Molecules

25 pages, 745 KiB

Open AccessReview

Design and Application of Superhydrophobic Magnetic Nanomaterials for Efficient Oil–Water Separation: A Critical Review

by Rabiga M. Kudaibergenova, Elvira A. Baibazarova, Didara T. Balpanova, Gulnar K. Sugurbekova, Aizhan M. Serikbayeva, Marzhan S. Kalmakhanova, Nazgul S. Murzakasymova, Arman A. Kabdushev and Seitzhan A. Orynbayev

Molecules 2025, 30(15), 3313; https://doi.org/10.3390/molecules30153313 - 7 Aug 2025

Viewed by 603

Abstract

Superhydrophobic magnetic nanomaterials (SHMNMs) are emerging as multifunctional platforms for efficient oil–water separation due to their combination of extreme water repellency, strong oil affinity, and external magnetic responsiveness. This review presents a comprehensive analysis of recent advances in the design, synthesis, and environmental [...] Read more.

Superhydrophobic magnetic nanomaterials (SHMNMs) are emerging as multifunctional platforms for efficient oil–water separation due to their combination of extreme water repellency, strong oil affinity, and external magnetic responsiveness. This review presents a comprehensive analysis of recent advances in the design, synthesis, and environmental application of SHMNMs. The theoretical foundations of superhydrophobicity and the physicochemical behavior of magnetic nanoparticles are first outlined, followed by discussion of their synergistic integration. Key fabrication techniques—such as sol–gel synthesis, electrospinning, dip-coating, laser-assisted processing, and the use of biomass-derived precursors—are critically assessed in terms of their ability to tailor surface morphology, chemical functionality, and long-term durability. The review further explores the mechanisms of oil adsorption, magnetic separation, and material reusability under realistic environmental conditions. Special attention is paid to the scalability, mechanical resilience, and environmental compatibility of SHMNMs in the context of water treatment technologies. Current limitations, including reduced efficiency in harsh media, potential environmental risks, and challenges in material regeneration, are discussed. This work provides a structured overview that could support the rational development of next-generation superhydrophobic materials tailored for sustainable and high-performance separation of oil and organic pollutants from water. Full article

(This article belongs to the Special Issue Recent Advances in Superhydrophobic Materials and Their Application)

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10 pages, 1591 KiB

Open AccessCommunication

Adsorptive Separation of Chlorobenzene and Chlorocyclohexane by Nonporous Adaptive Crystals of Perethylated Pillar[6]arene

by Sha Wu, Yuyue Chi, Qian Dong and Jiong Zhou

Molecules 2025, 30(15), 3312; https://doi.org/10.3390/molecules30153312 - 7 Aug 2025

Viewed by 284

Abstract

The separation of chlorobenzene (CB) and chlorocyclohexane (CCH) using traditional industrial separation technologies (distillation, fractionation, and rectification) is a great challenge due to their close boiling points. Here, we report an innovative method for the separation of the mixture [...] Read more.

The separation of chlorobenzene (CB) and chlorocyclohexane (CCH) using traditional industrial separation technologies (distillation, fractionation, and rectification) is a great challenge due to their close boiling points. Here, we report an innovative method for the separation of the mixture of CB and CCH by nonporous adaptive crystals (NACs) of perethylated pillar[6]arene (EtP6). NACs of EtP6 (EtP6α) can selectively adsorb CCH vapor from the vapor mixture of CB and CCH (v:v = 1:1) with a purity of 99.5%. Furthermore, EtP6α can be recycled for five times without a significant loss of performance. Full article

(This article belongs to the Special Issue Recent Advances in Supramolecular Chemistry)

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26 pages, 1208 KiB

Open AccessReview

Doxorubicin Toxicity and Recent Approaches to Alleviating Its Adverse Effects with Focus on Oxidative Stress

by Lyubomira Radeva and Krassimira Yoncheva

Molecules 2025, 30(15), 3311; https://doi.org/10.3390/molecules30153311 - 7 Aug 2025

Viewed by 555

Abstract

Despite the significant antitumor potential of doxorubicin and its widespread use in the treatment of various oncological diseases, its application is associated with side effects, among which the most common are cardiotoxicity, hepatotoxicity, nephrotoxicity, neurotoxicity, and gonadotoxicity. In contemporary times, innovative strategies to [...] Read more.

Despite the significant antitumor potential of doxorubicin and its widespread use in the treatment of various oncological diseases, its application is associated with side effects, among which the most common are cardiotoxicity, hepatotoxicity, nephrotoxicity, neurotoxicity, and gonadotoxicity. In contemporary times, innovative strategies to overcome the toxicity of doxorubicin and improve the effectiveness of therapies are intensively researched. The aim of this review is to discuss different approaches to alleviate the common toxic effects of doxorubicin, with an emphasis on oxidative stress. In particular, the review analyzes the significance of pharmaceutical nanotechnology for reducing doxorubicin toxicity while maintaining its antitumor effect (e.g., encapsulation of doxorubicin in passively and/or actively targeted nanoparticles to tumor tissue and cells). Other strategies commented in the review are the simultaneous delivery of doxorubicin with antioxidants and the administration of its derivatives with lower toxicity. Full article

(This article belongs to the Special Issue The Anticancer Drugs: A New Perspective)

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15 pages, 3102 KiB

Open AccessArticle

BioGoldNCDB: A Database of Gold Nanoclusters and Related Nanoparticles with Biomedical Activity

by Eszter Erdei, András Mándoki, Andrea Deák, Balázs Balogh, László Molnár and István M. Mándity

Molecules 2025, 30(15), 3310; https://doi.org/10.3390/molecules30153310 - 7 Aug 2025

Viewed by 304

Abstract

Interest in gold nanoclusters (AuNCs) has grown significantly in recent decades. AuNCs, with a core size smaller than 2 nm, represent a unique class of functional nanomaterials. Their distinctive properties enable innovative applications across various interdisciplinary fields. Here, we introduce BioGoldNCDB, a freely [...] Read more.

Interest in gold nanoclusters (AuNCs) has grown significantly in recent decades. AuNCs, with a core size smaller than 2 nm, represent a unique class of functional nanomaterials. Their distinctive properties enable innovative applications across various interdisciplinary fields. Here, we introduce BioGoldNCDB, a freely available, fully annotated, and manually curated database of mainly about AuNCs and related AuNPs. Despite the rapid growth in biomedical applications of gold nanoclusters (AuNCs), the lack of a centralized and structured data resource hinders comparative analysis and rational design. Researchers face challenges in accessing standardized information on AuNCs’ structures, properties, and biological activities, which limits data-driven development in this emerging field. The database provides essential information, including CAS numbers and PubMed IDs, as well as specific details such as biomedical applications, cell lines used in research, particle size, and excitation/emission wavelengths. It currently covers 247 articles from 104 journals. Designed with a user-friendly and intuitive web interface, BioGoldNCDB is accessible on multiple devices, including phones, tablets, and PCs. Users can refine searches with multiple filters, and a help page is available for guidance. While offering quick insights for newcomers, BioGoldNCDB also serves as a valuable resource for researchers across various fields. Full article

(This article belongs to the Special Issue Synthesis and Spectroscopic Characterization of Organometallic Compounds)

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14 pages, 1194 KiB

Open AccessArticle

A Benzimidazole-Based Fluorescent Probe for the Selective Recognition of Cobalt (II) Ions

by Jing Zhu, Hua-Fen Wang, Jia-Xiang Zhang, Man Wang, Yu-Wei Zhuang, Zhi-Guang Suo, Ye-Wu He, Yan-Chang Zhang, Min Wei and Hai-Yan Zhang

Molecules 2025, 30(15), 3309; https://doi.org/10.3390/molecules30153309 - 7 Aug 2025

Viewed by 311

Abstract

Cobalt, a rare element in the Earth’s crust, is widely used in industries due to its hardness and antioxidant properties. It also plays a vital role in physiological functions, being a key component of vitamin B₁₂. However, excessive cobalt intake can [...] Read more.

