Molecules

25 pages, 1818 KiB

Open AccessReview

Isolation, Structures, and Bioactivities of Polysaccharides from Achyranthes bidentata: A Review

by Lin Li, Zhihong Wang, Wei Zhang, Longxin Chen, Yingying Yang, Wan Yang, Mengkun Li, Chunhuan Yuan, Limeng Zhang and Linqing Wang

Molecules 2025, 30(12), 2523; https://doi.org/10.3390/molecules30122523 (registering DOI) - 9 Jun 2025

Abstract

Achyranthes bidentata, a traditional Chinese medicinal herb, has garnered significant attentions due to its diverse bioactivities and substantial market potential. Recent advancements in phytochemical and pharmacological research have identified polysaccharides as some of its primary bioactive constituents. These polysaccharides demonstrate a wide [...] Read more.

Achyranthes bidentata, a traditional Chinese medicinal herb, has garnered significant attentions due to its diverse bioactivities and substantial market potential. Recent advancements in phytochemical and pharmacological research have identified polysaccharides as some of its primary bioactive constituents. These polysaccharides demonstrate a wide range of biological effects both in vitro and in vivo, such as antioxidant, immunomodulatory, antitumor, anti-inflammatory, anti-osteoporotic, and gut microbiota-regulating properties. This review comprehensively examines the extraction and purification techniques, structural features, modifications, pharmacological effects, and structure–activity relationships of A. bidentata polysaccharides (ABPs) over the past three decades. By highlighting the multifaceted biological roles and structure–activity correlations of ABPs, this review aims to enhance the understanding of their potential applications and foster further innovation in bioactive research and development. Full article

(This article belongs to the Special Issue Research and Application of Plant Sourced Polysaccharides—2nd Edition)

16 pages, 3759 KiB

Open AccessArticle

Exploring Single-Molecular Magnets for Quantum Technologies

by Wei Wu, Tianhong Huang, Jianhua Zhu, Taoyu Zou and Hai Wang

Molecules 2025, 30(12), 2522; https://doi.org/10.3390/molecules30122522 (registering DOI) - 9 Jun 2025

Abstract

A single-molecule magnet (SMM) is a molecule that functions as a magnet. SMMs can be explored not only for emerging technology but also the fundamental science of their quantum nature, nanometer sizes, and their ease of engineering. This review encompasses the state-of-the-art experiments [...] Read more.

A single-molecule magnet (SMM) is a molecule that functions as a magnet. SMMs can be explored not only for emerging technology but also the fundamental science of their quantum nature, nanometer sizes, and their ease of engineering. This review encompasses the state-of-the-art experiments and theories developed so far for SMMs. We briefly explore their experimental synthesis and characterization. In the experimental synthesis, we cover ‘Click Chemistry’ and supramolecular chemistry. The main experimental characterizations comprise superconducting quantum interference devices, electron paramagnetic resonance, neutron scattering, and X-ray magnetic circular dichroism. The theoretical and computational works based on the density functional theory, the post-Hartree–Fock methods, and the theory of open quantum systems are discussed. Moreover, we exemplify the numerous promising research areas for SMMs by discussing quantum technologies. We envision a brilliant future for the fundamental research and emerging applications of SMMs. Full article

(This article belongs to the Section Physical Chemistry)

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17 pages, 387 KiB

Open AccessReview

Chemical Properties, Preparation, and Pharmaceutical Effects of Cyclic Peptides from Pseudostellaria heterophylla

by Yue Yang, Luan Wen, Zhuang-Zhuang Jiang, Ben Chung-Lap Chan, Ping-Chung Leung, Chun-Kwok Wong and Ning-Hua Tan

Molecules 2025, 30(12), 2521; https://doi.org/10.3390/molecules30122521 - 9 Jun 2025

Abstract

Radix Pseudostellariae (Tai-Zi-Shen), the dried tuberous root of the Caryophyllaceae plant Pseudostellaria heterophylla (Miq.) Pax (P. heterophylla), has been widely used in traditional Chinese medicine (TCM) for thousands of years. It is slightly bitter, neutral in nature, associated with the spleen [...] Read more.

