Molecules

26 pages, 6250 KB

Open AccessArticle

Electrospun Fibers Encapsulating Triticum vulgare Extract as a Potential Scaffold for the Regeneration of Subepithelial Connective Tissue

by Leydy Tatiana Figueroa-Ariza, Willy Cely-Veloza, Miguelángel Coccaro, Diego Fernando Gualtero, Ronald Andrés Jiménez, Ericsson Coy-Barrera, Ana Delia Pinzón-García, Yamil Lesmes, Leandro Chambrone and Gloria Inés Lafaurie

Molecules 2026, 31(9), 1505; https://doi.org/10.3390/molecules31091505 (registering DOI) - 1 May 2026

Abstract

Electrospun poly(ε-caprolactone) (PCL) membranes incorporating Triticum vulgare extract (TVE) were developed as biomimetic scaffolds for periodontal regeneration. Using a ternary solvent system, two experimental formulations (µF-P10 and µF-P10T1) were fabricated and compared against a commercial dermal matrix. SEM analysis revealed bimodal fiber distributions [...] Read more.

Electrospun poly(ε-caprolactone) (PCL) membranes incorporating Triticum vulgare extract (TVE) were developed as biomimetic scaffolds for periodontal regeneration. Using a ternary solvent system, two experimental formulations (µF-P10 and µF-P10T1) were fabricated and compared against a commercial dermal matrix. SEM analysis revealed bimodal fiber distributions (0.77–1.74 µm) and a surface porosity of 29.86% for TVE-loaded membranes, significantly higher than that of the commercial control (25.26%). FT-IR confirmed that the PCL chemical integrity was preserved, while mechanical testing showed that extract incorporation reinforced the matrix, increasing the Young’s modulus from 2.90 × 10³ Pa to 3.54 × 10³ Pa. UHPLC–MS identified ferulic acid as the primary bioactive component (90%), with release kinetics following a first-order model (R² = 0.998) over 48 h. Biological assays with human gingival fibroblasts (HGF) confirmed non-cytotoxicity (>70% viability). While both membranes supported healing, the µF-P10 formulation showed superior performance, with 80.2% proliferation and 60.6% wound closure, approaching control levels. These findings demonstrate that PCL-TVE electrospun scaffolds effectively combine favorable morphology and controlled release, offering a promising alternative for subepithelial connective tissue regeneration. Full article

(This article belongs to the Special Issue 5th Anniversary of the "Applied Chemistry" Section)

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16 pages, 1176 KB

Open AccessArticle

Comparative Antioxidant Evaluation and GC-MS Identification of Bioactive Constituents in Litsea cubeba (Lour.) Pers. Fractions

by Mengyue Wei, Zihan Yu, Wenyi Fang, Yunbin Zhang and Xiaofei Zhou

Molecules 2026, 31(9), 1506; https://doi.org/10.3390/molecules31091506 (registering DOI) - 30 Apr 2026

Abstract

In this study, five solvent fractions from Litsea cubeba (Lour.) Pers. fruit were extracted and investigated for their antioxidant profiles. Results showed that the petroleum ether fraction (PEF) and n-butanol fraction (NBF) exhibited prominent free radical scavenging capacities in DPPH, ABTS, and hydroxyl [...] Read more.

In this study, five solvent fractions from Litsea cubeba (Lour.) Pers. fruit were extracted and investigated for their antioxidant profiles. Results showed that the petroleum ether fraction (PEF) and n-butanol fraction (NBF) exhibited prominent free radical scavenging capacities in DPPH, ABTS, and hydroxyl radical assays. Gas chromatography–mass spectrometry (GC-MS) identified citral as the dominant bioactive component in both active fractions. Further mechanism analysis demonstrated that citral exerted potent antioxidant effects via dual pathways: direct free radical scavenging and transition metal ion chelation. These findings not only elucidate the material basis and molecular mechanism underlying the antioxidant activity of L. cubeba but also provide a scientific rationale for the high-value utilization of citral-rich fractions in functional foods, cosmetics, and healthcare products. Full article

(This article belongs to the Section Food Chemistry)

24 pages, 2981 KB

Open AccessArticle

Cudratricusxanthone A Exhibits Antitumor Activities Against NSCLC Harboring EGFR L792H and G796R Triple Mutations via Regulating EGFR-ERK/AKT/STAT3 Signaling

by Yinghao Wang, Jiamin Xian, Zhuoyi Wang, Jingmeng Wang, Ruohan Zhang, Jun Sheng, Jing Wang and Peiyuan Sun

Molecules 2026, 31(9), 1504; https://doi.org/10.3390/molecules31091504 (registering DOI) - 30 Apr 2026

Abstract

Background: Acquired resistance to the third-generation EGFR tyrosine kinase inhibitor osimertinib, often mediated by EGFR triple mutations, poses a major clinical challenge in non-small cell lung cancer (NSCLC) treatment. Among these, some rare mutations, such as L858R/T790M/L792H and L858R/T790M/G796R, create steric hindrance that [...] Read more.