Cobalt, a rare element in the Earth’s crust, is widely used in industries due to its hardness and antioxidant properties. It also plays a vital role in physiological functions, being a key component of vitamin B₁₂. However, excessive cobalt intake can cause health issues. Detecting cobalt ions, especially Co²⁺, in food is crucial due to potential contamination from various sources. Fluorescent probes offer high sensitivity, selectivity, a rapid response, and ease of use, making them ideal for the accurate and efficient recognition of Co²⁺ in complex samples. In this context, a highly selective fluorescent probe, 2,2′-((3-(1H-benzo[d]imidazol-2-yl)-1,2-phenylene) bis(oxy)) bis(N-(quinolin-8-yl) acetamide) (DQBM-B), was synthesized using chloroacetyl chloride, 8-aminoquinoline, 2,3-dihydroxybenzaldehyde, and benzidine as raw materials for the recognition of Co²⁺. Probe DQBM-B can exhibit fluorescence alone in DMF. However, as the concentration of Co²⁺ increased, Photoinduced Electron Transfer (PET) occurred, which quenched the original fluorescence of the probe. Probe DQBM-B shows better selectivity for Co²⁺ than other ions with high sensitivity (detection limit: 3.56 μmol L⁻¹), and the reaction reaches equilibrium within 30 min. Full article

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20 pages, 3766 KiB

Open AccessReview

Challenges, Unmet Needs, and Future Directions for Nanocrystals in Dermal Drug Delivery

by Muzn Alkhaldi and Cornelia M. Keck

Molecules 2025, 30(15), 3308; https://doi.org/10.3390/molecules30153308 - 7 Aug 2025

Viewed by 509

Abstract

Nanocrystals, defined as crystalline particles with dimensions in the nanometer range (<1000 nm), exhibit unique properties that enhance the efficacy of poorly soluble active compounds. This review explores the fundamental aspects of nanocrystals, including their characteristics and various preparation methods, while addressing critical [...] Read more.

Nanocrystals, defined as crystalline particles with dimensions in the nanometer range (<1000 nm), exhibit unique properties that enhance the efficacy of poorly soluble active compounds. This review explores the fundamental aspects of nanocrystals, including their characteristics and various preparation methods, while addressing critical factors that influence their stability and incorporation into final products. A key focus of the review is the advantages offered by nanocrystals in dermal applications. It also highlights their ability to enhance passive diffusion into the skin and facilitate penetration via particle-assisted dermal penetration. Additionally, the review discusses their capacity to penetrate into hair follicles, enabling targeted drug delivery, and their synergistic potential when combined with microneedles, which further enhance the dermal absorption of active compounds. The review also addresses several commercial products that successfully employ nanocrystal technology, showcasing its practical applications. Summary: Nanocrystals with their special properties are an emerging trend for dermal applications, particularly the development of plantCrystals—natural nanocrystals sourced from plant materials—which represent a promising path for future research and formulation strategies. These advancements could lead to more sustainable and effective dermal products. Full article

(This article belongs to the Section Natural Products Chemistry)

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24 pages, 3924 KiB

Open AccessArticle

Effects of Zinc-Layered Filler Incorporation Routes on the Antimicrobial, Mechanical, and Physical Properties of Calcium Caseinate Biopolymeric Films

by Maria E. Becerra, Reynell Pérez-Blanco, Jr., Oscar Giraldo, Lucia Medina-Pimentel and Christhy V. Ruiz

Molecules 2025, 30(15), 3307; https://doi.org/10.3390/molecules30153307 - 7 Aug 2025

Viewed by 407

Abstract

As the demand for sustainable materials continues to grow, calcium caseinate (Cas) biopolymer films have emerged as promising alternatives to fossil-based plastics. However, their mechanical fragility and high-water sensitivity limit their application in packaging. In this study, we reinforced Cas films with zinc [...] Read more.

As the demand for sustainable materials continues to grow, calcium caseinate (Cas) biopolymer films have emerged as promising alternatives to fossil-based plastics. However, their mechanical fragility and high-water sensitivity limit their application in packaging. In this study, we reinforced Cas films with zinc hydroxide nitrate (ZHN) using two incorporation methods: wet (ZHN-w) and dry (ZHN-d). We evaluated how each method affected the dispersion of the filler and, consequently, the functional properties of the films. To our knowledge, this is the first report of ZHN being used in biopolymeric films. Structural and morphological analyses showed better dispersion of ZHN in the wet-incorporated films. These samples exhibited a substantial increase in tensile strength, from 0.75 ± 0.00 MPa to 9.62 ± 2.45 MPa, along with a marked improvement in Young’s modulus. The films also became less soluble in water, more resistant to swelling, and structurally more cohesive. In antimicrobial tests, the ZHN-w films showed stronger inhibition against E. coli and S. aureus. Overall, this approach offers a simple and effective way to enhance protein-based films using food-safe materials, making them suitable for active and bio-based packaging applications. Full article

(This article belongs to the Section Materials Chemistry)

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11 pages, 1309 KiB

Open AccessArticle

The Effect of Bee Venom and Melittin on Glioblastoma Cells in Zebrafish Model

by Agata Małek, Maciej Strzemski and Jacek Kurzepa

Molecules 2025, 30(15), 3306; https://doi.org/10.3390/molecules30153306 - 7 Aug 2025

Viewed by 515

Abstract

Previous in vitro studies have shown the therapeutic potential of bee venom (BV) against different types of glioblastoma cells. Our aim was to evaluate the cytotoxic effect of BV on glioma in the zebrafish model. First, safe concentrations of BV and melittin were [...] Read more.

Previous in vitro studies have shown the therapeutic potential of bee venom (BV) against different types of glioblastoma cells. Our aim was to evaluate the cytotoxic effect of BV on glioma in the zebrafish model. First, safe concentrations of BV and melittin were determined by determining the LD₅₀ for each substance. Two human glioma cell lines, 8MGBA and LN-229, were used in this study. After staining the tested cells for visualization under UV light, they were then implanted into 2-day-old zebrafish embryos. Zebrafish were incubated for 3 days with crude BV and melittin at concentrations of 1.5 and 2.5 µg/mL vs. control group. Tumor growth was assessed with a stereo microscope. We found differential proliferative responses of two human glioma lines in a zebrafish model. The 8MGBA cell line, but not LN-229, showed proliferative potential when implanted into 2-day-old zebrafish embryos. This study showed a dose-dependent cytotoxic effect only for BV against 8MGBA cells. The observed cytotoxic effect is not dependent on the presence of the peptide melittin—the main BV component with the greatest cytotoxic potential. Simultaneously, a slight increase in LN-229 cell proliferation was observed after 3 days of incubation with melittin at a concentration of 2.5 µg/mL. This indicates that any consideration of bee venom as a therapeutic substance must take into account the type of glioblastoma. Full article

(This article belongs to the Special Issue Analytical Insights into Bioactive Compounds in Pharmaceutical Formulations)

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16 pages, 3224 KiB

Open AccessArticle

GelMA Core–Shell Microgel Preparation Based on a Droplet Microfluidic Device for Three-Dimensional Tumor Ball Culture and Its Drug Testing

by Xindong Yang, Yi Xu, Dongchen Zhu and Xianqiang Mi

Molecules 2025, 30(15), 3305; https://doi.org/10.3390/molecules30153305 - 7 Aug 2025

Viewed by 665

Abstract

Gelatin methacrylate (GelMA) microgels serve as promising bioscaffolds for tissue engineering and drug screening. However, conventional solid GelMA microgels often exhibit limited mass transfer efficiency and provide insufficient protection for embedded cells. In this study, we developed a droplet-based microfluidic platform to fabricate [...] Read more.

