Molecules

68 pages, 5503 KB

Open AccessReview

Tides of Promise: Sponge-Derived Marine Natural Products in Southeast Asia

by Lik Tong Tan, Clarissa Widyantoro and Novriyandi Hanif

Molecules 2026, 31(5), 914; https://doi.org/10.3390/molecules31050914 - 9 Mar 2026

Viewed by 743

Southeast Asia (SEA) harbors one of the world’s richest reservoirs of marine biodiversity, offering immense potential for natural product discovery. This review presents a comprehensive survey of sponge-derived marine natural products (MNPs), with notable activity, reported from SEA over the past two decades, [...] Read more.

Southeast Asia (SEA) harbors one of the world’s richest reservoirs of marine biodiversity, offering immense potential for natural product discovery. This review presents a comprehensive survey of sponge-derived marine natural products (MNPs), with notable activity, reported from SEA over the past two decades, highlighting their chemical diversity, biological activities and regional research trends. Analysis of the past two decades of MNPs data reveals that sponges (Phylum Porifera) remain the dominant source of new MNPs, representing nearly half of all discoveries in the region. Indonesia, Vietnam, and Thailand are leading contributors, with Indonesia exhibiting the highest productivity but limited local research leadership. The South China Sea and Indonesian archipelagos emerge as biodiversity and bioprospecting hotspots, yet large areas remain underexplored. Bioactive metabolites isolated from SEA sponges demonstrate potent anticancer, antimicrobial, anti-inflammatory, antiviral and enzyme-inhibitory properties, underscoring their value for pharmaceutical innovation. Despite this promise, uneven research capacity, infrastructure gaps and environmental degradation constrain sustainable exploitation. By consolidating recent advances in lead compound development and identifying key taxonomic as well as geographic priorities, this review strengthens the scientific foundation for marine drug discovery in SEA and supports integration of bioprospecting with regional Blue Economy and biodiversity conservation agendas and programs. Full article

(This article belongs to the Section Natural Products Chemistry)

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21 pages, 1619 KB

Open AccessArticle

Impact of Olive Variety and Cultivation Region on the Chemical Composition and Sensory Attributes of Turkish Olive Oils

by Didar Sevim, Oya Köseoğlu, Lacrimioara Senila, Anca Becze, Marin Senila, Pınar Kadiroğlu Kelebek and Ayla Mumcu

Molecules 2026, 31(5), 913; https://doi.org/10.3390/molecules31050913 - 9 Mar 2026

Viewed by 584

Abstract

Extra virgin olive oils obtained from the Ayvalık, Memecik, Gemlik, Çekişte, and Sarı Ulak Turkish cultivars were evaluated to determine their chemical composition, quality classification, authenticity indicators, and sensory characteristics. Standard quality parameters, including free fatty acidity, peroxide value, and ultraviolet absorbance (K232, [...] Read more.

Extra virgin olive oils obtained from the Ayvalık, Memecik, Gemlik, Çekişte, and Sarı Ulak Turkish cultivars were evaluated to determine their chemical composition, quality classification, authenticity indicators, and sensory characteristics. Standard quality parameters, including free fatty acidity, peroxide value, and ultraviolet absorbance (K232, K270), were analyzed in accordance with International Olive Council (IOC) regulations. The majority of the samples met the criteria for extra virgin olive oil. The oleic acid content varied by variety and region, with Ayvalık and Memecik showing notably high levels. Sterol profile analyses revealed distinctive chemical markers that indicate authenticity and quality. Sensory analysis results showed that regional differences had a significant impact on aroma, taste, and overall acceptability. Oils from Ayvalık and Memecik received high scores for positive sensory attributes such as fruitiness, bitterness, and pungency. The results show that the chemical and sensory qualities of olive oil are directly influenced by both genetic diversity and growing conditions, which underscores the importance of conserving local varieties and promoting regional production methods. Full article

(This article belongs to the Special Issue Chemical Composition, Antiradical Potential and Sensory Qualities of Lesser-Known Fruits)

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18 pages, 455 KB

Open AccessArticle

Effect of Textured Plant Protein Granulation and Presence of Dried Plant Ingredients on Physicochemical Properties of Soy-Based Burger

by Klaudia Kołodziejczak, Klara Żbik, Iwona Wojtasik-Kalinowska, Anna Onopiuk and Andrzej Poltorak

Molecules 2026, 31(5), 912; https://doi.org/10.3390/molecules31050912 - 9 Mar 2026

Viewed by 677

Abstract

Meat analogues have gained high interest from consumers, food producers and the scientific community due to their potential to be a sustainable alternative to traditional meat products. This study investigated the effect of textured soy protein granulation on the structural and biochemical properties [...] Read more.

Meat analogues have gained high interest from consumers, food producers and the scientific community due to their potential to be a sustainable alternative to traditional meat products. This study investigated the effect of textured soy protein granulation on the structural and biochemical properties of plant-based burgers. Additionally, the incorporation of bioactive plant ingredients, including pomegranate, cardamom, juniper, and carrot powders, was examined for their influence on antioxidant capacity and lipid oxidation during storage. The results demonstrated that larger protein granulation (4–6 mm) enhanced burger hardness and springiness and increased cooking-induced weight loss. The addition of plant-derived bioactive ingredients improved oxidative stability and functional properties, indicating their potential role in extending shelf life and improving product quality. This research provides important knowledge on the role of product formulation and the use of bioactive ingredients in the development of high-quality meat analogues with acceptable physic-chemical properties. Full article

(This article belongs to the Special Issue Nutritional and Bioactive Components of Edible Parts of Medicinal Plants)

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14 pages, 4563 KB

Open AccessArticle

Insights into the Enhanced Tetracycline Adsorption by Two-Dimensional Cu-Based Metal–Organic Framework

by Linteng Wang, Shi Wang, Yonglong Pang, Liyuan Guo, Jiming Huang, Ping Xue and Lingjun Kong

Molecules 2026, 31(5), 911; https://doi.org/10.3390/molecules31050911 - 9 Mar 2026

Cited by 1 | Viewed by 692

Abstract

Accumulation of tetracycline (TC) in aquatic environments poses a significant threat to human health and ecosystems, driving the need for efficient removal technologies. Two-dimensional metal–organic frameworks (2D MOFs) are promising adsorbents due to their tunable structures and abundant active sites. In this work, [...] Read more.

Accumulation of tetracycline (TC) in aquatic environments poses a significant threat to human health and ecosystems, driving the need for efficient removal technologies. Two-dimensional metal–organic frameworks (2D MOFs) are promising adsorbents due to their tunable structures and abundant active sites. In this work, three 2D MOFs, M₃(HHTP)₂ (M = Cu, Ni, Co), were synthesized via a solvothermal method. Among them, Cu₃(HHTP)₂ exhibited superior TC adsorption with a maximum capacity of 302.84 mg/g. The adsorption process, best described by the Langmuir isotherm and pseudo-second-order kinetic models, indicates chemisorption. Mechanistic investigations reveal that the high-activity coordination sites formed by Cu²⁺ due to Jahn–Teller distortion enable strong coordination with TC. This is identified as the key factor governing the differential adsorption performance among the three MOFs. Simultaneously, the surface functional groups facilitate hydrogen bonding, and the advantageous pore structure of the material itself, together forming a synergistic adsorption. This work not only elucidates the microscopic mechanism behind the efficient adsorption of TC by Cu₃(HHTP)₂ but also, through comparative analysis of isostructural MOFs, confirms the decisive role of metal center electronic structure in modulating the adsorption behavior of 2D MOFs. The insights gained from this study may serve as a reference for the design of 2D high-performance adsorbents. Full article

(This article belongs to the Section Materials Chemistry)

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25 pages, 3028 KB

Open AccessArticle

Green Synthesis of Au-Pd Bimetallic Nanoparticles Using Aspalathin and Their Toxicity Study

by Naledi D. Seatle, Akeem O. Akinfenwa, Keenau M. Pearce, Idowu J. Sagbo, Mongi Benjeddou and Ahmed A. Hussein

Molecules 2026, 31(5), 910; https://doi.org/10.3390/molecules31050910 - 9 Mar 2026

Viewed by 1103

Abstract

Bimetallic nanoparticles have garnered significant attention in scientific literature due to their diverse applications and unique properties. Concurrently, green synthesis methodologies have emerged as environmentally friendly alternatives, reducing the ecological footprint of nanoparticle production. In this study, the efficient synthesis of Au-Pd bimetallic [...] Read more.

