed by surface competition and noncovalent interactions. While TiO2 showed high photocatalytic activity in ultrapure water, achieving complete nadolol degradation within 120 min, the presence of citric, oxalic, and acetic acids markedly reduced the degradation efficiency by approximately 72%, 62%, and 29%, respectively. Experimental results demonstrated that this inhibition could not be attributed solely to pH changes, indicating the contribution of additional molecular-level effects. To elucidate the underlying mechanism, molecular and periodic density functional theory (DFT) calculations were performed. The computational analysis revealed strong interactions between nadolol, organic acids, and the TiO2 surface, leading to competitive adsorption and partial blocking of photocatalytically active sites. These results provide mechanistic insight into the role of natural organic acids in TiO2-based photocatalytic systems and highlight the importance of considering real-water matrix components when designing efficient and sustainable photocatalytic water treatment processes.
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(This article belongs to the Special Issue Synthesis, Crystal Structure, and Application of Schiff Base Complexes)
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Open AccessReview
Enhanced Bioavailability and Health Benefits of Blueberry Anthocyanins: An Updated Review on Mechanisms and Approaches
by
Rabia Ramzan, Zafarullah Muhammad, Adnan Amjad, Hafiz Rizwan Sharif, Guoqiang Zhang and Ana Chen
Molecules 2026, 31(5), 793; https://doi.org/10.3390/molecules31050793 - 27 Feb 2026
Abstract
Blueberries are highly valued for their nutritional content, primarily due to their high anthocyanin content, which is the principal bioactive compound contributing to their health-enhancing properties. Extensive research has established that blueberry anthocyanins exhibit significant antioxidant activity and confer various health benefits, including
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Blueberries are highly valued for their nutritional content, primarily due to their high anthocyanin content, which is the principal bioactive compound contributing to their health-enhancing properties. Extensive research has established that blueberry anthocyanins exhibit significant antioxidant activity and confer various health benefits, including anti-cardiovascular, anti-diabetic, anti-inflammatory, and anticancer effects, as well as enhancements in cognitive function and visual acuity. Nonetheless, the chemical instability of anthocyanins, influenced by environmental factors such as temperature, light, oxygen, pH, and enzymatic activity, presents a substantial challenge for their effective application, leading to reduced stability, limited bioavailability, and decreased efficacy in functional foods and nutraceuticals. Using a defined search strategy focused on recent advances, this review synthesizes the chemical structures, biological activities, and health benefits of blueberry anthocyanins and critically examines strategies to improve their stability and bioavailability, including nanoparticulate systems, microencapsulation, based on delivery systems like protein, polysaccharides, liposomes, multiple emulsions, and composite delivery systems. Additionally, this review underscores the current research status and translational prospects for the industrial application of blueberry anthocyanins while also considering key scalability issues, including carrier regulation, sensory effects, and shelf-life stability. Developing practical approaches to enhance anthocyanin stability and bioavailability is crucial for maximizing their therapeutic potential and advancing the use of blueberries as functional foods.
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(This article belongs to the Special Issue Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications)
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