Gelatin methacrylate (GelMA) microgels serve as promising bioscaffolds for tissue engineering and drug screening. However, conventional solid GelMA microgels often exhibit limited mass transfer efficiency and provide insufficient protection for embedded cells. In this study, we developed a droplet-based microfluidic platform to fabricate core–shell structured GelMA microgels. This system enabled precise control over microgel size and core-to-shell ratio by modulating flow rates. Encapsulation of A549 cells within these core–shell microgels preserved cellular viability and facilitated the formation of three-dimensional tumor spheroids. These outcomes confirmed both the protective function of the core–shell architecture during encapsulation and the overall biocompatibility of the microgels. The developed GelMA core–shell microgel system presents considerable applicability in research domains such as organoid modeling and high-throughput pharmacological screening. Full article

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18 pages, 1500 KiB

Open AccessArticle

Structure-Activity Relationships in Alkoxylated Resorcinarenes: Synthesis, Structural Features, and Bacterial Biofilm-Modulating Properties

by Mariusz Urbaniak, Łukasz Lechowicz, Barbara Gawdzik, Maciej Hodorowicz and Ewelina Wielgus

Molecules 2025, 30(15), 3304; https://doi.org/10.3390/molecules30153304 - 7 Aug 2025

Viewed by 329

Abstract

In this study, a series of novel alkoxylated resorcinarenes were synthesized using secondary and tertiary alcohols under mild catalytic conditions involving iminodiacetic acid. Structural characterization, including single-crystal X-ray diffraction, confirmed the successful incorporation of branched alkyl chains and highlighted the influence of substitution [...] Read more.

In this study, a series of novel alkoxylated resorcinarenes were synthesized using secondary and tertiary alcohols under mild catalytic conditions involving iminodiacetic acid. Structural characterization, including single-crystal X-ray diffraction, confirmed the successful incorporation of branched alkyl chains and highlighted the influence of substitution patterns on molecular packing. Notably, detailed mass spectrometric analysis revealed that, under specific conditions, the reaction pathway may shift toward the formation of defined oligomeric species with supramolecular characteristics—an observation that adds a new dimension to the synthetic potential of this system. To complement the chemical analysis, selected derivatives were evaluated for biological activity, focusing on bacterial growth and biofilm formation. Using four clinically relevant strains (Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, and Bacillus subtilis), we assessed both planktonic proliferation (OD₆₀₀) and biofilm biomass (crystal violet assay). Compound 2c (2-pentanol derivative) consistently promoted biofilm formation, particularly in S. aureus and B. subtilis, while having limited cytotoxic effects. In contrast, compound 2e and the DMSO control exhibited minimal impact on biofilm development. The results suggest that specific structural features of the alkoxy chains may modulate microbial responses, potentially via membrane stress or quorum sensing interference. This work highlights the dual relevance of alkoxylated resorcinarenes as both supramolecular building blocks and modulators of microbial behavior. Full article

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22 pages, 1479 KiB

Open AccessArticle

Synthesis and Biological Evaluation of β-Phenylalanine Derivatives Containing Sulphonamide and Azole Moieties as Antiproliferative Candidates in Lung Cancer Models

by Vytautas Mickevičius, Kazimieras Anusevičius, Birutė Sapijanskaitė-Banevič, Ilona Jonuškienė, Linas Kapočius, Birutė Grybaitė, Ramunė Grigalevičiūtė and Povilas Kavaliauskas

Molecules 2025, 30(15), 3303; https://doi.org/10.3390/molecules30153303 - 7 Aug 2025

Viewed by 581

Abstract

In this study, a series of novel β-phenylalanine derivatives were synthesised and evaluated for their anticancer activity. The 3-(4-methylbenzene-1-sulfonamido)-3-phenylpropanoic acid (2) was prepared using β-phenylalanine as a core scaffold. The β-amino acid derivative 2 was converted to the [...] Read more.

In this study, a series of novel β-phenylalanine derivatives were synthesised and evaluated for their anticancer activity. The 3-(4-methylbenzene-1-sulfonamido)-3-phenylpropanoic acid (2) was prepared using β-phenylalanine as a core scaffold. The β-amino acid derivative 2 was converted to the corresponding hydrazide 4, which enabled the development of structurally diverse heterocyclic derivatives including pyrrole 5, pyrazole 6, thiadiazole 8, oxadiazole 11, triazoles 9 and 12 with Schiff base analogues 13 and series1,2,4-triazolo [3,4-b][1,3,4]thiadiazines 14. These modifications were designed to enhance chemical stability, solubility, and biological activity. All compounds were initially screened for cytotoxicity against the A549 human lung adenocarcinoma cell line, identifying N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide (5) and (E)-N-{2-[4-[(4-chlorobenzylidene)amino]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-1-phenylethyl}-4-methylbenzenesulfonamide (13b) as the most active. The two lead candidates were further evaluated in H69 and H69AR small cell lung cancer lines to assess activity in drug-sensitive and multidrug-resistant models. Schiff base 13b containing a 4-chlorophenyl moiety, retained potent antiproliferative activity in both H69 and H69AR cells, comparable to cisplatin, while compound 5 lost efficacy in the resistant phenotype. These findings suggest Schiff base derivative 13b may overcome drug resistance mechanisms, a limitation commonly encountered with standard chemotherapeutics such as doxorubicin. These results demonstrate the potential role of β-phenylalanine derivatives, azole-containing sulphonamides, as promising scaffolds for the development of novel anticancer agents, particularly in the context of lung cancer and drug-resistant tumours. Full article

(This article belongs to the Special Issue Chemistry and Health: Nitrogen Heterocycle Chemistry and Medicinal Chemistry, 2nd Edition)

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14 pages, 2162 KiB

Open AccessArticle

Photodegradation of Polyethylene Terephthalate and Bis(2-hydroxyethyl) Terephthalate Using Excimer Lamps and Hydrogen Peroxide: A Strategy for PET–Derived Waste Treatment

by Ángel Navarro-García, María Gómez, María D. Murcia, Elisa Gómez, Asunción M. Hidalgo, Luis A. Dorado and Josefa Bastida

Molecules 2025, 30(15), 3302; https://doi.org/10.3390/molecules30153302 - 7 Aug 2025

Viewed by 395

Abstract

Polyethylene terephthalate (PET) is a widely used polymer whose accumulation in the environment poses a significant pollution challenge. This study explores the degradation of bis(2-hydroxyethyl) terephthalate (BHET) and terephthalic acid (TPA)—two monomers commonly produced during PET hydrolysis and widely used as intermediates in [...] Read more.