Background: Acquired resistance to the third-generation EGFR tyrosine kinase inhibitor osimertinib, often mediated by EGFR triple mutations, poses a major clinical challenge in non-small cell lung cancer (NSCLC) treatment. Among these, some rare mutations, such as L858R/T790M/L792H and L858R/T790M/G796R, create steric hindrance that directly interferes with osimertinib binding, yet effective targeted therapeutic strategies for these specific mutations remain lacking. Cudratricusxanthone A (CTXA), a natural xanthone derivative isolated from Cudrania tricuspidata Bur., has demonstrated various pharmacological activities, but its effects against EGFR triple-mutant NSCLC have not been systematically investigated. Methods: Stable Ba/F3 and NIH/3T3 cell lines expressing EGFR L858R/T790M/L792H or L858R/T790M/G796R triple mutations were generated via electroporation. The antiproliferative effects of CTXA were evaluated by MTT/MTS assays, colony formation, and wound healing assays. Cell cycle distribution and apoptosis were analyzed by flow cytometry. Protein expression of EGFR signaling pathway components (p-EGFR, p-ERK, p-AKT, p-STAT3) and cell cycle regulators (Cyclin D1, CDK4) were examined by Western blotting. Molecular docking and 200 ns molecular dynamics simulations were performed to investigate the stability and binding modes of CTXA to the mutant EGFR kinase domains. Results: The successfully established triple-mutant cell lines exhibited high EGFR expression, IL-3-independent growth, and significant resistance to osimertinib. CTXA inhibited the proliferation of all triple-mutant cell lines in a time- and concentration-dependent manner, with 48 h IC₅₀ values ranging from 0.362 to 2.488 μM. Mechanistically, CTXA suppressed EGFR autophosphorylation and downregulated downstream p-ERK, p-AKT, and p-STAT3. CTXA induced G1 phase cell cycle arrest by downregulating Cyclin D1 and CDK4, significantly promoted apoptosis, and inhibited cell migration. Molecular docking revealed that while osimertinib binding was blocked by steric hindrance from His-792 or Arg-796, CTXA adapted to the mutated ATP-binding pockets through multiple hydrogen bonds and extensive hydrophobic interactions. Molecular dynamics simulations confirmed the stable binding of CTXA to both mutant EGFR proteins over the 200 ns simulations. Conclusions: This study demonstrates for the first time that the natural compound CTXA possesses antitumor efficacy against EGFR L858R/T790M/L792H and L858R/T790M/G796R mutants by regulating EGFR-ERK/AKT/STAT3 signaling. Our findings position CTXA as a promising lead compound for tackling this challenging form of acquired resistance and highlight the value of natural products in multi-target antitumor drug discovery. Full article

(This article belongs to the Special Issue Advances in Anticancer Activity of Natural Products and Related Compounds)

40 pages, 1294 KB

Open AccessReview

Synthesis of Pyridines, Quinazolinones and Coumarins in Deep Eutectic Solvents: Principles, Methods and Applications

by Valentina Bušić, Maja Molnar, Mario Komar, Ivana Tomac, Martin Kondža, Martina Jakovljević Kovač, Mirna Habuda-Stanić, Damir Magdić, Lahorka Budić and Dajana Gašo-Sokač

Molecules 2026, 31(9), 1503; https://doi.org/10.3390/molecules31091503 (registering DOI) - 30 Apr 2026

Abstract

The synthesis of heterocyclic compounds such as pyridines, quinazolinones and coumarins is a fundamental area of organic chemistry due to their wide application in the pharmaceutical and chemical industries, agro-industry, and other fields of modern technology. As these compounds are produced in large [...] Read more.

The synthesis of heterocyclic compounds such as pyridines, quinazolinones and coumarins is a fundamental area of organic chemistry due to their wide application in the pharmaceutical and chemical industries, agro-industry, and other fields of modern technology. As these compounds are produced in large quantities and have significant industrial importance, the development of sustainable and environmentally friendly synthetic approaches has become a key objective of green chemistry. In this context, this review examines the principles, methods and applications of the sustainable synthesis of pyridines, quinazolinones and coumarins in deep eutectic solvents (DESs), a new class of solvents characterized by low volatility, non-toxicity, ease of preparation and recyclability, often from renewable sources. Special emphasis is placed on synthetic strategies that achieve reaction efficiency while reducing environmental impact, including processes without additional catalysts or with reusable catalysts. The paper provides a comprehensive overview of recent advances and highlights the potential of DESs as a viable alternative to conventional organic solvents in the synthesis of bioactive pyridine, quinazolinone and coumarin compounds. Full article

(This article belongs to the Special Issue Deep Eutectic Solvents: Design, Characterization, and Applications)

32 pages, 6455 KB

Open AccessArticle

Copper-Mediated Leaching of LiNi_0.65Co_0.25Mn_0.10O₂ in H₃PO₄: Thermodynamics, Structural Evolution, and Redox Mechanism

by Ivan Đorđević, Dragana Medić, Nataša Gajić, Maja Nujkić, Vladan Nedelkovski, Sonja Stanković and Aleksandar Cvetković

Molecules 2026, 31(9), 1502; https://doi.org/10.3390/molecules31091502 (registering DOI) - 30 Apr 2026

Abstract

This study investigates the leaching behavior of the LiNi_0.65Co_0.25Mn_0.10O₂ cathode material in a phosphoric acid medium, with metallic copper recycled from spent battery components serving as a reducing agent. The aim was to develop an efficient [...] Read more.