Bimetallic nanoparticles have garnered significant attention in scientific literature due to their diverse applications and unique properties. Concurrently, green synthesis methodologies have emerged as environmentally friendly alternatives, reducing the ecological footprint of nanoparticle production. In this study, the efficient synthesis of Au-Pd bimetallic nanoparticles is presented, utilizing Aspalathus linearis (Burm.f.) R. Dahlgren, commonly known as green rooibos (GR), and its pure bioactive compound, Aspalathin (ASP). Integrating ASP as a pure compound into the green synthesis process offers precise control over nanoparticle characteristics, including size, morphology, and composition. Interestingly, the total extract forms an Au-Pd nanoparticle alloy, while aspalathin forms core–shell nanoparticles. Furthermore, cytotoxicity testing was carried out on selected cell lines to assess their impact on cell viability. The cytotoxicity test on cell lines and cellular uptake analysis demonstrated that none of the tested samples exhibited significant cytotoxic effects. ASP-conjugated bimetallic increased the uptake of the NPs by the cells more than the total extract. The results demonstrated that the Au-Pd bimetallic nanoparticles hold promise for biomedical applications, owing to their enhanced biocompatibility and tailored properties. Full article

(This article belongs to the Special Issue Gold Nanoparticles in Biomedical Applications: Recent Advances and Future Perspectives)

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29 pages, 2023 KB

Open AccessReview

Unlocking the Potential of Macroalgae: Innovative Pretreatment Strategies for Efficient Biorefinery

by Xiucheng Gu and Ying Zhou

Molecules 2026, 31(5), 909; https://doi.org/10.3390/molecules31050909 - 9 Mar 2026

Cited by 1 | Viewed by 753

Abstract

Macroalgae represent a promising third-generation feedstock for biorefinery due to their high biomass productivity and non-reliance on arable land. However, their complex cell wall structure poses a significant barrier to efficient bioconversion. This review integrates current pretreatment methods, including physical, chemical, biological, and [...] Read more.

Macroalgae represent a promising third-generation feedstock for biorefinery due to their high biomass productivity and non-reliance on arable land. However, their complex cell wall structure poses a significant barrier to efficient bioconversion. This review integrates current pretreatment methods, including physical, chemical, biological, and combined approaches, with a focus on their mechanisms, effectiveness, and limitations. Furthermore, it explores the conversion of pretreated macroalgal biomass into bioenergy and biochemicals, such as bioethanol, organic acid and polyhydroxyalkanoate, via microbial fermentation. The review also examines the application of genetic editing tools (e.g., CRISPR-Cas systems) for the targeted modification of macroalgae to improve their inherent characteristics for biorefinery, such as reducing biomass recalcitrance or increasing the content of target carbohydrates. Finally, future perspectives on technological innovations and integrated industrial chains of macroalgal biorefinery are discussed. This review serves as a systematic reference for deepening the understanding of macroalgal cell wall deconstruction processes and supports the development of efficient and environmentally benign pretreatment strategies to advance macroalgal biorefinery toward industrialization. Full article

(This article belongs to the Special Issue Design of Chemically Recyclable Polymers in Sustainable Chemistry: A Minimalist Perspective)

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20 pages, 1838 KB

Open AccessArticle

Iron(II) and Manganese(II) Complexes with N4Py as Dioxygen Activators for α-Pinene Oxidation in Acetonitrile

by Katarzyna Rydel-Ciszek and Andrzej Sobkowiak

Molecules 2026, 31(5), 908; https://doi.org/10.3390/molecules31050908 - 9 Mar 2026

Viewed by 469

Abstract

Iron(II) and manganese(II) complexes with N4Py [N4Py—N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine] have been found to activate O₂ for the oxidation of α-pinene in acetonitrile. For example, for 1 M α-pinene, 0.5 mM [(N4Py)Fe^II]²⁺, and dioxygen as [...] Read more.

Iron(II) and manganese(II) complexes with N4Py [N4Py—N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine] have been found to activate O₂ for the oxidation of α-pinene in acetonitrile. For example, for 1 M α-pinene, 0.5 mM [(N4Py)Fe^II]²⁺, and dioxygen as an oxidant, 90 mM α-pinene epoxide, 48 mM verbenol, and 50 mM verbenone have been formed, which, taking into account the concentrations of the minor products (myrtenol and myrtenal), gives a turnover number approximately equal to 400. Based on the amounts of products formed, the conversion of α-pinene is approximately 20% and 18% for iron and manganese catalysts, respectively. Although the manganese catalyst is somewhat less effective than the iron catalyst, the selectivity of the products is similar for both catalysts. Replacement of dioxygen with air as the oxidant causes the reaction yield to be lower. The proposed mechanism assumes the formation of a metal(IV)-oxo complex [(N4Py)M^IV=O]²⁺, M–Fe or Mn, during the simultaneous combination of a catalyst, O₂, and substrate, and its subsequent reactions toward the observed products. Full article

(This article belongs to the Special Issue Advances in Coordination Chemistry, 3rd Edition)

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22 pages, 2146 KB

Open AccessArticle

Combining Temozolomide with a Selective CK2 Inhibitor Results in Anti-Tumour Effects in Glioblastoma Cell Lines

by Anne S. Boewe, Hendrik Rumler, Dagmar Aichele, Thomas Bödeker, Matthias W. Laschke, Emmanuel Ampofo, Joachim Jose and Claudia Götz

Molecules 2026, 31(5), 907; https://doi.org/10.3390/molecules31050907 - 9 Mar 2026

Viewed by 769

Abstract

Glioblastoma is one of the most aggressive tumours with a poor prognosis and a modest survival rate after diagnosis. Several trials for a more targeted and effective treatment are in progress. Protein kinase CK2 is upregulated in glioblastoma and creates a favourable environment [...] Read more.

Glioblastoma is one of the most aggressive tumours with a poor prognosis and a modest survival rate after diagnosis. Several trials for a more targeted and effective treatment are in progress. Protein kinase CK2 is upregulated in glioblastoma and creates a favourable environment for cell proliferation by supporting several survival pathways. Inhibitors of CK2 kinase activity were shown to restrict growth rate or to induce apoptosis in different cell culture and animal models. Recently, we described the selective CK2 inhibitor 6,7-dichloro-1,4-dihydro-8-hydroxy-4(4 methylphenylamino)methylen]dibenzo [b,d]furan 3(2H)-one (TF). In this study, we found that TF effectively reduces the proliferation of A1207 glioblastoma cells with an EC₅₀ value of 13.7 µM, which is equal to the EC₅₀ value of CX-4945, which was the first CK2 inhibitor in clinical phase II trials (13.9 µM). We investigated the effect of TF and temozolomide (TMZ) as a single or combination treatment in two glioblastoma cell lines, A1207 and U87. The treatment was carried out over 48 or 72 h, and, subsequently, the biological effects were evaluated. The proliferation of both cell lines was significantly impaired by the application of the drugs, and combination treatment with TF and TMZ proved superior to the individual treatments. Not only proliferation, as determined by cell confluence assays and BrdU incorporation, but also viability in terms of metabolic activity and cytotoxicity were affected by the treatment. The decrease in proliferation and viability is partly due to the induction of apoptosis, with both cell lines differing in terms of the pattern of apoptotic caspases. Taken together, TF in combination with TMZ may be a promising candidate for the treatment of glioblastoma in the future. Full article

(This article belongs to the Section Medicinal Chemistry)

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22 pages, 4892 KB

Open AccessArticle

GC-MS Analysis and Antioxidant Evaluation of Essential Oils from Chimonanthus salicifolius and Chimonanthus nitens

by Ailan Pan, Xingfan Gu, Miao Zheng, Longqing Chen and Nan Yang

Molecules 2026, 31(5), 906; https://doi.org/10.3390/molecules31050906 - 9 Mar 2026

Viewed by 668

Abstract

Chimonanthus salicifolius and Chimonanthus nitens are widely used in the food and pharmaceutical industries. Traditionally, their stems and leaves have been consumed as herbal tea substitutes in folk practices, possessing both medicinal and edible values. They represent typical dual-purpose plants for both medicinal [...] Read more.