Polyethylene terephthalate (PET) is a widely used polymer whose accumulation in the environment poses a significant pollution challenge. This study explores the degradation of bis(2-hydroxyethyl) terephthalate (BHET) and terephthalic acid (TPA)—two monomers commonly produced during PET hydrolysis and widely used as intermediates in PET recycling—through Advanced Oxidation Processes (AOPs) employing KrCl (222 nm) and XeBr (283 nm) excimer lamps in the presence of hydrogen peroxide (H₂O₂). The effects of the H₂O₂/monomer mass ratio, initial monomer concentrations, and reaction volume on degradation efficiency were systematically evaluated. The results demonstrate that excimer lamp technology, particularly KrCl, holds promising potential for the effective degradation of both BHET and TPA, and thus represents a viable strategy for PET waste treatment. Full article

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12 pages, 383 KiB

Open AccessArticle

Synthesis and Biological Activity of Novel Polyazaheterocyclic Derivatives of Quinine

by Gulim K. Mukusheva, Nurizat N. Toigambekova, Roza B. Seidakhmetova, Roza I. Jalmakhanbetova, Mukhlissa N. Babakhanova, Oralgazy A. Nurkenov, Ekaterina A. Akishina, Evgenij A. Dikusar, Irina A. Kolesnik, Hongwei Zhou and Vladimir I. Potkin

Molecules 2025, 30(15), 3301; https://doi.org/10.3390/molecules30153301 - 7 Aug 2025

Viewed by 387

Abstract

A synthetic methodology of the CuAAC “click” approach was exploited for the construction of 1,2-azolyltriazole quinine derivatives by the reaction of O-propargylquinine with azidomethyl-1,2-azoles in methanol. Quinine–piperidine and quinine–anabasine conjugates were obtained using a chloroacetate linker by reacting quinine chloroacetate with piperidine or [...] Read more.

A synthetic methodology of the CuAAC “click” approach was exploited for the construction of 1,2-azolyltriazole quinine derivatives by the reaction of O-propargylquinine with azidomethyl-1,2-azoles in methanol. Quinine–piperidine and quinine–anabasine conjugates were obtained using a chloroacetate linker by reacting quinine chloroacetate with piperidine or anabasine in a diethyl ether medium. Cinchophene ester was obtained by the acylation of quinine with cinchophen acid chloride in methylene chloride. The antibacterial, fungicidal, analgesic and cytotoxic properties of the obtained compounds were examined. Full article

(This article belongs to the Topic Bioactive Compounds and Therapeutics: Molecular Aspects, Metabolic Profiles, and Omics Studies 2nd Edition)

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25 pages, 4387 KiB

Open AccessArticle

Effect of Thuja occidentalis L. Essential Oil Combined with Diatomite Against Selected Pests

by Janina Gospodarek, Elżbieta Boligłowa, Krzysztof Gondek, Krzysztof Smoroń and Iwona B. Paśmionka

Molecules 2025, 30(15), 3300; https://doi.org/10.3390/molecules30153300 - 6 Aug 2025

Viewed by 391

Abstract

Combining products of natural origin with different mechanisms of action on insect herbivores may provide an alternative among methods of plant protection against pests that are less risky for the environment. The aim of the study was to evaluate the effectiveness of mixtures [...] Read more.

Combining products of natural origin with different mechanisms of action on insect herbivores may provide an alternative among methods of plant protection against pests that are less risky for the environment. The aim of the study was to evaluate the effectiveness of mixtures of Thuja occidentalis L. essential oil and diatomite (EO + DE) compared to each substance separately in reducing economically important pests such as black bean aphid (BBA) Aphis fabae Scop., Colorado potato beetle (CPB) Leptinotarsa decemlineata Say., and pea leaf weevil (PLW) Sitona lineatus L. The effects on mortality (all pests) and foraging intensity (CPB and PLW) were tested. The improvement in effectiveness using a mixture of EO + DE versus single components against BBA was dose- and the developmental stage-dependent. The effect of enhancing CPB foraging inhibition through DE addition was obtained at a concentration of 0.2% EO (both females and males of CPB) and 0.5% EO (males) in no-choice experiments. In choice experiments, mixtures EO + DE with both 0.2% and 0.5% EO concentrations resulted in a significant reduction in CPB foraging. A significant strengthening effect of EO 0.5% through the addition of DE at a dose of 10% against PLW males was observed in the no-choice experiment, while, when the beetles had a choice, the synergistic effect of a mixture of EO 0.5% and DE 10% was also apparent in females. In conclusion, the use of DE mixtures with EO from T. occidentalis appears to be a promising strategy. The results support the idea of not using doses of EO higher than 0.5%. Full article

(This article belongs to the Special Issue Natural Products as New Antiviral/Antiparasitic/Antibacterial/Antimicrobial Treatment Options)

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26 pages, 2328 KiB

Open AccessReview

The g-Strained EPR Line Shape of Transition-Ion Complexes and Metalloproteins: Four Decades of Misunderstanding and Its Consequences

by Wilfred R. Hagen

Molecules 2025, 30(15), 3299; https://doi.org/10.3390/molecules30153299 - 6 Aug 2025

Viewed by 452

Abstract

Analysis of the EPR of dilute transition-ion complexes and metalloproteins in random phases, such as frozen solutions, powders, glasses, and gels, requires a model for the spectral ‘powder’ shape. Such a model comprises a description of the line shape and the linewidth of [...] Read more.

Analysis of the EPR of dilute transition-ion complexes and metalloproteins in random phases, such as frozen solutions, powders, glasses, and gels, requires a model for the spectral ‘powder’ shape. Such a model comprises a description of the line shape and the linewidth of individual molecules as well as a notion of their physical origin. Spectral features sharpen up with decreasing temperature until the limit of constant linewidth of inhomogeneous broadening. At and below this temperature limit, each molecule has a linewidth that slightly differs from those of its congeners, and which is not related in a simple way to lifetime broadening. Choice of the model not only affects precise assignment of g-values, but also concentration determination (‘spin counting’), and therefore, calculation of stoichiometries in multi-center complexes. Forty years ago, the theoretically and experimentally well-founded statistical theory of g-strain was developed as a prime model for EPR powder patterns. In the intervening years until today, this model was universally ignored in favor of models that are incompatible with physical reality, resulting in many mistakes in EPR spectral interpretation. The purpose of this review is to outline the differences between the models, to reveal where analyses went astray, and thus to turn a very long standstill in EPR powder shape understanding into a new start towards proper methodology. Full article

(This article belongs to the Special Issue Applications of EPR Spectroscopy in Various Fields of Scientific Research)

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13 pages, 5879 KiB

Open AccessArticle

Parallel Palladium-Catalyzed Synthesis of Carboxylic Acids from Aryl Iodides, Bromides, and Vinyl Triflates Using Acetic Anhydride and Formate Anion as an External Condensed Source of Carbon Monoxide

by Antonia Iazzetti, Giancarlo Fabrizi, Yuri Gazzilli, Antonella Goggiamani, Federico Marrone, Chen Shen and Roberta Zoppoli