Radix Pseudostellariae (Tai-Zi-Shen), the dried tuberous root of the Caryophyllaceae plant Pseudostellaria heterophylla (Miq.) Pax (P. heterophylla), has been widely used in traditional Chinese medicine (TCM) for thousands of years. It is slightly bitter, neutral in nature, associated with the spleen and lung meridians, and used for nourishing qi, invigorating the spleen, as well as promoting body fluid production and moistening the lungs. In recent years, with the development in natural product chemistry, cyclic peptides, as some of the active constituents derived from P. heterophylla, have gained increasing attention. These cyclic peptides demonstrate a broad range of biological activities, including anticancer, antioxidant, and immunomodulatory effects, as well as cognitive benefits. This review provides an overview of the chemical characteristics and preparation strategies of cyclic peptides from P. heterophylla, and their biological activities and potential mechanisms are also described. The presented work establishes a scientific framework to facilitate the future research and development of P. heterophylla cyclic peptides as potential therapeutic agents. Full article

(This article belongs to the Special Issue Research Progress and Application of Natural Compounds—2nd Edition)

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18 pages, 2417 KiB

Open AccessArticle

Fate of Dissolved Organic Matter and Cooperation Behavior of Coagulation: Fenton Combined with MBR Treatment for Pharmaceutical Tail Water

by Jian Wang, Chunxiao Zhao, Feng Qian, Jie Su and Hongjie Gao

Molecules 2025, 30(12), 2520; https://doi.org/10.3390/molecules30122520 - 9 Jun 2025

Abstract

In this study, the treatment of pharmaceutical tail water (PTW) by coagulation, Fenton combined with membrane bioreactor (MBR), was studied. Optimal parameters were obtained according to batch experiment and central composite design (CCD). Results showed that Polymeric Ferric Sulfate (PFS) was the best [...] Read more.

In this study, the treatment of pharmaceutical tail water (PTW) by coagulation, Fenton combined with membrane bioreactor (MBR), was studied. Optimal parameters were obtained according to batch experiment and central composite design (CCD). Results showed that Polymeric Ferric Sulfate (PFS) was the best coagulant for original pharmaceutical tailwater due to less dosage and higher removal efficiency to TOC, COD, NH₄⁺-N and UV_254m, with the optimized pH = 7.25 and 0.53 g/L PFS dosage. The best coagulation performance was achieved when the mixer was stirred at 250 rpm for 3 min, 60 rpm for 10 min, and then left to stand for 60 min. Coagulation mainly removed organics with molecular weight above 10 kDa. After treated by coagulation, 43.1% TOC removal efficiency of PTW was obtained by Fenton reaction with 11.6 mmol/L H₂O₂, 3.0 mmol/L FeSO₄, pH = 3.3 and T = 50 min. A type of common macromolecule aromatic amino acid compounds which located Ex = 250 nm and Em = 500 nm was the main reason that caused the high TOC concentration in the effluent. Stable COD and NH₄⁺-N removal efficiencies in the MBR reactor within 10 d were observed when the mixture of pre-treated PTW (20%, v) and domestic sewage (80%, v) was fed into the MBR reactor, and over 95% COD and 50% NH₄⁺-N were removed. One kind of amino acid similar to tryptophan was the prime reason that caused PTW resistance to be degraded. Analysis of the microorganism community in the MBR suggested that norank_f__Saprospiraceae was the key microorganism in degrading of PTW. Full article

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14 pages, 6351 KiB

Open AccessArticle

Magnetic Resonance Imaging and X-Ray Imaging Properties of Ultrasmall Lanthanide Oxide (Ln = Eu, Gd, and Tb) Nanoparticles Synthesized via Thermal Decomposition

by Shuwen Liu, Tirusew Tegafaw, Son Long Ho, Huan Yue, Dejun Zhao, Ying Liu, Endale Mulugeta, Xiaoran Chen, Hansol Lee, Dabin Ahn, Ji-ung Yang, Ji Ae Park, Ahrum Baek, Jihyun Kim, Yongmin Chang and Gang Ho Lee

Molecules 2025, 30(12), 2519; https://doi.org/10.3390/molecules30122519 - 9 Jun 2025

Abstract

Owing to their 4f electrons and high atomic numbers, lanthanide (Ln) elements impart lanthanide oxide (Ln₂O₃) nanoparticles with excellent biomedical imaging properties. This study reports synthesis for three types of ultrasmall and monodisperse Ln₂O₃ nanoparticles (Ln [...] Read more.