This study investigates the leaching behavior of the LiNi_0.65Co_0.25Mn_0.10O₂ cathode material in a phosphoric acid medium, with metallic copper recycled from spent battery components serving as a reducing agent. The aim was to develop an efficient approach for the recovery of Li, Ni, Co, and Mn while providing a mechanistic understanding. Leaching experiments were performed by varying key parameters, including copper addition, acid concentration (0.2–0.8 mol·L⁻¹), cathode mass (0.2–1.0 g), stirring rate (0–600 rpm), and temperature (35–80 °C). Thermodynamic analysis, supported by Pourbaix and species distribution diagrams, was used to interpret metal behavior. The results show that lithium is readily dissolved, whereas the extraction of Ni, Co, and Mn depends on the presence of copper, which enables their reduction and dissolution. Optimal conditions (0.4 mol·L^‒1 H₃PO₄, 0.2 g Cu, 600 rpm, 80 °C) enabled rapid extraction, exceeding 90% within 30 min, while near-complete extraction (~100%, 99%, 99%, and 97% for Li, Ni, Co, and Mn) was achieved after 60 min. Structural analysis revealed a transformation from the layered structure to spinel-like intermediates, followed by their dissolution and formation of copper phosphate phases. The proposed system represents an efficient approach for the sustainable recycling of NMC cathodes. Full article

(This article belongs to the Special Issue Optimization of Process Methodology for Specialty and Fine Chemicals)

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33 pages, 2239 KB

Open AccessArticle

CuO@Pyridine Composite for Efficient Removal of Malachite Green and Cd(II) from Water: Adsorption Performance and Mechanistic Insights

by Marwa M. Abdeen, Mohamed G. Abouelenein, Marwa Abd Elfattah, Safinaz H. El-Demerdash, Marwa A. Abdelhameed, Sara M. Elnagar, Mariam T. Yasin, Donia F. Elhadad and Mohamed Mostafa A. Mohamed

Molecules 2026, 31(9), 1501; https://doi.org/10.3390/molecules31091501 (registering DOI) - 30 Apr 2026

Abstract

A heteroatom-rich pyridine-based adsorbent (Pyridine PC) was synthesized through a multicomponent strategy and structurally confirmed by ¹H/¹³C NMR spectroscopy and mass spectrometry. To further enhance adsorption activity and surface reactivity, waste-derived CuO nanoparticles were immobilized onto the porous [...] Read more.

A heteroatom-rich pyridine-based adsorbent (Pyridine PC) was synthesized through a multicomponent strategy and structurally confirmed by ¹H/¹³C NMR spectroscopy and mass spectrometry. To further enhance adsorption activity and surface reactivity, waste-derived CuO nanoparticles were immobilized onto the porous heterocyclic framework, generating a sustainable CuO@Pyridine PC hybrid nanocomposite. Batch adsorption experiments demonstrate highly efficient removal of malachite green (MG) dye and Cd(II) ions from aqueous solutions. Kinetic analysis reveals that adsorption follows the pseudo-second-order model, while equilibrium data are best described by the Freundlich isotherm, indicating adsorption on heterogeneous surfaces. Thermodynamic parameters confirm that the adsorption processes are spontaneous and exothermic. Surface and structural characterization using SEM/EDX, elemental mapping analysis and FT-IR before and after adsorption verifies strong pollutant binding and highlights the role of nitrogen- and oxygen-containing functional groups as dominant interaction sites. BET measurements show that CuO incorporation increases surface area and pore volume, while zeta potential analysis indicates excellent colloidal stability of the composite in aqueous media. Consequently, the CuO-modified sorbent exhibits enhanced adsorption capacities, increasing from 169.8 to 176.13 mg g⁻¹ for MG and from 276.5 to 368 mg g⁻¹ for Cd(II). The adsorbent demonstrated effective pollutant removal from real wastewater. The adsorption mechanism involves synergistic interactions between functional groups in the Pyridine PC matrix and CuO nanoparticles, providing enhanced active binding sites. Full article

21 pages, 3254 KB

Open AccessArticle

Zeocin-Induced Adaptive Response in Saccharomyces cerevisiae: The Contribution of Priming Dose and Experimental Design

by Teodora Todorova and Stephka Chankova

Molecules 2026, 31(9), 1500; https://doi.org/10.3390/molecules31091500 - 30 Apr 2026

Abstract

We aimed to clarify how the priming dose and the experimental design could affect the development of an adaptive response (AR) induced by low-dose Zeocin (Zeo) in Saccharomyces cerevisiae strains with differing genetic constitution. Constant-field gel electrophoresis was used for measuring double-strand breaks [...] Read more.