Molecules 2025, 30(15), 3298; https://doi.org/10.3390/molecules30153298 - 6 Aug 2025

Viewed by 246

Abstract

Aryl iodides, bromides and vinyl-triflates are usually converted in high to excellent yields into the corresponding carboxylic acids through a parallel palladium-catalyzed hydroxycarbonylation using lithium formate and acetic anhydride as external condensed source of carbon monoxide. Full article

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

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47 pages, 7003 KiB

Open AccessReview

Phthalocyanines Conjugated with Small Biologically Active Compounds for the Advanced Photodynamic Therapy: A Review

by Kyrylo Chornovolenko and Tomasz Koczorowski

Molecules 2025, 30(15), 3297; https://doi.org/10.3390/molecules30153297 - 6 Aug 2025

Viewed by 526

Abstract

Phthalocyanines (Pcs) are well-established photosensitizers in photodynamic therapy, valued for their strong light absorption, high singlet oxygen generation, and photostability. Recent advances have focused on covalently conjugating Pcs, particularly zinc phthalocyanines (ZnPcs), with a wide range of small bioactive molecules to improve selectivity, [...] Read more.

Phthalocyanines (Pcs) are well-established photosensitizers in photodynamic therapy, valued for their strong light absorption, high singlet oxygen generation, and photostability. Recent advances have focused on covalently conjugating Pcs, particularly zinc phthalocyanines (ZnPcs), with a wide range of small bioactive molecules to improve selectivity, efficacy, and multifunctionality. These conjugates combine light-activated reactive oxygen species (ROS) production with targeted delivery and controlled release, offering enhanced treatment precision and reduced off-target toxicity. Chemotherapeutic agent conjugates, including those with erlotinib, doxorubicin, tamoxifen, and camptothecin, demonstrate receptor-mediated uptake, pH-responsive release, and synergistic anticancer effects, even overcoming multidrug resistance. Beyond oncology, ZnPc conjugates with antibiotics, anti-inflammatory drugs, antiparasitics, and antidepressants extend photodynamic therapy’s scope to antimicrobial and site-specific therapies. Targeting moieties such as folic acid, biotin, arginylglycylaspartic acid (RGD) and epidermal growth factor (EGF) peptides, carbohydrates, and amino acids have been employed to exploit overexpressed receptors in tumors, enhancing cellular uptake and tumor accumulation. Fluorescent dye and porphyrinoid conjugates further enrich these systems by enabling imaging-guided therapy, efficient energy transfer, and dual-mode activation through pH or enzyme-sensitive linkers. Despite these promising strategies, key challenges remain, including aggregation-induced quenching, poor aqueous solubility, synthetic complexity, and interference with ROS generation. In this review, the examples of Pc-based conjugates were described with particular interest on the synthetic procedures and optical properties of targeted compounds. Full article

(This article belongs to the Section Organic Chemistry)

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16 pages, 3228 KiB

Open AccessArticle

Wettability of Two-Dimensional Carbon Allotropes from Molecular Simulations

by Margaret E. Thornton, Serban G. Zamfir and Dusan Bratko

Molecules 2025, 30(15), 3296; https://doi.org/10.3390/molecules30153296 - 6 Aug 2025

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Abstract

Force-field Monte Carlo and Molecular Dynamics simulations are used to compare wetting behaviors of model carbon sheets mimicking neat graphene, its saturated derivative, graphane, and related planar allotropes penta-graphene, γ-graphyne, and ψ-graphene in contact with aqueous droplets or an aqueous film [...] Read more.

Force-field Monte Carlo and Molecular Dynamics simulations are used to compare wetting behaviors of model carbon sheets mimicking neat graphene, its saturated derivative, graphane, and related planar allotropes penta-graphene, γ-graphyne, and ψ-graphene in contact with aqueous droplets or an aqueous film confined between parallel carbon sheets. Atomistic and area-integrated surface/water potentials are found to be essentially equivalent in capturing moderate differences between the wetting free energies of tested substrates. Despite notable differences in mechanical and electric properties of distinct allotropes, the predicted allotrope/water contact angles span a narrow window of weakly hydrophilic values. Contact angles in the range of 80 ± 10° indicate modest hydration repulsion incapable of competing with van der Waals attraction between carbon particles. Poor dispersibility in neat water is hence a common feature of studied materials. Full article

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23 pages, 2046 KiB

Open AccessArticle

A Rational Synthesis of a Branched Decaarabinofuranoside Related to the Fragments of Mycobacterial Polysaccharides

by Polina I. Abronina, Nelly N. Malysheva, Maxim Y. Karpenko, Dmitry S. Novikov, Alexander I. Zinin, N. G. Kolotyrkina and Leonid O. Kononov

Molecules 2025, 30(15), 3295; https://doi.org/10.3390/molecules30153295 - 6 Aug 2025

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Abstract

A rational synthesis of the branched decaarabinofuranoside with 4-(2-azidoethoxy)phenyl aglycone (a Janus aglycone) related to the non-reducing terminal fragments of the arabinogalactan and lipoarabinomannan from Mycobacterium tuberculosis was proposed. Since the most challenging step is the formation of a 1,2-cis glycosidic linkage, [...] Read more.

A rational synthesis of the branched decaarabinofuranoside with 4-(2-azidoethoxy)phenyl aglycone (a Janus aglycone) related to the non-reducing terminal fragments of the arabinogalactan and lipoarabinomannan from Mycobacterium tuberculosis was proposed. Since the most challenging step is the formation of a 1,2-cis glycosidic linkage, we have significantly simplified access to a library of oligoarabinofuranosides derived from Mycobacterium tuberculosis polysaccharides using a silylated Ara-β-(1→2)-Ara disaccharide as the glycosyl donor. The application of a Janus aglycone also allowed us to reduce the number of reaction steps in glycoside synthesis. The obtained arabinans can be useful to further prepare conjugates as antigens for creating tuberculosis screening assays. Full article

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

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24 pages, 2024 KiB

Open AccessArticle

New Insights into the Synergistic Bioactivities of Zingiber officinale (Rosc.) and Humulus lupulus (L.) Essential Oils: Targeting Tyrosinase Inhibition and Antioxidant Mechanisms

by Hubert Sytykiewicz, Sylwia Goławska and Iwona Łukasik

Molecules 2025, 30(15), 3294; https://doi.org/10.3390/molecules30153294 - 6 Aug 2025

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Abstract

Essential oils (EOs) constitute intricate mixtures of volatile phytochemicals that have garnered significant attention due to their multifaceted biological effects. Notably, the presence of bioactive constituents capable of inhibiting tyrosinase enzyme activity and scavenging reactive oxygen species (ROS) underpins their potential utility in [...] Read more.