Chimonanthus salicifolius and Chimonanthus nitens are widely used in the food and pharmaceutical industries. Traditionally, their stems and leaves have been consumed as herbal tea substitutes in folk practices, possessing both medicinal and edible values. They represent typical dual-purpose plants for both medicinal and tea applications and are distinctive ethnic She medicinal resources. This study used the flowers, stems, and leaves of C. salicifolius and C. nitens as materials to analyze the chemical components of six essential oils and evaluate their antioxidant and antibacterial activities. We extracted their essential oils through steam distillation, followed by an analysis of their volatile chemical components using gas chromatography–mass spectrometry (GC-MS). Hydroxyl radical (•OH), 1,1-diphenyl-2-picryl hydrazyl (DPPH) and the ferric reducing ability of plasma (FRAP) were used to evaluate the antioxidant activities of the different essential oils. The results showed that the extraction rates of both Chimonanthus species followed the order of leaf > flower > stem. Among them, the essential oil extraction rate from the leaves of C. salicifolius was the highest (2.22%), followed by that from the leaves of C. nitens (0.84%). A total of 83 volatile components were identified from the six extracted essential oils, demonstrating significant compositional differences (p < 0.05). Eucalyptol is the main component and has the highest relative content in the essential oils of both plant leaves, with (54.65 ± 1.03%) in C. salicifolius and (52.28 ± 1.03%) in C. nitens. Antioxidant experiments revealed that the leaf essential oil exhibited the strongest •OH scavenging activity (IC50 = 39.47 ± 5.57 μL·mL⁻¹), while the stem of C. salicifolius showed the highest DPPH scavenging activity (IC50 = 20.78 ± 3.86), and the flower part demonstrated the best FRAP power. Additionally, a preliminary evaluation of the antibacterial activity of these two Chimonanthus leaf essential oils indicated that their minimum inhibitory concentration (MIC) against Staphylococcus aureus, Bacillus pumilus, and Bacillus subtilis was consistently 50 µL·mL⁻¹. This study systematically analyzed the chemical composition, antioxidant activity, and antibacterial activity of essential oils from different parts of C. salicifolius and C. nitens, revealing differences in yield, component composition, and biological activity between the two species. The findings provide scientific evidence for the development and application of essential oils from Chimonanthus plants. Full article

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5 pages, 256 KB

Open AccessEditorial

Molecules Editorial: 30 Years of Molecules—An Editor’s Experiences and Visions for the Future

by Thomas J. Schmidt

Molecules 2026, 31(5), 905; https://doi.org/10.3390/molecules31050905 - 9 Mar 2026

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Abstract

Dear readers, authors, reviewers, editors, coworkers and staff of Molecules! [...] Full article

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11 pages, 1862 KB

Open AccessArticle

Computational Insights into the Relationship Between Solution Concentration and Adsorption Energy

by Wangyan Lv, Wenjie Zhou, Ming Nie, Chenyang Yao, Zhong’ao Wang, Yongchun Liang, Songyu Xie and Chaofang Dong

Molecules 2026, 31(5), 904; https://doi.org/10.3390/molecules31050904 - 9 Mar 2026

Viewed by 365

Abstract

The electrochemical interaction between aggressive ions and metals plays a key role in corrosion failure processes. The Langmuir adsorption isotherm equation was employed to reveal that surface coverage remains largely unchanged at higher concentrations, with the concentration effect partially mediated by the dielectric [...] Read more.

The electrochemical interaction between aggressive ions and metals plays a key role in corrosion failure processes. The Langmuir adsorption isotherm equation was employed to reveal that surface coverage remains largely unchanged at higher concentrations, with the concentration effect partially mediated by the dielectric properties of the solution. The work function and adsorption energy of two typical corrosive elements, Cl and S, adsorbed on the surfaces of two metals (Al and Cu) were systematically calculated. By adjusting solubilization parameters in different implicit solvent models, variations in dielectric properties at similar surface coverage under different concentrations were simulated. It was observed that as the solution concentration increased, the electrostatic shielding effect of the surface solution was enhanced, while the changes in adsorption energy were not statistically significant. However, the work function was found to increase by approximately 20–90 meV with increasing concentration, with the magnitude of this increase dependent on the metal type and surface orientation. This enhancement further strengthened the adsorbate–substrate interaction, thereby influencing the electrochemical reaction kinetics of the surface material. Full article

(This article belongs to the Section Materials Chemistry)

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14 pages, 1746 KB

Open AccessArticle

Bioconversion of Organosolv Lignin by Rumen Bacterium: Isolation, Characterization and Metabolic Profiling

by Jéssica Pinheiro Silva, Jailson Novaes de Miranda, Sofia Chacon Prates Uchoa, Artur Carvalho Stranz, Rosália Loriano de Santana, Pedro Ricardo Vieira Hamann, Alonso R. Poma Ticona, Thomas Christopher Rhys Williams, Fernando Araripe Gonçalves Torres, Roberto Castellanos and Eliane Ferreira Noronha

Molecules 2026, 31(5), 903; https://doi.org/10.3390/molecules31050903 - 9 Mar 2026

Viewed by 574

Abstract

Residual lignin generated by pulp, paper, and biorefining industries is commonly burned for energy, despite its potential as a renewable source of aromatic compounds. Studies focusing on microbial lignin degradation contribute to lignin valorization and represent a sustainable strategy to enhance biomass circularity. [...] Read more.

Residual lignin generated by pulp, paper, and biorefining industries is commonly burned for energy, despite its potential as a renewable source of aromatic compounds. Studies focusing on microbial lignin degradation contribute to lignin valorization and represent a sustainable strategy to enhance biomass circularity. Here, we report the isolation of Klebsiella sp. IL2_9 from a ruminal consortium and demonstrate its ability to degrade and metabolize organosolv lignin. After 24 h of cultivation, the strain removed 22% of the initial lignin content. FTIR analysis revealed alterations in functional groups associated with guaiacyl and syringyl units, indicating structural modification of the polymer. GC–MS analyses further showed the consumption of lignin-derived aromatics, including vanillin, 2-aminobenzoic acid, and 4-hydroxybenzoic acid, along with the formation of vanillyl alcohol and phenyllactic acid derivatives. Overall, these findings highlight the potential of Klebsiella sp. IL2_9 as a promising biotechnological candidate for lignin valorization under anaerobic conditions. Full article

(This article belongs to the Special Issue Green Chemistry Strategies for Biomass Valorization)

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17 pages, 3763 KB

Open AccessArticle

Boosting Photocatalytic CO₂ Cycloaddition via Dual-Active Site Coordination over Amino-Functionalized UiO-66(Zr)

by Yajing Lv, Haohao Yan, Wenhui Ye, Lin Ye, Jinmei Chen, Yutong Lin, Shuying Zhu, Dengrong Sun, Xiyao Liu and Ruowen Liang

Molecules 2026, 31(5), 902; https://doi.org/10.3390/molecules31050902 - 9 Mar 2026

Viewed by 630

Abstract

CO₂ cycloaddition with epoxides offers a sustainable route for CO₂ utilization, yet the simultaneous activation of both substrates remains challenging. Herein, using UiO-66(Zr)-NH₂ (denoted as UZN) as a model system, we illustrate that dual-active sites consisting of unsaturated Zr⁴⁺ [...] Read more.