Owing to their 4f electrons and high atomic numbers, lanthanide (Ln) elements impart lanthanide oxide (Ln₂O₃) nanoparticles with excellent biomedical imaging properties. This study reports synthesis for three types of ultrasmall and monodisperse Ln₂O₃ nanoparticles (Ln = Eu, Gd, and Tb) via thermal decomposition in oleylamine at 280 °C, followed by ligand exchange with citric acid (CA) to produce water-dispersible, CA-grafted Ln₂O₃ nanoparticles with high colloidal stability. The resulting CA-grafted Ln₂O₃ nanoparticles had average diameters of approximately 2 nm. We characterized their physicochemical properties, including in vitro cytotoxicity, magnetic resonance imaging properties (i.e., water proton spin relaxivities), and X-ray imaging properties (i.e., X-ray attenuation). Full article

(This article belongs to the Special Issue Advanced Magnetic Resonance Methods in Materials Chemistry Analysis)

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17 pages, 1153 KiB

Open AccessFeature PaperArticle

Metabolic Profile of Senegalese Sole (Solea senegalensis) Muscle: Effect of Fish–Macroalgae IMTA-RAS Aquaculture

by Flaminia Cesara Marincola, Chiara Palmas, Miguel A. Lastres Couto, Isabel Paz, Javier Cremades, José Pintado, Leonardo Bruni and Gianfranco Picone

Molecules 2025, 30(12), 2518; https://doi.org/10.3390/molecules30122518 - 9 Jun 2025

Abstract

The aquaculture sector is essential for meeting seafood demand while ensuring sustainability. It involves farming fish, mollusks, crustaceans, other invertebrates, and algae in controlled environments, helping to conserve marine resources and reduce ecological pressures. Sustainable practices, such as an integrated multitrophic recirculating aquaculture [...] Read more.

The aquaculture sector is essential for meeting seafood demand while ensuring sustainability. It involves farming fish, mollusks, crustaceans, other invertebrates, and algae in controlled environments, helping to conserve marine resources and reduce ecological pressures. Sustainable practices, such as an integrated multitrophic recirculating aquaculture system (IMTA-RAS) with fish and seaweed, can minimize the environmental impact of fish aquaculture. However, the impact of the introduction of macroalgae on the fish muscle metabolism has not been studied. This research examines the impact of growing Senegalese sole (Solea senegalensis) together with sea lettuce (Ulva ohnoi) on fish metabolism using high-resolution ¹H-NMR-based metabolomics. Three farming systems were compared. These were E₁, a recirculating aquaculture system (RAS); E₂, an IMTA-RAS integrating U. ohnoi for biofiltration; and E₃, an IMTA-RAS with U. ohnoi and Phaeobacter sp. strain 4UAC3, a probiotic bacterium isolated from wild U. australis known to counteract fish pathogens. A metabolomic analysis revealed that energy metabolism was enhanced in IMTA-RAS and even more in IMTA-RAS-Phaeobacter–grown fish, increasing overall metabolic activity. These results indicate that the presence of the algae with the probiotic had a clear impact on the physiological state of the fish, and this deserves further investigation. This study contributes to the understanding of the physiological responses of fish to innovative aquaculture practices, supporting the development of more sustainable and efficient management that reduces the environmental impact and increases fish health and welfare. Full article

(This article belongs to the Special Issue New Trends of Nuclear Magnetic Resonance Spectroscopy (NMR) in Chemical and Biomolecular Studies)

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24 pages, 1714 KiB

Open AccessReview

Engineering and Exploiting Immobilized Peptide Organocatalysts for Modern Synthesis

by Marco Francescato, Hang Liao and Luca Gentilucci

Molecules 2025, 30(12), 2517; https://doi.org/10.3390/molecules30122517 - 9 Jun 2025

Abstract

Short- and medium-sized peptides have long been used as effective and versatile organocatalysts. In the early 80s, Inoue used diketopiperazines in the Strecker reaction, while Juliá and Colonna reported the epoxidation of chalcone catalyzed by poly-L-Ala. Since then, a variety of peptide-catalyzed reactions [...] Read more.