Essential oils (EOs) constitute intricate mixtures of volatile phytochemicals that have garnered significant attention due to their multifaceted biological effects. Notably, the presence of bioactive constituents capable of inhibiting tyrosinase enzyme activity and scavenging reactive oxygen species (ROS) underpins their potential utility in skin-related applications, particularly through the modulation of melanin biosynthesis and protection of skin-relevant cells from oxidative damage—a primary contributor to hyperpigmentation disorders. Zingiber officinale Rosc. (ginger) and Humulus lupulus L. (hop) are medicinal plants widely recognized for their diverse pharmacological properties. To the best of our knowledge, this study provides the first report on the synergistic interactions between essential oils derived from these species (referred to as EOZ and EOH) offering novel insights into their combined bioactivity. The purpose of this study was to evaluate essential oils extracted from ginger rhizomes and hop strobiles with respect to the following: (1) chemical composition, determined by gas chromatography–mass spectrometry (GC-MS); (2) tyrosinase inhibitory activity; (3) capacity to inhibit linoleic acid peroxidation; (4) ABTS^•+ radical scavenging potential. Furthermore, the study utilizes both the combination index (CI) and dose reduction index (DRI) as quantitative parameters to evaluate the nature of interactions and the dose-sparing efficacy of essential oil (EO) combinations. GC–MS analysis identified EOZ as a zingiberene-rich chemotype, containing abundant sesquiterpene hydrocarbons such as α-zingiberene, β-bisabolene, and α-curcumene, while EOH exhibited a caryophyllene diol/cubenol-type profile, dominated by oxygenated sesquiterpenes including β-caryophyllene-9,10-diol and 1-epi-cubenol. In vitro tests demonstrated that both oils, individually and in combination, showed notable anti-tyrosinase, radical scavenging, and lipid peroxidation inhibitory effects. These results support their multifunctional bioactivity profiles with possible relevance to skin care formulations, warranting further investigation. Full article

(This article belongs to the Special Issue Essential Oils—Third Edition)

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21 pages, 1442 KiB

Open AccessArticle

Enzyme Modifications of Red Deer Fat to Adjust Physicochemical Properties for Advanced Applications

by Tereza Novotná, Jana Pavlačková, Robert Gál, Ladislav Šiška, Miroslav Fišera and Pavel Mokrejš

Molecules 2025, 30(15), 3293; https://doi.org/10.3390/molecules30153293 - 6 Aug 2025

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Abstract

Red deer fat makes up approximately 7–10% of the animal’s weight and is not currently used. Regarding sustainability in the food industry, it is desirable to look for opportunities for its processing and use, not only in the food industry. The aim of [...] Read more.

Red deer fat makes up approximately 7–10% of the animal’s weight and is not currently used. Regarding sustainability in the food industry, it is desirable to look for opportunities for its processing and use, not only in the food industry. The aim of this study is the enzymatic modification of red deer fat, leading to modification of its physicochemical properties, and the study of changes in phase transitions of modified fat, its structure, color, and texture. Hydrolysis was performed using sn-1,3-specific lipase at different water concentrations (10–30%) and reaction times (2–6 h). The results showed that there was a significant decrease in melting and crystallization temperatures with an increasing degree of hydrolysis, which was confirmed by differential scanning calorimetry. FTIR spectra revealed a decrease in the intensity of the ester bonds, indicating cleavage of triacylglycerols. Texture analysis of the modified fats confirmed a decrease in hardness of up to 50% and an increase in spreadability. The color parameter values remained within an acceptable range. The results show that enzymatic modification is an effective tool for targeted modification of red deer fat properties, and this expands the possibilities of its application in cosmetic matrices and food applications as functional lipids. Full article

(This article belongs to the Special Issue Research Progress on Functional Lipids and Their Applications in Health Food Systems)

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12 pages, 1742 KiB

Open AccessArticle

Therapeutic Effects of PSL-Loaded PLGA-PEG-PLGA NPs in Allergic Contact Dermatitis Model Mice

by Ryo Fujisawa, Ryuse Sakurai, Takeshi Oshizaka, Kenji Mori, Akiyoshi Saitoh, Issei Takeuchi and Kenji Sugibayashi

Molecules 2025, 30(15), 3292; https://doi.org/10.3390/molecules30153292 - 6 Aug 2025

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Abstract

This study focused on the poly(DL-lactide-co-glycolide)-block-poly(ethylene glycol)-block-poly(DL-lactide-co-glycolide) (PLGA-PEG-PLGA) triblock copolymer, which was recently reported as a novel material for polymeric nanoparticles to replace poly(DL-lactide-co-glycolide) (PLGA) as a drug carrier for prednisolone (PSL), and [...] Read more.

This study focused on the poly(DL-lactide-co-glycolide)-block-poly(ethylene glycol)-block-poly(DL-lactide-co-glycolide) (PLGA-PEG-PLGA) triblock copolymer, which was recently reported as a novel material for polymeric nanoparticles to replace poly(DL-lactide-co-glycolide) (PLGA) as a drug carrier for prednisolone (PSL), and aimed to evaluate the efficacy of PSL-loaded PLGA-PEG-PLGA nanoparticles (NPs) against allergic contact dermatitis (ACD). PSL-loaded PLGA-PEG-PLGA NPs were prepared using the nanoprecipitation method, and their particle size distribution and mean particle size were measured using dynamic light scattering. 1-Fluoro-2,4-dinitrobenzene (DNFB) was used to create a mouse model of contact hypersensitivity (CHS). PSL-loaded PLGA-PEG-PLGA NPs were administered before sensitization with DNFB, and the therapeutic effect was evaluated by quantifying intracutaneous TNF-α and IL-4 levels suing ELISA. When PSL-loaded PLGA-PEG-PLGA NPs were administered before sensitization, TNF-α expression and IL-4 statements were significantly lower in the PSL-loaded PLGA-PEG-PLGA NP group than in the non-treated group. No significant difference was observed between the PSL-loaded PLGA-PEG-PLGA NP and PSL-loaded ointment groups, even though the steroid dose was 40 times lower than in the PSL-containing ointment. These results suggest that PSL-loaded PLGA-PEG-PLGA NPs may have a better effect in the treatment of ACD than PSL-loaded PLGA NPs. Full article

(This article belongs to the Special Issue Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences)

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16 pages, 1651 KiB

Open AccessArticle

Standardization of Germinated Oat Extracts and Their Neuroprotective Effects Against Aβ_1-42 Induced Cytotoxicity in SH-SY5Y Cells

by Yu-Young Lee, In-Su Na, Jeong-Eun Kim, Jae-Gwang Song, Chae-Eun Han, Hyung-Wook Kim and Soon-Mi Shim

Molecules 2025, 30(15), 3291; https://doi.org/10.3390/molecules30153291 - 6 Aug 2025

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Abstract

The present study aimed to standardize germinated oat extracts (GOEs) by profiling avenanthramides (AVNs) and phenolic acids and evaluate their neuroprotective effects against Aβ_1-42-induced cytotoxicity in human neuroblastoma (SH-SY5Y) cells. GOEs were standardized to contain 1652.56 ± 3.37 µg/g dry weight [...] Read more.