CO₂ cycloaddition with epoxides offers a sustainable route for CO₂ utilization, yet the simultaneous activation of both substrates remains challenging. Herein, using UiO-66(Zr)-NH₂ (denoted as UZN) as a model system, we illustrate that dual-active sites consisting of unsaturated Zr⁴⁺ centers and amine groups can efficiently accelerate CO₂ fixation with epoxides under visible light. The unique ensemble in UZN optimizes light harvesting, promotes charge carrier separation, and enriches bifunctional active sites for efficient adsorption and activation of epoxides and CO₂. Consequently, UZN exhibits significantly improved CO₂-epoxide cycloaddition performance compared to UiO-66(Zr)-H (denoted as UZH), achieving a PC yield of 99.5%, with a production rate of 9.97 mmol·g⁻¹·h⁻¹. This work establishes a clear coordination–photocatalytic synergy in MOF-based systems and provides fundamental insights and a generalizable strategy for designing advanced catalysts for CO₂ transformation. Full article

(This article belongs to the Section Photochemistry)

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22 pages, 3035 KB

Open AccessReview

Porphyromonas gingivalis-Associated Modulation of β-Catenin Signaling in Oral Squamous Cell Carcinoma: Molecular Perspectives from Periodontal Dysbiosis

by Nada Tawfig Hashim, Rasha Babiker, Riham Mohammed, Mariam Elsheikh, Vivek Padmanabhan, Md Sofiqul Islam, Malaz Gesm Elseed, Nallan C. S. K. Chaitanya, Bogahawatte Samarakoon Mudiyanselage Samadarani Siriwardena, Muhammed Mustahsen Rahman and Bakri Gobara Gismalla

Molecules 2026, 31(5), 901; https://doi.org/10.3390/molecules31050901 - 9 Mar 2026

Viewed by 705

Abstract

Periodontal disease and oral squamous cell carcinoma (OSCC) are highly prevalent conditions that contribute substantially to global morbidity, as documented by recent Global Burden of Disease analyses. The growing epidemiologic and experimental literature has prompted interest in potential links between chronic periodontal dysbiosis—particularly [...] Read more.

Periodontal disease and oral squamous cell carcinoma (OSCC) are highly prevalent conditions that contribute substantially to global morbidity, as documented by recent Global Burden of Disease analyses. The growing epidemiologic and experimental literature has prompted interest in potential links between chronic periodontal dysbiosis—particularly infection with Porphyromonas gingivalis—and molecular pathways involved in oral carcinogenesis, including β-catenin signaling. This narrative review synthesizes epidemiologic, clinical, and experimental studies examining associations between periodontal disease, P. gingivalis, and OSCC, with focused evaluation of β-catenin as a context-dependent signaling component within broader inflammatory and metabolic networks. Population-based studies report heterogeneous associations between periodontitis and OSCC that are frequently confounded by tobacco use, alcohol consumption, and socioeconomic factors, supporting correlation rather than causal inference. Experimental investigations in vitro and in vivo demonstrate that P. gingivalis can influence β-catenin availability and transcriptional activity through noncanonical mechanisms, including junctional disruption, proteolytic interference with regulatory complexes, and interaction with inflammatory, immune, and metabolic pathways. However, these findings derive largely from simplified model systems and should be interpreted as biologically plausible rather than definitive for human disease. Rather than acting as a dominant oncogenic driver, β-catenin appears to function as an integrative signaling node within a complex network shaped by chronic microbial and inflammatory stress. The principal contribution of this review lies in critically integrating dispersed evidence across study types while explicitly distinguishing association, mechanistic plausibility, and causality. Future longitudinal human studies and mechanistically informed experimental models are required to clarify whether modulation of periodontal dysbiosis or associated signaling pathways has relevance for OSCC risk assessment or prevention. Full article

(This article belongs to the Section Chemical Biology)

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19 pages, 1141 KB

Open AccessArticle

Per- and Polyfluoroalkyl Substances in Urine Samples from Eight-Year-Old Children Living in Northwest Spain

by Arianna Bautista, Guillermo Fernandez-Tardon, Marta M. Rodríguez-Suárez, Adonina Tardon, Natalia Bravo, Mercè Garí, Joan O. Grimalt, Marta Llorca and Marinella Farré

Molecules 2026, 31(5), 900; https://doi.org/10.3390/molecules31050900 - 9 Mar 2026

Viewed by 823

Abstract

Per- and polyfluoroalkyl substances (PFAS) are synthetics prized for their chemical stability and functionality. Legacy PFAS such as perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) have been phased out due to their persistence and toxicity. This study assessed exposure to both legacy and [...] Read more.

Per- and polyfluoroalkyl substances (PFAS) are synthetics prized for their chemical stability and functionality. Legacy PFAS such as perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) have been phased out due to their persistence and toxicity. This study assessed exposure to both legacy and emerging PFAS in 281 urine samples from 8-year-old children participating in the (Infancia y Medio Ambiente) INMA Asturias birth cohort (northwest Spain), a region with a strong industrial background. Dietary and household information was collected via questionnaires, and urine samples were analysed using ultra-high-performance liquid chromatography (UHPLC) coupled with high-resolution mass spectrometry (HRMS) with full-scan acquisition in independent all-ion fragmentation mode. A suspected screening approach was applied to discover previously unreported PFAS and expand the detectable chemical profile, complemented by targeted analysis of 29 compounds selected for their persistence and regulatory relevance. Among them, 17 compounds were confirmed and quantified. The combined targeted and suspect-screening approach also identified novel PFAS, including fluorotelomer carboxylic acids, demonstrating the value of LC-HRMS for detecting unregulated compounds. Emerging PFAS showed the highest detection frequencies and concentrations: trifluoroacetic acid (TFA) and hexafluoropropylene oxide dimer acid (HFPO-DA, GenX) were detected in 63% and 27% of samples, respectively, with GenX reaching 10.1 ng/mL, whereas PFOA and PFOS were detected less frequently (8.5% and 3.2%) and at concentrations below 1 ng/mL, highlighting the need for epidemiological studies to achieve comprehensive PFAS exposure assessments. Associations with dietary habit exposure estimates point to dairy, protein-rich foods, vegetables, and drinking water as the main contributors. Full article

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2 pages, 131 KB

Open AccessCorrection

Correction: Sun et al. New Non-Fullerene Acceptor with Extended Conjugation of Cyclopenta [2,1-b:3,4-b’] Dithiophene for Organic Solar Cells. Molecules 2022, 27, 7615

by Cheng Sun, Sanseong Lee, Changeun Choi, Soyeong Jeong, Juhui Oh, Ju-Hyeon Kim, Jaeyoung Kim, Ho Eon Baek, Hongkyu Kang, Soo-Young Jang, Hyun Ho Choi, Kwanghee Lee and Yun-Hi Kim

Molecules 2026, 31(5), 899; https://doi.org/10.3390/molecules31050899 - 9 Mar 2026

Viewed by 346

Abstract

In the original publication [...] Full article

14 pages, 2436 KB

Open AccessArticle

Date Palm Pollen (Phoenix dactylifera L.) Phytoestrogens as Natural Modulators of Estrus in Goats: A Molecular and Phytochemical Insight

by Amr Kchikich, Anass Ben Moula, Ayoub Kounnoun, Said Barrijal, Mohammed El Maadoudi, Nathalie Kirschvink, Youssef Chebli, Samira El Otmani, Bouchra El Amiri, Naoual Alahlah and Mouad Chentouf

Molecules 2026, 31(5), 898; https://doi.org/10.3390/molecules31050898 - 9 Mar 2026

Cited by 1 | Viewed by 589

Abstract

Reproductive management in goats remains challenging due to seasonal breeding and the use of hormones that raise concerns about immunogenicity, cost, sustainability, and animal welfare. In this study, we evaluated date palm pollen (Phoenix dactylifera L.) (DPP) as a natural source of [...] Read more.