We aimed to clarify how the priming dose and the experimental design could affect the development of an adaptive response (AR) induced by low-dose Zeocin (Zeo) in Saccharomyces cerevisiae strains with differing genetic constitution. Constant-field gel electrophoresis was used for measuring double-strand breaks (DSBs) induction and DNA rejoining; for microbiological experiments, Zimmermann’s test was used for measuring survival fraction and genetic events. Favorable experimental conditions for the induction of AR in both D7ts1 and 551 strains were determined: the priming dose inducing about 20% lethality or at least a 1.5-fold increased DSB level, 45 min inter-treatment time, and recovery time of 30–45 min. Both strains developed well-expressed AR, measured by increased cell survival, but differed in their ability to develop AR, measured by reduction in DSBs. This discrepancy could be due to different DSBs rejoining rather than different DNA susceptibility, and the partial contribution of DSB repair to cell survival in the split-dose experiments. The frequency of mutagenic and recombinogenic events and DSB levels were lower in split-dose treatment. The development of AR depends on several factors: the magnitude of the priming dose, DNA susceptibility, the duration of the ITT window, the duration of recovery time, as well as genetic constitution of strains. Full article

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

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19 pages, 753 KB

Open AccessArticle

Diet-Dependent Chemical Profiling and Bioactivity of Otala tingitana Mucus: Antibacterial Activity, Antioxidant Capacity, and In Vivo Wound-Healing Effects

by Abdelmajid El Khayari, Abdulrahman Mohammed Alhudhaibi, Elhabib Rour, Aziz Bouymajane, Tarek H. Taha, Fouzia Rhazi Filali, Emad M. Abdallah and Abdelaziz Ed-Dra

Molecules 2026, 31(9), 1499; https://doi.org/10.3390/molecules31091499 - 30 Apr 2026

Abstract

Snail mucus is increasingly investigated as a biologically compatible source of multifunctional biomolecules for pharmaceutical and dermatological use. However, the chemical profile and biological activities of mucus from the Moroccan endemic terrestrial snail Otala tingitana remain poorly characterized. In addition, the influence of [...] Read more.

Snail mucus is increasingly investigated as a biologically compatible source of multifunctional biomolecules for pharmaceutical and dermatological use. However, the chemical profile and biological activities of mucus from the Moroccan endemic terrestrial snail Otala tingitana remain poorly characterized. In addition, the influence of heliciculture diet on the composition and functional properties of the mucus remains unclear. Here, O. tingitana was reared for 140 days under controlled conditions and fed a basal flour diet or the same diet supplemented with 3% Rosmarinus officinalis, Origanum compactum, or Thymus zygis subsp. zygis. Mucus from wild snails was included for comparison. Mucus samples were chemically profiled by GC–MS and evaluated for antibacterial activity, antioxidant capacity, wound-healing efficacy in mice, and histological anti-inflammatory effects, and evaluated semi-quantitatively based on the degree of inflammatory cell infiltration. GC–MS identified 13 compounds and demonstrated clear diet-dependent shifts in dominant components. All mucus samples exhibited broad-spectrum antibacterial activity against Staphylococcus aureus, Listeria monocytogenes, Escherichia coli, and Salmonella Typhimurium (inhibition zones 10.31–14.30 mm; MIC 120–240 µg/mL), with predominantly bactericidal profiles (MBC/MIC < 4) and significantly enhanced activity in plant-supplemented groups (p < 0.05). Antioxidant performance improved markedly with medicinal-plant supplementation, reaching low IC₅₀ values (best ≈ 1.18 mg/mL) compared with basal-diet mucus. In vivo, topical application accelerated wound closure, achieving complete healing in <21 days, versus 28 days in untreated controls. In addition, histological assessment showed faster resolution of inflammatory cell infiltration in treated groups. Collectively, these findings provide the first integrated evidence that O. tingitana mucus possesses antibacterial, antioxidant, wound-healing, and anti-inflammatory activities, and that heliciculture diet is a practical lever to optimize its bioactive profile. Further studies should prioritize standardized manufacturing, contaminant control, and safety/toxicology assessment before translational development. Full article

(This article belongs to the Special Issue Secondary Metabolites from Natural Products: Extraction, Isolation and Biological Activities, 2nd Edition)

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2 pages, 130 KB

Open AccessCorrection

Correction: Pollio et al. Polyphenolic Profile and Targeted Bioactivity of Methanolic Extracts from Mediterranean Ethnomedicinal Plants on Human Cancer Cell Lines. Molecules 2016, 21, 395

by Antonino Pollio, Armando Zarrelli, Valeria Romanucci, Alfredo Di Mauro, Federica Barra, Gabriele Pinto, Elvira Crescenzi, Emanuela Roscetto and Giuseppe Palumbo

Molecules 2026, 31(9), 1498; https://doi.org/10.3390/molecules31091498 - 30 Apr 2026