The present study aimed to standardize germinated oat extracts (GOEs) by profiling avenanthramides (AVNs) and phenolic acids and evaluate their neuroprotective effects against Aβ_1-42-induced cytotoxicity in human neuroblastoma (SH-SY5Y) cells. GOEs were standardized to contain 1652.56 ± 3.37 µg/g dry weight (dw) of total AVNs, including 468.52 ± 17.69 µg/g AVN A, 390.33 ± 10.26 µg/g AVN B, and 641.22 ± 13.89 µg/g AVN C, along with 490.03 ± 7.83 µg/g dw of ferulic acid, using a validated analytical method. Treatment with AVN C and GOEs significantly inhibited Aβ_1-42-induced cytotoxicity (p < 0.05). Furthermore, both AVNs and GOEs markedly reduced Aβ_1-42-induced reactive oxygen species (ROS) generation in SH-SY5Y cells, showing significant scavenging activity at concentrations of 25 μg/mL (AVNs) and 50 μg/mL (GOEs) (p < 0.05). RT-PCR analysis revealed that AVNs and GOEs effectively downregulated the expression of inflammation- and apoptosis-related genes triggered by Aβ_1-42 exposure. These findings suggest that GOEs rich in AVNs may serve as a potential functional ingredient for enhancing memory function through the inhibition of neuroinflammation and oxidative stress. Full article

(This article belongs to the Special Issue Bioactive Compounds in Foods and Their By-Products)

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15 pages, 12180 KiB

Open AccessArticle

CaAl-LDH-Derived High-Temperature CO₂ Capture Materials with Stable Cyclic Performance

by Xinghan An, Liang Huang and Li Yang

Molecules 2025, 30(15), 3290; https://doi.org/10.3390/molecules30153290 - 6 Aug 2025

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Abstract

The urgent need to mitigate rising global CO₂ emissions demands the development of efficient carbon capture technologies. This study addresses the persistent challenge of sintering-induced performance degradation in CaO-based sorbents during high-temperature CO₂ capture. A novel solvent/nonsolvent synthetic strategy to fabricate [...] Read more.

The urgent need to mitigate rising global CO₂ emissions demands the development of efficient carbon capture technologies. This study addresses the persistent challenge of sintering-induced performance degradation in CaO-based sorbents during high-temperature CO₂ capture. A novel solvent/nonsolvent synthetic strategy to fabricate CaO/CaAl-layered double oxide (LDO) composites was developed, where CaAl-LDO serves as a nanostructural stabilizer. The CaAl-LDO precursor enables atomic-level dispersion of components, which upon calcination forms a Ca₁₂Al₁₄O₃₃ “rigid scaffold” that spatially confines CaO nanoparticles and effectively mitigates sintering. Thermogravimetric analysis results demonstrate exceptional cyclic stability; the composite achieves an initial CO₂ uptake of 14.5 mmol/g (81.5% of theoretical capacity) and retains 87% of its capacity after 30 cycles. This performance significantly outperforms pure CaO and CaO/MgAl-LDO composites. Physicochemical characterization confirms that structural confinement preserves mesoporous channels, ensuring efficient CO₂ diffusion. This work establishes a scalable, instrumentally simple route to high-performance sorbents, offering an efficient solution for carbon capture in energy-intensive industries such as power generation and steel manufacturing. Full article

(This article belongs to the Special Issue Progress in CO₂ Storage Materials)

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23 pages, 4361 KiB

Open AccessArticle

Novel Visible Light-Driven Ho₂InSbO₇/Ag₃PO₄ Photocatalyst for Efficient Oxytetracycline Contaminant Degradation

by Jingfei Luan and Tiannan Zhao

Molecules 2025, 30(15), 3289; https://doi.org/10.3390/molecules30153289 - 6 Aug 2025

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Abstract

In this study, a Z-scheme Ho₂InSbO₇/Ag₃PO₄ (HAO) heterojunction photocatalyst was successfully fabricated for the first time by ultrasound-assisted solvothermal method. The structural features, compositional components and morphological characteristics of the synthesized materials were thoroughly characterized by [...] Read more.

In this study, a Z-scheme Ho₂InSbO₇/Ag₃PO₄ (HAO) heterojunction photocatalyst was successfully fabricated for the first time by ultrasound-assisted solvothermal method. The structural features, compositional components and morphological characteristics of the synthesized materials were thoroughly characterized by a series of techniques, including X-ray diffraction, Fourier transform infrared spectroscopy, Raman spectrum, X-ray photoelectron spectroscopy, transmission electron microscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. A comprehensive array of analytical techniques, including ultraviolet-visible diffuse reflectance absorption spectra, photoluminescence spectroscopy, time-resolved photoluminescence spectroscopy, photocurrent testing, electrochemical impedance spectroscopy, electron paramagnetic resonance, and ultraviolet photoelectron spectroscopy, was employed to systematically investigate the optical, chemical, and photoelectronic properties of the materials. Using oxytetracycline (OTC), a representative tetracycline antibiotic, as the target substrate, the photocatalytic activity of the HAO composite was assessed under visible light irradiation. Comparative analyses demonstrated that the photocatalytic degradation capability of the HAO composite surpassed those of its individual components. Notably, during the degradation process, the application of the HAO composite resulted in an impressive removal efficiency of 99.89% for OTC within a span of 95 min, along with a total organic carbon mineralization rate of 98.35%. This outstanding photocatalytic performance could be ascribed to the efficient Z-scheme electron-hole separation system occurring between Ho₂InSbO₇ and Ag₃PO₄. Moreover, the adaptability and stability of the HAO heterojunction were thoroughly validated. Through experiments involving the capture of reactive species and electron paramagnetic resonance analysis, the active species generated by HAO were identified as hydroxyl radicals (•OH), superoxide anions (•O₂⁻), and holes (h⁺). This identification provides valuable insights into the mechanisms and pathways associated with the photodegradation of OTC. In conclusion, this research not only elucidates the potential of HAO as an efficient Z-scheme heterojunction photocatalyst but also marks a significant contribution to the advancement of sustainable remediation strategies for OTC contamination. Full article

(This article belongs to the Special Issue Nanomaterials in Photochemical Devices: Advances and Applications)

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14 pages, 1384 KiB

Open AccessArticle

Volatile Essential Oils from Different Tree Species Influence Scent Impression and Physiological Response

by Eri Matsubara and Naoyuki Matsui

Molecules 2025, 30(15), 3288; https://doi.org/10.3390/molecules30153288 - 6 Aug 2025

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Abstract

The large number of underutilized tree residues in Japan is a matter of concern, and their appropriate application needs to be promoted. Trees are very diverse, and there are differences in the volatile essential oil compounds and biological activities among different tree species. [...] Read more.

The large number of underutilized tree residues in Japan is a matter of concern, and their appropriate application needs to be promoted. Trees are very diverse, and there are differences in the volatile essential oil compounds and biological activities among different tree species. However, the effects of these tree species’ characteristics on human sensitivity and mental and physical functionality remain underexplored. This study investigated the effects of essential oils from multiple tree species on subjective and physiological responses. The essential oils from nine tree species were tested, subjective scent assessments were conducted, and their effect on autonomic nervous activity was measured. The volatile profiles of the oils were analyzed using gas chromatography–mass spectrometry. Our findings revealed clear differences in the composition of volatile essential oils among species, which influenced the scent evaluation and individual preferences. We suggest that scent preferences have the potential to influence physiological responses. The findings indicate that volatile essential oils could play a potential role in making use of tree resources effectively, and they may also be beneficial for maintaining human health. Full article

(This article belongs to the Section Natural Products Chemistry)

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16 pages, 4006 KiB

Open AccessArticle

Ionic Liquid-Based Centrifuge-Less Cloud Point Extraction of a Copper(II)–4-Nitrocatechol Complex and Its Analytical Application

by Denitsa Kiradzhiyska, Nikolina Milcheva, Miglena Ruzmanova, Fatma Genç, Petya Racheva and Kiril Gavazov

Molecules 2025, 30(15), 3287; https://doi.org/10.3390/molecules30153287 - 6 Aug 2025

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Abstract

A novel centrifuge-less cloud point extraction (CL-CPE) method was developed for the spectrophotometric determination of copper(II) using 4-nitrocatechol (4NC) as the chelating agent. The extraction system utilizes a mixed micellar phase composed of the nonionic surfactant Triton X-114 and the ionic liquid (IL) [...] Read more.