Reproductive management in goats remains challenging due to seasonal breeding and the use of hormones that raise concerns about immunogenicity, cost, sustainability, and animal welfare. In this study, we evaluated date palm pollen (Phoenix dactylifera L.) (DPP) as a natural source of estrogenic compounds capable of modulating reproductive function. DPP was extracted using methanol, ethanol, acetone, and hexane, and the extracts were analyzed by ultra-performance liquid chromatography. Quercetin and coumestrol were detected in the methanolic and ethanolic extracts at comparable levels (quercetin 0.043–0.044 mg/g; coumestrol 0.987–1.015 mg/g of extract) (p > 0.05). The acetone extract contained significantly lower concentrations (quercetin 0.017 mg/g; coumestrol 0.033 mg/g of extract), while the hexane extract showed no detectable amounts. Molecular docking using the crystallographic structure of estrogen receptor alpha (PDB:6PIT) showed that both compounds interact with key residues of the receptor’s ligand-binding domain. Coumestrol exhibited the highest affinity (−9.3 kcal/mol), surpassing 17-β estradiol (−8.9 kcal/mol), forming several hydrogen bonds and hydrophobic contacts. Quercetin showed a lower affinity (−7.2 kcal/mol) but maintained stabilizing interactions compatible with partial agonist activity. Overall, methanol and ethanol were the most effective solvents for extracting phytoestrogens from DPP, and the findings support their potential as natural alternatives to hormones for estrus induction in goats. Full article

(This article belongs to the Special Issue Plant Volatile Organic Compounds: Extraction, Characterization and Biological Activities)

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12 pages, 1189 KB

Open AccessArticle

Engineering Correlation-Driven Magnetism by Atomic Substitution in Metal-Free Phenalenyl-Based Two-Dimensional Polymers

by Shiru Yang, Xin Guo, Jing Wang, Bin Shao and Xu Zuo

Molecules 2026, 31(5), 897; https://doi.org/10.3390/molecules31050897 - 8 Mar 2026

Viewed by 492

Abstract

Metal-free two-dimensional (2D) polymers built from open-shell π-conjugated units offer a promising platform for realizing correlation-driven magnetism without transition metal elements. Here, we present a systematic first-principles study of phenalenyl-based 2D polymers that elucidates how atomic-level chemical substitution controls magnetic order through the [...] Read more.

Metal-free two-dimensional (2D) polymers built from open-shell π-conjugated units offer a promising platform for realizing correlation-driven magnetism without transition metal elements. Here, we present a systematic first-principles study of phenalenyl-based 2D polymers that elucidates how atomic-level chemical substitution controls magnetic order through the interplay of electronic correlation and sublattice symmetry. Combining density functional theory with an effective tight-binding and Hubbard model analysis, we show that atomic substitution with boron or nitrogen on phenalenyl building blocks acts as a sublattice-resolved tuning knob for both the ratio of on-site Coulomb interaction to inter-site hopping (U/t) and the relative on-site energies of the two sublattices. Sublattice-asymmetric substitution with boron or nitrogen breaks sublattice equivalence and drives the system from an antiferromagnetic Mott-insulating state into spin-polarized semiconducting phases with pronounced spin-dependent gaps. In contrast, uniform substitution on both sublattices preserves symmetry and yields nonmagnetic metallic states characterized by rigid band shifts rather than correlation-driven spin polarization. These results establish a unified microscopic framework in which electronic correlations and sublattice symmetry emerge as cooperative yet independently tunable parameters, providing general design principles for metal-free 2D π-conjugated materials with tailored magnetic and spintronic functionalities. Full article

(This article belongs to the Section Physical Chemistry)

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21 pages, 11151 KB

Open AccessArticle

Investigating the Role of Ferrous Ions in Depressing Calcite to Achieve Selective Rhodochrosite Flotation: Surface Chemistry and Experimental Insights

by Xiao Meng, Yanhai Shao, Hongqin Chen, Xinru Jia, Hong Lin, Chengxiang Li and Jinhui Li

Molecules 2026, 31(5), 896; https://doi.org/10.3390/molecules31050896 - 8 Mar 2026

Viewed by 510

Abstract

Modulating surface characteristics via metal ions has proven to be a successful approach to enhance the flotation efficiency of carbonates. Consequently, this research thoroughly examines how ferrous ions (Fe²⁺) influence the selective separation of rhodochrosite from calcite. Flotation experiments revealed that [...] Read more.

Modulating surface characteristics via metal ions has proven to be a successful approach to enhance the flotation efficiency of carbonates. Consequently, this research thoroughly examines how ferrous ions (Fe²⁺) influence the selective separation of rhodochrosite from calcite. Flotation experiments revealed that at pH 9.0, Fe²⁺ strongly depressed calcite flotation (recovery < 20%) while exerting a negligible influence on the floatability of rhodochrosite (recovery > 75%), enabling effective selective separation. To elucidate the underlying mechanism, contact angle measurements, zeta potential analysis, ToF-SIMS, SEM-EDS, XPS and Visual MINTEQ solution chemistry calculations were employed to characterize mineral surface properties. The results demonstrate that Fe²⁺ undergoes chemisorption onto the calcite surface, inducing the formation of a dense, uniform iron hydroxide layer. This layer creates a stable hydrophilic barrier that inhibits collector adsorption. In contrast, only a thin, discontinuous layer forms on the rhodochrosite surface, which is insufficient to hinder collector interaction. These findings reveal the intrinsic mechanism of selective interfacial regulation by ferrous ions, providing a new theoretical basis for the flotation separation of refractory carbonate minerals. Full article

(This article belongs to the Special Issue Green Chemistry in China: Advancing Sustainable Science for a Better World)

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45 pages, 619 KB

Open AccessArticle

Major Low-Molecular-Weight Metabolites from Freshwater Aquatic Macrophytes: Ecological Aspects

by Evgeny A. Kurashov, Julia V. Krylova, Alexandra M. Chernova, Yulia V. Bataeva, Eugeny A. Belyakov, Alexander G. Lapirov, Vlada V. Anikina, Viktor A. Grebennikov and Elizaveta Ya. Yavid

Molecules 2026, 31(5), 895; https://doi.org/10.3390/molecules31050895 - 8 Mar 2026

Viewed by 630

Abstract

Freshwater macrophytes shape not only the morphological “architecture” of shallow-water ecosystems but also their chemical milieu via low-molecular-weight organic compounds (LMWOCs) that may regulate phytoplankton, periphyton, and the microbiome within the leaf/shoot diffusive boundary layer and the surrounding water column. In this study, [...] Read more.