Abstract

Error in Figure [...] Full article

10 pages, 455 KB

Open AccessArticle

Phase Equilibrium Calculations of Solid–Liquid Quaternary System Na₂CO₃-Na₂SO₄-H₂O₂-H₂O at 5 °C

by Guo-En Li, Fan Shi, Yue Liu and Yu-Long Li

Molecules 2026, 31(9), 1497; https://doi.org/10.3390/molecules31091497 - 30 Apr 2026

Abstract

Red mud discharged during alumina production via the Bayer process is characterized by high contents of sodium carbonate, sodium sulfate, and other soluble salts, and it remains poorly utilized and accumulates in long-term stockpiles. Sodium percarbonate has found extensive industrial applications, and its [...] Read more.

Red mud discharged during alumina production via the Bayer process is characterized by high contents of sodium carbonate, sodium sulfate, and other soluble salts, and it remains poorly utilized and accumulates in long-term stockpiles. Sodium percarbonate has found extensive industrial applications, and its synthesis via the salting-out method represents one of the dominant industrial routes. In this context, sodium sulfate was employed as a salting-out agent. On the basis of relevant ternary systems, the phase equilibrium of the quaternary system Na₂CO₃–Na₂SO₄–H₂O₂–H₂O at 5 °C was systematically investigated and calculated. The objective was to utilize red mud as a waste resource and develop a novel integrated process that favored the wet synthesis of sodium percarbonate while enabling the efficient separation of sodium salts. The solubility data for the ternary subsystems constituting the above quaternary system were correlated using the Pitzer model, yielding the corresponding ion interaction parameters and activity coefficients. The validated model was then applied to predict the phase equilibrium data of the quaternary system. Verification results indicate that the calculated values are in satisfactory agreement with the experimental data. On the basis of the phase equilibrium data of the Na₂CO₃–Na₂SO₄–H₂O₂–H₂O system at 5 °C, a phase diagram was constructed. Along with five solid-phase crystallization fields, three invariant points were identified: the co-saturation point of Na₂SO₄·10H₂O, Na₂CO₃·10H₂O, and Na₂CO₃·1.5H₂O₂·H₂O; the co-saturation point of Na₂SO₄·10H₂O, Na₂CO₃·1.5H₂O₂·H₂O, and Na₂SO₄·0.5H₂O₂·H₂O; and the co-saturation point of Na₂CO₃·1.5H₂O₂·H₂O, Na₂SO₄·0.5H₂O₂·H₂O, and Na₂CO₃·2H₂O₂·H₂O. From phase diagram analysis, a novel wet process route for sodium percarbonate production using waste red mud is proposed. The process involves chemical reaction, crystallization, separation, and drying to obtain the final product. A new process flow diagram for the value-added production of sodium percarbonate is also presented. Full article

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16 pages, 938 KB

Open AccessArticle

Antiviral Activity of Essential Oil from Populus balsamifera L. Buds and Its Major Compounds Against Betacoronavirus HCoV-OC43 Using a Sensitive Cytoprotection Assay

by Laurie Girard, Héloïse Côté, Andre Pichette, Josianne Savard, Lionel Ripoll and Jean Legault

Molecules 2026, 31(9), 1496; https://doi.org/10.3390/molecules31091496 - 30 Apr 2026

Abstract

Plant-derived products, particularly essential oils, represent a promising source of antiviral scaffolds. Although Populus balsamifera L. has been traditionally used to manage respiratory ailments and infections, the antiviral potential of its bud essential oil remains unexplored. In this study, we evaluated the in [...] Read more.

Plant-derived products, particularly essential oils, represent a promising source of antiviral scaffolds. Although Populus balsamifera L. has been traditionally used to manage respiratory ailments and infections, the antiviral potential of its bud essential oil remains unexplored. In this study, we evaluated the in vitro antiviral cytoprotective activity of P. balsamifera bud essential oil and its major constituents against HCoV-OC43, a human betacoronavirus associated with seasonal respiratory infections, using a cell-based cytoprotection assay. The assay reliably detected the activity of reference antivirals, including chloroquine (EC₅₀ = 0.11 ± 0.01 µg/mL), molnupiravir, and fluvoxamine, supporting its suitability for antiviral screening. Under these conditions, P. balsamifera bud essential oil exhibited strong cytoprotective activity, with an EC₅₀ of 3.3 ± 0.5 µg/mL. Chemical analysis revealed a sesquiterpene-rich composition. Two major constituents, α-bisabolol and nerolidol, also showed marked cytoprotection, with EC₅₀ values of 2.7 ± 0.3 µg/mL and 2.6 ± 0.4 µg/mL, respectively, supporting their contribution to the overall activity of the oil. To our knowledge, this study provides the first experimental evidence of antiviral cytoprotective activity of P. balsamifera bud essential oil against a human coronavirus and identifies α-bisabolol and nerolidol as active compounds in this model. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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16 pages, 2767 KB

Open AccessReview

Identification of Emerging Organic Pollutants in Aquatic Environments Under the Omics-Based Framework: A Review

by Xiaotian Zhang, Biao Wang, Xingyue Tu, Qin Zhang, Dan Song and Shasha Liu

Molecules 2026, 31(9), 1495; https://doi.org/10.3390/molecules31091495 - 30 Apr 2026

Abstract

Emerging organic pollutants (EOPs) in aquatic environments have attracted increasing attention because many occur at trace levels, undergo transformation during environmental transport, and contribute to poorly resolved mixture risks. Traditional targeted analysis is inherently restricted to predefined compounds, whereas high-resolution mass spectrometry (HRMS)-based [...] Read more.