A novel centrifuge-less cloud point extraction (CL-CPE) method was developed for the spectrophotometric determination of copper(II) using 4-nitrocatechol (4NC) as the chelating agent. The extraction system utilizes a mixed micellar phase composed of the nonionic surfactant Triton X-114 and the ionic liquid (IL) Aliquat^® 336 (A336). The extracted ternary ion-association complex, identified as (A336⁺)₂[Cu(4NC)₂], exhibits a maximum absorbance at 451 nm, with a molar absorption coefficient of 8.9 × 10⁴ M⁻¹ cm⁻¹ and a Sandell’s sensitivity of 0.71 ng cm⁻². The method demonstrates a linear response in the copper(II) concentration range of 32–763 ng mL⁻¹ and a limit of detection of 9.7 ng mL⁻¹. The logarithmic extraction constant (log K_ex) was determined to be 7.9, indicating efficient extraction. Method performance, evaluated by the Blue Applicability Grade Index (BAGI) and the Click Analytical Chemistry Index (CACI), confirmed its feasibility, practicality, simplicity, convenience, cost-effectiveness, environmental friendliness, and analytical competitiveness. The proposed IL-CL-CPE method was successfully applied to the analysis of a dietary supplement, a solution for infusion, and synthetic mixtures simulating various copper alloys. Full article

(This article belongs to the Special Issue Recent Advances in Extraction Techniques for Elemental Analysis)

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33 pages, 5098 KiB

Open AccessReview

Medicinal Plants for Skin Disorders: Phytochemistry and Pharmacological Insights

by Nazerke Bolatkyzy, Daniil Shepilov, Rakhymzhan Turmanov, Dmitriy Berillo, Tursunay Vassilina, Nailya Ibragimova, Gulzat Berganayeva and Moldyr Dyusebaeva

Molecules 2025, 30(15), 3281; https://doi.org/10.3390/molecules30153281 - 6 Aug 2025

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Abstract

Skin disorders are common and often chronic conditions with significant therapeutic challenges. Limitations of conventional treatments, such as adverse effects and antimicrobial resistance, have increased interest in plant-based alternatives. This article presents the phytochemical composition and pharmacological potential of several medicinal plants traditionally [...] Read more.

Skin disorders are common and often chronic conditions with significant therapeutic challenges. Limitations of conventional treatments, such as adverse effects and antimicrobial resistance, have increased interest in plant-based alternatives. This article presents the phytochemical composition and pharmacological potential of several medicinal plants traditionally used in the treatment of skin diseases, including Rubus vulgaris, Plantago major, Artemisia terrae-albae, and Eryngium planum. Based on an analysis of scientific literature, the presence of bioactive compounds—including flavonoids, anthocyanins, phenolic acids, tannins, and sesquiterpenes—is summarized, along with their antioxidant, anti-inflammatory, and antimicrobial effects. Emphasis is placed on the correlation between traditional ethnomedicinal applications and pharmacological mechanisms. The findings support the potential of these species as sources for dermatological phytotherapeutics. Further research is needed to standardize active constituents, assess safety, and conduct clinical validation. Full article

(This article belongs to the Special Issue Bioactive Molecules in Medicinal Plants)

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20 pages, 1523 KiB

Open AccessArticle

Structural and Vibrational Characterizations of Alizarin Red S

by César A. N. Catalán, Licínia L. G. Justino, Rui Fausto, Gulce O. Ildiz and Silvia Antonia Brandán

Molecules 2025, 30(15), 3286; https://doi.org/10.3390/molecules30153286 - 5 Aug 2025

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Abstract

In this work, the structures of the isolated anion and anhydrous and monohydrated sodium salts of alizarin red S (ARS) have been theoretically investigated within the density functional theory framework (B3LYP/6-311++G** calculations). The combination of calculations with the scaled quantum mechanics force field [...] Read more.

In this work, the structures of the isolated anion and anhydrous and monohydrated sodium salts of alizarin red S (ARS) have been theoretically investigated within the density functional theory framework (B3LYP/6-311++G** calculations). The combination of calculations with the scaled quantum mechanics force field (SQMFF) methodology has allowed the assignment of the experimental infrared spectrum of ARS in the solid phase and the determination of the corresponding force constants. The structural analysis also included the investigation of the NMR and UV-visible spectra of the compound in solution in light of the undertaken quantum chemical calculations, the obtained theoretical data being in good agreement with the corresponding experimental ones. The impact of the presence of the Na⁺ counterion and hydration water on the properties of the organic ARS⁻ fragment was evaluated. Atoms in molecules theory (AIM) analysis was also undertaken to obtain further details on the electronic structure of the investigated species, and the HOMO-LUMO gap was determined to evaluate their relative reactivity. Globally, the results obtained in this work extend the available information on alizarin red S and may also be used for the fast identification of the three studied species of the compound investigated (anhydrous and monohydrated sodium salts and isolated anion). Full article

(This article belongs to the Section Molecular Structure)

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19 pages, 895 KiB

Open AccessArticle

A Phytochemical and Biological Characterization of Cynara cardunculus L. subsp. scolymus Cultivar “Carciofo di Procida”, a Traditional Italian Agri-Food Product (PAT) of the Campania Region

by Giuseppina Tommonaro, Giulia De Simone, Carmine Iodice, Marco Allarà and Adele Cutignano

Molecules 2025, 30(15), 3285; https://doi.org/10.3390/molecules30153285 - 5 Aug 2025

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Abstract

The artichoke (Cynara cardunculus L. subsp. scolymus) is an endemic perennial plant of the Mediterranean area commonly consumed as food. It is known since ancient times for its beneficial properties for human health, among which its antioxidant activity due to polyphenolics [...] Read more.

The artichoke (Cynara cardunculus L. subsp. scolymus) is an endemic perennial plant of the Mediterranean area commonly consumed as food. It is known since ancient times for its beneficial properties for human health, among which its antioxidant activity due to polyphenolics stands out. In the frame of our ongoing studies aiming to highlight the biodiversity and the chemodiversity of natural resources, we investigated the phenolic and saponin content of the cultivar “Carciofo di Procida” collected at Procida, an island of the Gulf of Naples (Italy). Along with the edible part of the immature flower, we included in our analyses the stem and the external bracts, generally discarded for food consuming or industrial preparations. The LCMS quali-quantitative profiling of polyphenols (including anthocyanins) and cynarasaponins of this cultivar is reported for the first time. In addition to antioxidant properties, we observed a significant cytotoxic activity due to extracts from external bracts against human neuroblastoma SH-SY5Y cell lines with 43% of cell viability, after 24 h from the treatment (50 μg/mL), and less potent but appreciable effects also against human colorectal adenocarcinoma CaCo-2 cells. This suggests that the different metabolite composition may be responsible for the bioactivity of extracts obtained from specific parts of artichoke and foresees a possible exploitation of the discarded material as a source of beneficial compounds. Full article

(This article belongs to the Special Issue Extraction and Analysis of Natural Products in Food—3rd Edition)

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