Freshwater macrophytes shape not only the morphological “architecture” of shallow-water ecosystems but also their chemical milieu via low-molecular-weight organic compounds (LMWOCs) that may regulate phytoplankton, periphyton, and the microbiome within the leaf/shoot diffusive boundary layer and the surrounding water column. In this study, GC–MS (gas chromatography–mass spectrometry) was used to identify major LMWOCs of the low-molecular-weight metabolome (LMWM) in 11 widely distributed macrophyte species (Myriophyllum spicatum L., Sparganium emersum Rehm., Sparganium gramineum Georgi, the hybrid Sparganium × foliosum A. A. Bobrov, Volkova, Mochalova et Chemeris, Persicaria amphibia (L.) Delarbre, Potamogeton perfoliatus L., Nuphar lutea (L.) Sibth. & Sm., Potamogeton pectinatus L., Potamogeton natans L., Lobelia dortmanna L., and Ceratophyllum demersum L.). Compounds contributing more than 1% to the total LMWOCs pool were considered major, increasing the ecological realism of interpretations by focusing on metabolites more likely to reach effective concentrations in the plant microenvironment. For interspecific comparisons, the maximum recorded values of relative abundance and concentrations were used to estimate species “potential”. In total, 137 major LMWOCs were detected (four remained unidentified), and their numbers varied markedly among taxa (from 11 in N. lutea to 71 in P. perfoliatus). Similarity analyses (Jaccard, Sørensen–Czekanowski, Morisita–Horn) indicated that similarity based on compound lists and similarity based on dominance structure may diverge, reflecting differences between the “LMWOCs set” and the quantitative architecture of LMWOCs within the LMWM. Fatty acids formed the core of the major fraction in all species: they were among the top three compounds in all 11 macrophytes and ranked first or second in 10 of 11, highlighting the lipid module as a universal “structure–signaling–defense/allelopathy” hub in aquatic plants. Also, an analysis of the ecological-biochemical role of the main major LMWOCs in the studied aquatic macrophytes is presented. Overall, the data offer a comparable, ecologically oriented framework for interpreting chemical regulation of communities in macrophyte-dominated habitats and for selecting target compounds/species for subsequent bioassay and field studies. Full article

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

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30 pages, 3394 KB

Open AccessReview

Glycoside Compounds from Blood-Nourishing Chinese Medicinal Herbs: Structural Characteristics, Pharmacological Mechanisms, and Therapeutic Potential for Thrombocytopenia

by Jianqin Tang, Hai Li, Jun Du, Yanjun Zhang, Jianming Wu, Xi Du and Xiaoqin Zhang

Molecules 2026, 31(5), 894; https://doi.org/10.3390/molecules31050894 - 8 Mar 2026

Viewed by 749

Abstract

Thrombocytopenia is a common hematological disorder characterized by reduced platelet counts and an increased risk of bleeding, for which current pharmacological treatments are often limited by adverse effects, drug resistance, or high costs. Traditional Chinese medicinal herbs such as ginseng, notoginseng, peony root, [...] Read more.

Thrombocytopenia is a common hematological disorder characterized by reduced platelet counts and an increased risk of bleeding, for which current pharmacological treatments are often limited by adverse effects, drug resistance, or high costs. Traditional Chinese medicinal herbs such as ginseng, notoginseng, peony root, and astragalus have long been used for blood-nourishing and qi-tonifying purposes and are frequently prescribed for conditions associated with blood deficiency and hematopoietic dysfunction. This review systematically summarizes glycoside compounds derived from these herbs, focusing on their structural characteristics and pharmacological activities relevant to thrombocytopenia. Accumulating evidence indicates that glycosylation enhances the solubility, bioavailability, and stability of aglycones, thereby influencing their biological effects. Preclinical studies suggest that glycoside compounds may improve the hematopoietic microenvironment through anti-inflammatory, antioxidant, and immunomodulatory actions, potentially reducing immune-mediated platelet destruction. In addition, they may promote thrombopoiesis by modulating hematopoietic signaling pathways, such as PI3K/AKT, and by restoring immune balance, particularly via regulation of the Treg/Th17 axis. Collectively, these multi-target effects on hematopoiesis and immune regulation highlight glycoside compounds as promising lead candidates for the development of novel therapeutic approaches to thrombocytopenia. Full article

(This article belongs to the Section Natural Products Chemistry)

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25 pages, 1551 KB

Open AccessReview

Interactions Between Plant-Derived Psychoactive Substances and Escherichia coli

by Joanna Wróblewska, Anna Długosz, Martyna Modrzejewska, Marcin Wróblewski, Damian Czarnecki and Alina Woźniak

Molecules 2026, 31(5), 893; https://doi.org/10.3390/molecules31050893 - 8 Mar 2026

Viewed by 575

Abstract

Naturally occurring psychoactive substances, such as opioids, cocaine, and cannabinoids, affect not only the central nervous system but also the functioning of the microbiota–gut–brain axis. Available evidence indicates that their use is associated with changes in the gut microbiota and modulation of immune [...] Read more.

Naturally occurring psychoactive substances, such as opioids, cocaine, and cannabinoids, affect not only the central nervous system but also the functioning of the microbiota–gut–brain axis. Available evidence indicates that their use is associated with changes in the gut microbiota and modulation of immune responses. Escherichia coli, a permanent component of the gut microbiota under conditions favoring dysbiosis, can enhance inflammatory responses and influence neuroimmunological mechanisms related to the development of addiction. This study aims to review and analyze the available literature concerning the effects of selected naturally derived psychoactive substances on E. coli and on the functioning of the microbiota–gut–brain axis, with particular emphasis on inflammatory processes and their potential significance in the pathogenesis of addiction. Full article

(This article belongs to the Special Issue Interactions of Plant-Derived Foods and Medicines with the Gut Microbiome)

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19 pages, 2189 KB

Open AccessArticle

Inhibitory Mechanism of Oregano Essential Oil Emulsion Against Colletotrichum gloeosporioides in Mangoes and Its Regulatory Effects on Postharvest Quality

by Qun Liu, Qi Song, Wenjie Hou, Li Li, Baishu Li, Lixiang Zhang, Tao Liu and Yang Liu

Molecules 2026, 31(5), 892; https://doi.org/10.3390/molecules31050892 - 7 Mar 2026

Viewed by 579

Abstract

In response to the growing need for sustainable and safe postharvest strategies, plant essential oils have emerged as promising natural alternatives to synthetic fungicides. Mango (Mangifera indica L.), as a vital tropical fruit, suffers significant postharvest losses due to anthracnose caused by [...] Read more.

In response to the growing need for sustainable and safe postharvest strategies, plant essential oils have emerged as promising natural alternatives to synthetic fungicides. Mango (Mangifera indica L.), as a vital tropical fruit, suffers significant postharvest losses due to anthracnose caused by Colletotrichum gloeosporioides. This study investigated the antifungal efficacy of oregano essential oil (OEO) against C. gloeosporioides and its regulatory effects on the postharvest quality of mango fruit. The potent antifungal activity of OEO is demonstrated by its low MIC (0.005%) and MFC (0.01%) against C. gloeosporioides. The antifungal mechanism was primarily attributed to the disruption of plasma membrane integrity of C. gloeosporioides, as indicated by increased propidium iodide uptake, elevated extracellular conductivity, and leakage of cellular proteins. The OEO treatment inhibited peel color transformation, reduced weight loss, maintained firmness, and slowed the increase in the soluble solids content to acidity ratio. Furthermore, OEO enhanced the fruit’s antioxidant capacity by sustaining higher superoxide dismutase activity and suppressing the activities of polyphenol oxidase and peroxidase, leading to a marked reduction in malondialdehyde accumulation. These findings comprehensively demonstrate the dual functionality of OEO as a direct fungicidal agent and a systemic physiological regulator that delays senescence and preserves mango quality. This study underscores the potential of OEO as a sustainable alternative for integrated postharvest management of mango anthracnose, offering insights for its practical application in the fruit industry. Full article

(This article belongs to the Special Issue Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety)

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15 pages, 10388 KB

Open AccessArticle

Heteroatom Engineering in Robust Al-Based MOFs for Efficient Separation of Xenon over Krypton

by He Wang, Zhiyan Zhang, Yingying Xu, Yang Lu, Ying Tian, Guangjie Zhang, Sifan Liu and Shuchen Liu

Molecules 2026, 31(5), 891; https://doi.org/10.3390/molecules31050891 - 7 Mar 2026

Viewed by 570

Abstract

The separation of xenon (Xe) and krypton (Kr) is very important for industrial applications and environmental protection. However, the lack of permanent dipoles, low polarizabilities arising from their spherical nature, and similar kinetic diameters make their efficient separation by porous adsorbents exceptionally challenging. [...] Read more.