Emerging organic pollutants (EOPs) in aquatic environments have attracted increasing attention because many occur at trace levels, undergo transformation during environmental transport, and contribute to poorly resolved mixture risks. Traditional targeted analysis is inherently restricted to predefined compounds, whereas high-resolution mass spectrometry (HRMS)-based full-scan workflows provide broader opportunities for discovering known unknowns and previously unrecognized contaminants. This review critically synthesizes an omics-based analytical framework for aquatic environments, covering sample digitalization, instrumental analysis and acquisition modes, chemical fingerprint/non-target screening, suspect screening, effect-directed analysis, and confidence-based structural identification. Particular emphasis is placed on practical decision points and trade-offs, including dissolved versus particulate-associated analytes, LC-HRMS versus GC-HRMS coverage, hard versus soft ionization, DDA- versus DIA-type acquisition, database dependence, and the persistent difficulty of linking analytical features to toxicological relevance. The review also discusses emerging directions involving artificial intelligence, chemometrics, organometallic contaminants, and microplastic-associated chemicals. By clarifying conceptual boundaries and highlighting current limitations, this article aims to support the development of more critical, transparent, and risk-oriented workflows for the discovery and prioritization of emerging pollutants in aquatic environments. Full article

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25 pages, 3874 KB

Open AccessArticle

Screening Bioremediation for the Effective Removal of Regulated and Emerging Contaminants from Mining Wastewater

by Niroshan Gajendra, Anamaria Iulia Török, Deniz Avsar, Mila Kristiina Pelkonen, Simion Bogdan Angyus, Ragne Lundeby Grønvold, Claudiu Tănăselia, Erika Andrea Levei and Laura Ferrando-Climent

Molecules 2026, 31(9), 1494; https://doi.org/10.3390/molecules31091494 - 30 Apr 2026

Abstract

Mining wastewater contains complex mixtures of regulated and emerging contaminants that challenge treatment technologies. This study evaluates the bioremediation potential of 10 phytoplankton species, including Chlorella vulgaris, and the aquatic fern Salvinia natans for removing contaminants from synthetic and mine outflow water. [...] Read more.

Mining wastewater contains complex mixtures of regulated and emerging contaminants that challenge treatment technologies. This study evaluates the bioremediation potential of 10 phytoplankton species, including Chlorella vulgaris, and the aquatic fern Salvinia natans for removing contaminants from synthetic and mine outflow water. Batch screening experiments were conducted using synthetic wastewater containing regulated elements, rare earth elements (REEs), or selected organic flotation reagents, followed by validation using acidic mine outflow water from a decommissioned mine (Romania). All tested phytoplankton species and Salvinia natans showed high removal efficiencies for several priority elements, including Pb, Ag, Cr, Th, U, and multiple REEs. Organic flotation reagents were efficiently removed by all phytoplankton species. Chlorella vulgaris and Salvinia natans emerged as high-performing species and were further evaluated in mine outflow, where species-specific and matrix-dependent removal behavior was observed. Here, Chlorella vulgaris showed a higher average removal. Time-resolved analyses indicated a rapid initial removal followed by equilibrium phases, suggesting biosorption and bioaccumulation mechanisms. Li and Se showed limited removal capacities across all species. Photosynthetic pigment analysis revealed stress responses in Salvinia natans under acidic, multielement exposure. Overall, phycoremediation and phytoremediation represent effective low-chemical treatment strategies with potential for integration into a complementary mining wastewater treatment workflow. Full article

(This article belongs to the Special Issue Green Chemistry Approaches to Analysis and Environmental Remediation)

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1 pages, 131 KB

Open AccessRetraction

RETRACTED: Elshayb et al. Green Synthesis of Zinc Oxide Nanoparticles: Fortification for Rice Grain Yield and Nutrients Uptake Enhancement. Molecules 2021, 26, 584

by Omnia M. Elshayb, Khaled Y. Farroh, Heba E. Amin and Ayman M. Atta

Molecules 2026, 31(9), 1493; https://doi.org/10.3390/molecules31091493 - 30 Apr 2026

Abstract

The journal retracts the article titled “Green Synthesis of Zinc Oxide Nanoparticles: Fortification for Rice Grain Yield and Nutrients Uptake Enhancement” [...] Full article