Short- and medium-sized peptides have long been used as effective and versatile organocatalysts. In the early 80s, Inoue used diketopiperazines in the Strecker reaction, while Juliá and Colonna reported the epoxidation of chalcone catalyzed by poly-L-Ala. Since then, a variety of peptide-catalyzed reactions have been described. However, peptide synthesis typically implicates the use of toxic reagents and generates wastes; therefore, peptide recycling is expected to significantly improve the overall sustainability of the process. Easy recovery and recycling of peptide catalysts can be expediently attained by covalent binding, inclusion, or adsorption. In addition, immobilization can significantly accelerate the screening of new peptide catalysts. For these reasons, diverse supports have been tested, including natural or synthetic polymers, porous polymeric networks, inorganic porous materials, organic-inorganic hybrid materials, and finally metal–organic frame-works. Full article

(This article belongs to the Special Issue Organocatalysis: Past, Present, and Future Perspectives)

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15 pages, 1936 KiB

Open AccessArticle

Studying the Formation of Fullerenes During Catagenesis

by Jens Dreschmann and Wolfgang Schrader

Molecules 2025, 30(12), 2516; https://doi.org/10.3390/molecules30122516 - 9 Jun 2025

Abstract

The formation of polycyclic aromatic hydrocarbons (PAHs) during catagenesis does not exclusively lead to planar structures. The inclusion of five-ring elements increases the curvature of PAHs and yields bent molecules. These bowl-like configurations may end in the formation of spherical carbon allotropes as [...] Read more.

The formation of polycyclic aromatic hydrocarbons (PAHs) during catagenesis does not exclusively lead to planar structures. The inclusion of five-ring elements increases the curvature of PAHs and yields bent molecules. These bowl-like configurations may end in the formation of spherical carbon allotropes as fullerenes or nanotubes, as recently shown. The presence of fullerenes in crude oil raises the question of why the reaction is feasible under catagenic conditions although the laboratory synthesis of fullerenes commonly requires high-energy environments. This study focuses on the feasibility of the simulation of catagenesis under laboratory conditions and the question of which building blocks may lead to spherical structures. Possible educts, reaction mechanisms, and conditions such as temperature are discussed and related to experimental outcomes. For the simulation under laboratory conditions, a light gas condensate was fractionated by distillation in order to reduce the number of compounds per fraction and make them distinguishable. The characterization of the resulting fractions was performed through GC-MS and GC-FID measurements before heat application in a closed reactor. High-resolution mass spectrometry (HRMS) measurements of the products indicated PAH growth and, more importantly, the formation of fullerenes. Interestingly, the characterized fullerenes mostly comprised the range of non-IPR (isolated pentagon rule) fullerenes. Full article

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18 pages, 1041 KiB

Open AccessFeature PaperArticle

Oxidative Stress Protection and Anti-Inflammatory Activity of Polyphenolic Fraction from Urtica dioica: In Vitro Study Using Human Skin Cells

by Katarzyna Wójcik-Borowska, Weronika Wójciak, Magdalena Żuk, Piotr Luchowski, Agnieszka Skalska-Kamińska, Wiktoria Pacuła, Ireneusz Sowa and Magdalena Wójciak

Molecules 2025, 30(12), 2515; https://doi.org/10.3390/molecules30122515 - 9 Jun 2025

Abstract

Polyphenols are valuable contributors to skin health, offering potent antioxidant and anti-inflammatory effects that help counteract the process of inflammaging. According to the literature, Urtica dioica L. is a rich source of polyphenolic compounds, suggesting its potential for applications in cosmetology and dermatology. [...] Read more.

Polyphenols are valuable contributors to skin health, offering potent antioxidant and anti-inflammatory effects that help counteract the process of inflammaging. According to the literature, Urtica dioica L. is a rich source of polyphenolic compounds, suggesting its potential for applications in cosmetology and dermatology. This study aimed to evaluate the antioxidant and anti-inflammatory activity of polyphenol-rich fractions isolated from U. dioica leaves (UdLs) and flowers (UdFs) using human skin cells subjected to oxidative stress and lipopolysaccharide (LPS) stimulation, respectively. Extracts were obtained via an accelerated solvent extraction and further purified by a solid-phase extraction to concentrate their polyphenolic content. Their chemical composition was analyzed using UPLC-DAD-MS. Biological activity was assessed through cytotoxicity assays (NR and MTT), chemical and cellular antioxidant assays (DPPH, ABTS, FRAP, CUPRAC, TPC, and H₂DCFDA), an evaluation of antioxidant enzyme activity (SOD, CAT), lipid peroxidation (MDA), and cytokine production (IL-1β, IL-6, IL-10). Our study showed that both fractions were abundant in phenolic compounds, with chlorogenic acid identified as the predominant constituent. UdLs contained higher levels of phenolic acids, whereas the UdF was richer in flavonoids, particularly derivatives of isorhamnetin. Both the UdL and UdF were non-cytotoxic and exhibited strong radical scavenging potential, with the UdL being slightly more effective. They significantly reduced intracellular ROS levels, enhanced the activity of antioxidant enzymes, and attenuated lipid peroxidation in cells exposed to oxidative stress. Moreover, both fractions reduced the secretion of pro-inflammatory cytokines in LPS and H₂O₂-stimulated fibroblasts. These results highlight the potential of polyphenolic fractions derived from U. dioica leaves and flowers as multifunctional ingredients for anti-aging and skin-protective cosmetics. Full article