The separation of xenon (Xe) and krypton (Kr) is very important for industrial applications and environmental protection. However, the lack of permanent dipoles, low polarizabilities arising from their spherical nature, and similar kinetic diameters make their efficient separation by porous adsorbents exceptionally challenging. This study explored the effects of pore geometry and surface polarity of a series of aluminum-based metal–organic frameworks (CAU-10-H, MIL-160, KMF-1, CAU-23) on Xe/Kr separation performance using a heteroatom engineering strategy. These MOFs are composed of AlO₆ clusters and bent dicarboxylic acid linkers, enabling us to systematically investigate the effects of pore size and heteroatom types on Xe/Kr separation performance. Among them, MIL-160 has a polar linker based on furan, showing the best balance performance. At 298 K and 1.0 bar, the uptake of Xe is 4.12 mmol g⁻¹ and the IAST selectivity is 7.63 for a Xe/Kr (20/80) mixture. The practical performance was verified by dynamic breakthrough experiments, which yielded a long Xe breakthrough time of 42.9 min g⁻¹. Grand Canonical Monte Carlo (GCMC) simulations and first-principles density functional theory (DFT) calculations revealed that the enhanced performance originates from cooperative confinement and polarization effects, with the furanyl oxygen atoms providing optimal Xe-binding sites. This work clarifies the structure–property relationships governing Xe/Kr separation in aluminum-based MOFs (Al-MOFs), highlighting the potential of heteroatom engineering for designing efficient noble gas adsorbents. Full article

(This article belongs to the Section Inorganic Chemistry)

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25 pages, 9777 KB

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The Role of Graphene Oxide and Zinc Oxide Nanoparticles in Enhancing the Effectiveness of Phytoremediation of Petroleum Hydrocarbon-Contaminated Soils Using Lolium perenne

by Katarzyna Wojtowicz, Teresa Steliga, Piotr Kapusta and Joanna Brzeszcz

Molecules 2026, 31(5), 890; https://doi.org/10.3390/molecules31050890 - 7 Mar 2026

Viewed by 569

Abstract

Nanomaterials are gaining increasing importance in various scientific and technological fields, including ecological strategies for environmental remediation, such as the treatment of soils contaminated with petroleum hydrocarbons. This study aimed to evaluate the effectiveness of hydrocarbon-contaminated soil remediation using graphene oxide nanoparticles (GO-NPs) [...] Read more.

Nanomaterials are gaining increasing importance in various scientific and technological fields, including ecological strategies for environmental remediation, such as the treatment of soils contaminated with petroleum hydrocarbons. This study aimed to evaluate the effectiveness of hydrocarbon-contaminated soil remediation using graphene oxide nanoparticles (GO-NPs) and zinc oxide nanoparticles (ZnO-NPs) in combination with bacterial consortium inoculation and phytoremediation with Lolium perenne. The study was conducted in two stages: laboratory-scale biodegradation experiments and semi-technical scale phytoremediation. The laboratory stage determined optimal nanomaterial doses based on respirometric and chromatographic analyses. During phytoremediation, the contents of total petroleum hydrocarbons (TPHs) and polycyclic aromatic hydrocarbons (PAHs) in soil, roots, and shoots were monitored. Biomass growth was recorded, and environmental toxicity was assessed using Phytotoxkit, Microtox, and Ostracodtoxkit tests. The addition of nanomaterials significantly enhanced soil remediation, with improvements in TPH and PAHs removal resulting from microbial biodegradation in both stages and, additionally, in the phytoremediation stage, from phytoextraction by plants. TPH biodegradation reached up to 81.85% in GO-NP variants and 80.9% in ZnO-NP treatments, while PAHs reached 73.19% and 70.66%, respectively. The biomass of Lolium perenne increased by 28.63% in GO-NP variants and by 22.21% in ZnO-NP treatments compared to the control. Total accumulation of TPH increased by 80.86% and 74.15%, and PAHs by 71.26% and 65.35%. Nanomaterial-amended variants also showed a reduction in toxicity units to 2.50–3.30. These results indicate that combining nanomaterials with bioaugmentation significantly enhances phytoremediation efficiency while reducing soil toxicity. Full article

(This article belongs to the Special Issue Functional Materials: Synthesis Strategies and Environmental Applications)

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18 pages, 2900 KB

Open AccessArticle

Lignin–Quercetin Hybrid Colloidal Particles as Sustainable Pickering Emulsifiers: A Bio-Based and Functional Approach

by Barbara Miqueletti de Oliveira, Giovana Colucci, Tatiana B. Schreiner, Gert Preegel, Lucimara Lopes da Silva, Arantzazu Santamaria-Echart and Maria-Filomena Barreiro

Molecules 2026, 31(5), 889; https://doi.org/10.3390/molecules31050889 - 7 Mar 2026

Cited by 1 | Viewed by 1954

Abstract

Lignin, the second-most-abundant polymer on Earth, has attracted attention for its value-added applications. Colloidal lignin particles can overcome handling and compatibility issues, offer antioxidant, antimicrobial, and UV-protective properties, and serve as Pickering stabilizers. Plant extracts rich in bioactive compounds, such as polyphenols and [...] Read more.

Lignin, the second-most-abundant polymer on Earth, has attracted attention for its value-added applications. Colloidal lignin particles can overcome handling and compatibility issues, offer antioxidant, antimicrobial, and UV-protective properties, and serve as Pickering stabilizers. Plant extracts rich in bioactive compounds, such as polyphenols and flavonoids (e.g., quercetin), can further enhance lignin-based formulations. In this context, colloidal lignin–quercetin particles (CLQPs) were produced for the first time via antisolvent precipitation and used as Pickering emulsion stabilizers. CLQP dispersions (30 g/L) were prepared by solubilizing lignin and quercetin in 80% (v/v) aqueous acetone solution, followed by precipitation with a pH 8 buffer. A quercetin content of 50% (w/w) (CLQP-50) resulted in predominantly round-shaped lignin–quercetin particles (<1 µm) with a small fraction of quercetin crystals. Both structures contributed to emulsion stabilization, as evidenced by confocal microscopy, a three-phase contact angle of 91.6 ± 0.1°, and a zeta potential of −52.8 ± 2.7 mV. CLQP-50 successfully stabilized Pickering emulsions at a 60/40 oil/water ratio, showing high physical stability (stability index 0.01) and shear-thinning behavior with gel-like consistency. These findings demonstrate the pioneering development of lignin–quercetin hybrid colloidal particles as sustainable and functional Pickering stabilizers, opening new opportunities for advanced cosmetic and pharmaceutical formulations. Full article

(This article belongs to the Special Issue Natural and Sustainable Emulsions: Design, Stabilization, and Functional Applications)

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27 pages, 2780 KB

Open AccessReview

The Evolving Landscape of NMR Structural Elucidation

by Josep Saurí

Molecules 2026, 31(5), 888; https://doi.org/10.3390/molecules31050888 - 7 Mar 2026

Viewed by 1913

Abstract

Nuclear Magnetic Resonance (NMR) spectroscopy has long been a cornerstone in the structural elucidation of molecules, offering unique insights into atomic-level connectivity, conformation, and dynamics. Over the past decades, methodological and technological advances have significantly expanded its capabilities and applications. This manuscript charts [...] Read more.