20 pages, 2929 KB

Open AccessArticle

Size-Dependent Immunomodulatory Effects of Fe₃O₄ Nanoparticles by Inducing Pro-Inflammatory Polarization of Macrophages to M1 Type

by Yan Yang, Haoyu Yu, Mengying Fu, Hui Wang, Yang Yue, Lihua Geng, Quanbin Zhang, Jing Wang, Jiaqi Wan and Ning Wu

Molecules 2026, 31(9), 1492; https://doi.org/10.3390/molecules31091492 - 30 Apr 2026

Abstract

Tumor-associated macrophages (TAMs) are pivotal in shaping the immunosuppressive tumor microenvironment (TME). Reprogramming TAMs towards an anti-tumor M1 phenotype represents a promising strategy to enhance anti-tumor immunity. While Fe₃O₄ nanoparticles (NPs) possess immunomodulatory potential, the influence of NP size on [...] Read more.

Tumor-associated macrophages (TAMs) are pivotal in shaping the immunosuppressive tumor microenvironment (TME). Reprogramming TAMs towards an anti-tumor M1 phenotype represents a promising strategy to enhance anti-tumor immunity. While Fe₃O₄ nanoparticles (NPs) possess immunomodulatory potential, the influence of NP size on macrophage polarization and the underlying mechanisms remain unclear. This study aims to systematically investigate the size-dependent immunomodulatory effects of Fe₃O₄ NPs and elucidate their mechanisms. We synthesized a series of Fe₃O₄ NPs of controlled sizes (5 nm, 10 nm, 30 nm, and 100 nm) via the polyol method. Among these, the 10 nm NPs demonstrated superior cellular uptake efficiency in macrophages. This enhanced uptake induced a significant increase in intracellular reactive oxygen species (ROS) levels. Subsequently, the elevated ROS activated the NF-κB signaling pathway, promoting M1 macrophage polarization. This polarization was evidenced by enhanced CD86 expression, increased nitric oxide (NO) release, and elevated secretion of pro-inflammatory cytokines. This study identifies 10 nm as the optimal size for Fe₃O₄ NPs to elicit their maximal immunomodulatory effects. Our findings establish a crucial size-design principle for the rational development of nano-immunotherapeutic agents and identify 10 nm Fe₃O₄ NPs as a promising candidate for TAM-targeted cancer therapy. Full article

(This article belongs to the Special Issue Synthesis of Nanomaterials and Their Applications in Biomedicine—2nd Edition)

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20 pages, 1205 KB

Open AccessArticle

LED Light-Quality Optimization to Enhance Shoot and Essential Oil Yield of Tagetes erecta L. in Controlled Environment

by Ha Thi Thu Chu, Nhung Hong Nguyen, Quyen Phan, Thuy Thi Thu Dinh, Trang Huyen Thi Hoang, Tru Van Nguyen, Ha Hoang Chu, Quang Cong Tong, Tran Quoc Tien, William N. Setzer, Khanh Quoc Tran and Phat Tien Do

Molecules 2026, 31(9), 1491; https://doi.org/10.3390/molecules31091491 - 29 Apr 2026

Abstract

This study evaluated the effects of light spectral quality on shoot yield and essential oil of Tagetes erecta L. cultivated in controlled growth chambers under three LED lighting treatments with different red, blue, and white wavelength ratios and a constant 16 h photoperiod [...] Read more.

This study evaluated the effects of light spectral quality on shoot yield and essential oil of Tagetes erecta L. cultivated in controlled growth chambers under three LED lighting treatments with different red, blue, and white wavelength ratios and a constant 16 h photoperiod for up to 101 days. The F2 treatment (5 red:1 blue) produced yields of fresh shoots, early blooming flowers, and oils of 1586 ± 164 g/m², 569.77 ± 76.81 g/m², and 307 ± 31.7 mg/m², respectively. These values were significantly higher (p < 0.05) than those of the F1 treatment (white:red-phosphor), and represented increases of 1.37-, 1.26-, and 1.38-fold, respectively. Gas chromatography identified 30–31 compounds in the oil with three major constituents—(E)-β-ocimene (22.9–28.8%, highest under F3), (E)-myroxide (13.9–20.6%, highest under F1), and piperitone (7.3–9.6%, highest under F3). Essential oils inhibited from four to five of the seven tested microbial strains, with the notable activity against Escherichia coli and Candida albicans recorded in F2 and F1, respectively. These findings confirm that light spectral quality is a critical factor regulating flower, essential oil, and antimicrobial efficacy in T. erecta, demonstrating that optimized LED spectra offer a practical strategy to improve plant yield and phytochemical quality. Full article

(This article belongs to the Section Natural Products Chemistry)

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28 pages, 3542 KB

Open AccessArticle

Sugar-Based Eutectic Systems Combined with Cyclodextrins for Enhanced Solubility of Carvedilol

by Alejandra Polo, Álvaro Werner, Estefanía Zuriaga, Beatriz Giner and Laura Lomba

Molecules 2026, 31(9), 1490; https://doi.org/10.3390/molecules31091490 - 29 Apr 2026

Abstract

(1) Background: Carvedilol is a poorly water-soluble drug, which limits its therapeutic performance. Deep eutectic solvents (DES) and cyclodextrins (CD) are emerging solubilizing agents that can improve drug bioavailability. (2) Methods: Twenty-one DES were prepared using choline chloride and polyols or sugars (xylitol, [...] Read more.