Nuclear Magnetic Resonance (NMR) spectroscopy has long been a cornerstone in the structural elucidation of molecules, offering unique insights into atomic-level connectivity, conformation, and dynamics. Over the past decades, methodological and technological advances have significantly expanded its capabilities and applications. This manuscript charts the evolution of NMR from classical 1D/2D experiments to modern methods empowered by ultrahigh magnetic fields, cryogenic probes, non-uniform sampling, new methodologies, and hyperpolarization. We emphasize the growing synergy between experiment and computation, where automated analysis, quantum chemical calculations, and machine learning are dramatically enhancing the accuracy and efficiency of structure determination. We also highlight NMR’s broadening scope in areas ranging from complex mixtures and natural products to biomolecular and materials science. Full article

(This article belongs to the Special Issue A Theme Issue in Honor of Professor Gary E. Martin's 75th Birthday)

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26 pages, 10021 KB

Open AccessArticle

Coffee Silverskin Supplementation Alleviates High-Glucose-Diet-Induced Obesity by Modulating Lipogenic Gene Expression in Caenorhabditis elegans Model

by Emily Schifano, Paola Zinno, Fausta Natella, Laura Pompa, Erica Sonaglia, Sophia Spaziani, Mohammad Sharbaf, Francesco Esposito, Teresa Cirillo, Jonathan Squillante, Giuseppe Maglione, Patrizia Mancini, Antonio Angeloni, Maria Laura Santarelli, Chiara Devirgiliis and Daniela Uccelletti

Molecules 2026, 31(5), 887; https://doi.org/10.3390/molecules31050887 - 6 Mar 2026

Viewed by 643

Abstract

Coffee silverskin (CSS), the major by-product of coffee roasting, is reported to contain bioactive compounds, including xanthines and polyphenols, showing promising potential for food and nutraceutical applications. This study investigated the beneficial effects of CSS hydroalcoholic extracts, which were chemically characterized by Attenuated [...] Read more.

Coffee silverskin (CSS), the major by-product of coffee roasting, is reported to contain bioactive compounds, including xanthines and polyphenols, showing promising potential for food and nutraceutical applications. This study investigated the beneficial effects of CSS hydroalcoholic extracts, which were chemically characterized by Attenuated Total Reflectance–Fourier-Transform Infrared Spectroscopy and ElectroSpray Ionization tandem Mass Spectrometry, on Caenorhabditis elegans physiology. CSS supplementation improved healthspan-related parameters and delayed aging-associated functional decline, without significantly extending lifespan in wild-type nematodes. Treated worms exhibited a 57% reduction in reactive oxygen species (ROS) levels and upregulation of antioxidant genes (gst-4 and sod-3), suggesting that CSS mitigates oxidative stress through the DAF-2/DAF-16 pathway. Under high-glucose diet conditions, CSS reduced lipid droplet accumulation and modulated the expression of metabolic genes, including upregulation of nhr-49 which is a key regulator of fatty acid oxidation. CSS restored lipid homeostasis and rescued the shortened lifespan of obese nhr-49 mutant worms, suggesting enhanced β-oxidation. Moreover, CSS modulated serotonergic signaling by increasing tph-1 and ser-6 expression, linking its effects to serotonin-mediated regulation of fat metabolism. Finally, CSS promoted the growth of probiotic strains, suggesting potential prebiotic properties. Overall, these findings identify CSS as a metabolic modulator capable of alleviating oxidative and metabolic stress, supporting its sustainable application in the development of functional foods and nutraceuticals. Full article

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15 pages, 1530 KB

Open AccessArticle

Viscosity-Controlled Magnetic Field Effects in Homogeneous Photoredox Catalysis Enabled by Ionic Liquids

by Mingli Sun, Jie Cheng, Chenli Chen, Jialong Jie, Hongmei Su, Song Gao and Linan Zhou

Molecules 2026, 31(5), 886; https://doi.org/10.3390/molecules31050886 - 6 Mar 2026

Viewed by 581

Abstract

In conventional low-viscosity solvents, magnetic field effects (MFEs) in photoredox catalysis are often negligible because photogenerated radical ion pairs (RIPs) diffuse apart before significant spin evolution occurs. This study reports using ionic liquids (ILs) as a tunable homogeneous “solvent cage” to observe distinct [...] Read more.

In conventional low-viscosity solvents, magnetic field effects (MFEs) in photoredox catalysis are often negligible because photogenerated radical ion pairs (RIPs) diffuse apart before significant spin evolution occurs. This study reports using ionic liquids (ILs) as a tunable homogeneous “solvent cage” to observe distinct low-field MFEs in the phenothiazine-mediated photoinduced reductive dechlorination of aryl chlorides. Experimental results demonstrate that MFEs increase significantly with bulk viscosity, reaching saturation at approximately 1000 Gs with a maximum enhancement of about 15%, consistent with the hyperfine coupling mechanism (HFCM). Femtosecond transient absorption spectroscopy (fs-TA) reveals that the ionic liquid environment effectively reduces the radical cage escape rate, matching it with the spin evolution rate. This allows the external magnetic field to intervene in the back electron transfer (BET) process. However, unlike strongly confined micellar systems, the contribution of the triplet charge recombination (TCR) pathway here is moderate, intrinsically limiting the magnetic enhancement amplitude. These findings establish that MFE magnitude is determined by both viscosity-controlled cage dynamics and the efficiency of the TCR channel, providing a mechanistic basis for designing spin-modulated homogeneous photoredox systems. Full article

(This article belongs to the Special Issue Advances in Organic Synthesis in Pharmaceuticals, Agrochemicals and Materials—2nd Edition)

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19 pages, 3171 KB

Open AccessArticle

Rheological and Bioactive Profile of Gelatin—Hemp Protein Hydrogels

by Szymon Juchniewicz and Joanna Harasym

Molecules 2026, 31(5), 885; https://doi.org/10.3390/molecules31050885 - 6 Mar 2026

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Abstract

The aim of this study was to investigate the effect of hemp protein addition on the structural, rheological, textural, color, and bioactive properties of gelatin hydrogels. Composite systems containing 0–20% hemp protein were analyzed to clarify the mechanism of interaction with the gelatin [...] Read more.

The aim of this study was to investigate the effect of hemp protein addition on the structural, rheological, textural, color, and bioactive properties of gelatin hydrogels. Composite systems containing 0–20% hemp protein were analyzed to clarify the mechanism of interaction with the gelatin matrix and to determine whether hemp protein acts as a passive filler or an active structure-forming component. In all formulations, the gelatin concentration was kept constant at 5% (w/w), while hemp protein was added at increasing levels without replacing the gelatin phase, resulting in systems with increasing total solid content. The addition of hemp protein significantly enhanced water-holding capacity and gel strength, as confirmed by rheological measurements and texture profile analysis. Thermorheological analysis revealed a gradual transition from a classic thermoreversible gelatin gel to reinforced composite networks, with the viscoelastic response increasingly governed by the hemp protein structure at higher concentrations (15–20%). Frequency- and amplitude-sweep tests demonstrated improved mechanical stability and reduced frequency dependence. FTIR analysis indicated reorganization of hydrogen bonding and an increasing contribution of hydrophobic interactions related to the lipid fraction of hemp protein. Furthermore, the addition of hemp protein led to a marked increase in antioxidant activity (ABTS and FRAP) and significant changes in color parameters. These results demonstrate that hemp protein functions as an active structural and functional component in gelatin hydrogels, enabling the development of materials with tailored mechanical properties and enhanced bioactivity. Full article

(This article belongs to the Section Materials Chemistry)

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