(1) Background: Carvedilol is a poorly water-soluble drug, which limits its therapeutic performance. Deep eutectic solvents (DES) and cyclodextrins (CD) are emerging solubilizing agents that can improve drug bioavailability. (2) Methods: Twenty-one DES were prepared using choline chloride and polyols or sugars (xylitol, sorbitol, glucose, and fructose) at different molar ratios with water. α and β cyclodextrins (CD) were added (0.5–2 mM) using two incorporation strategies: (Method 1) addition to the aqueous phase before DES formation; (Method 2) direct addition to the preformed DES. (3) Results: Carvedilol solubility markedly increased with DES–CD combinations. In Method 1, xylitol-based DES provided up to a 16-fold enhancement, especially with β-CD at low concentrations, while glucose and sorbitol systems showed modest effects. Fructose-based mixtures improved mainly at a 2:1:35 ratio without CDs. In Method 2, α-CD with xylitol or sorbitol yielded the highest increases (up to 38.9-fold). (4) Conclusions: The solubilization efficiency depends on DES composition, CD type, and concentration. α-CD combined with xylitol-based DES showed the best results, highlighting this approach as a promising strategy to enhance carvedilol solubility for pharmaceutical applications. Full article

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

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23 pages, 848 KB

Open AccessReview

Natural Products as a Pipeline for Next-Generation Neurodegenerative Drugs: From Single-Target Failure to Multi-Target Opportunity in Alzheimer’s and Parkinson’s Disease

by Solomon Habtemariam

Molecules 2026, 31(9), 1489; https://doi.org/10.3390/molecules31091489 - 29 Apr 2026

Abstract

Neurodegenerative diseases such as Alzheimer’s disease (AD) and Parkinson’s disease (PD) represent some of the most complex and therapeutically challenging disorders in modern medicine. Despite decades of research, the traditional one drug–one target paradigm has largely failed to deliver disease-modifying therapies. Increasing evidence [...] Read more.

Neurodegenerative diseases such as Alzheimer’s disease (AD) and Parkinson’s disease (PD) represent some of the most complex and therapeutically challenging disorders in modern medicine. Despite decades of research, the traditional one drug–one target paradigm has largely failed to deliver disease-modifying therapies. Increasing evidence suggests that these complex diseases arise from interconnected pathological networks involving protein aggregation, oxidative stress, mitochondrial dysfunction, neuroinflammation, and synaptic loss. In this context, natural products (NPs) have re-emerged as a promising pipeline for next-generation therapeutics. Unlike conventional small molecules, NPs inherently exhibit polypharmacology, targeting multiple pathways simultaneously. Recent advances (2019–2026) demonstrate a paradigm shift, from crude NPs and single-mechanism compounds toward engineered derivatives, network pharmacology, and multi-target drug design. Using AD and PD as case studies, this review critically evaluates how NPs are redefining drug discovery by highlighting key emerging NPs, translational strategies, and future directions. Full article

(This article belongs to the Special Issue Natural Product Leads Targeting Inflammatory Pathways)

15 pages, 8843 KB

Open AccessArticle

Development of In Situ Monitoring Sensor for Oil Spills in the Mediterranean Sea Using Portable Mass Spectrometry

by Djordje Vujić, Milena Aleksić, Daria Ilić, Eleni Christoforou, Louis Hadjioannou and Boris Brkić

Molecules 2026, 31(9), 1488; https://doi.org/10.3390/molecules31091488 - 29 Apr 2026

Abstract

This study addresses the need for rapid, in situ detection of volatile organic compounds associated with oil contamination in aquatic environments. Membrane inlet mass spectrometry (MIMS) offers a direct, continuous monitoring approach without the need for chromatographic separation, making it suitable for real-time [...] Read more.

This study addresses the need for rapid, in situ detection of volatile organic compounds associated with oil contamination in aquatic environments. Membrane inlet mass spectrometry (MIMS) offers a direct, continuous monitoring approach without the need for chromatographic separation, making it suitable for real-time environmental analysis. In this work, a portable MIMS system was deployed at multiple pilot sites, including a fixed buoy platform, to evaluate its capability for detecting selected hydrocarbon target compounds under field conditions. Measurements were conducted over extended periods, and mass spectral data were continuously recorded and analyzed. Across all monitoring campaigns, no signals corresponding to the target analytes were observed above the established limits of detection. These findings demonstrate the robustness of the applied MIMS configuration for continuous environmental monitoring and confirm its suitability for detecting trace-level pollutants when present. The results also highlight the importance of field validation under realistic conditions, providing a basis for further optimization and broader application of MIMS in environmental surveillance. Full article

(This article belongs to the Section Analytical Chemistry)

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