(This article belongs to the Special Issue Antioxidant, and Anti-Inflammatory Activities of Natural Plants)

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24 pages, 1818 KiB

Open AccessReview

A Review: Using Ionic Liquids for Lignin Extraction from Lignocellulose and High-Value Utilization

by Xinyu Li, Jiming Yang, Wei He, Shuangfei Zhao, Zheng Fang, Kai Guo and Yuguang Li

Molecules 2025, 30(12), 2514; https://doi.org/10.3390/molecules30122514 - 9 Jun 2025

Abstract

Lignocellulose is the most abundant renewable resource in nature, providing a large supply of lignin. The efficient separation and utilization of lignin from lignocellulose can help alleviate the current shortage of fossil fuels. Ionic liquids, as green solvents, have been widely applied in [...] Read more.

Lignocellulose is the most abundant renewable resource in nature, providing a large supply of lignin. The efficient separation and utilization of lignin from lignocellulose can help alleviate the current shortage of fossil fuels. Ionic liquids, as green solvents, have been widely applied in the field of biorefining. However, most research has focused on the extraction and purification of cellulose, while lignin is often treated as a by-product. The high-value utilization of lignin has currently emerged as a hot topic. This review summarizes recent advances in the extraction of lignin from lignocellulose using ionic liquids and the mechanisms of lignin extraction. Additionally, it briefly discusses the applications of ionic liquids in the high-value utilization of lignin, including lignin depolymerization, modification, the preparation of lignin-based functional materials, and biofuels. This review aims to provide ideas for the extraction and high-value utilization of lignin through ionic liquids. Full article

(This article belongs to the Special Issue Lignin: New Insights in Chemistry)

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16 pages, 2648 KiB

Open AccessArticle

Tuning the Inter-Chromophore Electronic Coupling in Perylene Diimide Dimers with Rigid Covalent Linkers

by Guo Yu, Yixuan Gao, Yonghang Li, Yiran Tian, Xiaoyu Zhang, Yandong Han, Jinsheng Song, Wensheng Yang and Xiaonan Ma

Molecules 2025, 30(12), 2513; https://doi.org/10.3390/molecules30122513 - 8 Jun 2025

Abstract

The organic multi-chromophore system has been increasingly attractive due to the potential optoelectronic applications. The inter-chromophore electronic coupling (EC), i.e., J_Coul and J_CT, plays a critical role in determining the relaxation path of the excited state. However, the molecular designing [...] Read more.

The organic multi-chromophore system has been increasingly attractive due to the potential optoelectronic applications. The inter-chromophore electronic coupling (EC), i.e., J_Coul and J_CT, plays a critical role in determining the relaxation path of the excited state. However, the molecular designing strategy for effective tuning of inter-chromophore EC is still challenging. In this computational work, we designed a series of perylene diimides (PDI) covalent dimers with rigid linking cores containing thiophene (Th) or phenyl (Ph) fragments and performed corresponding theoretical investigation to analyze the inter-PDI electronic coupling. Vibrational analysis indicated that the minimized excited state structural relaxation (ES-SR) can ensure the rigid inter-PDI geometry pre-defined by the topological characteristic of linking cores, leading to comparable |J_Coul| on S₀ and S₁ states. The saddle-shaped linking cores allow collaborative tuning of inter-PDI dihedral (α) and slipping (θ) angles, leading to effective tuning of inter-PDI |J_Coul| = 0–1000 cm⁻¹. Our work provides a new molecular designing strategy for effective tuning of inter-chromophore EC for organic chromophores. By using a rigid inter-chromophore structure, the ignorable ES-SR allows simplified molecular designing without considering the plausible geometric difference between S₁ and S₀ states, which might be useful for future applications in organic optoelectronics. Full article

(This article belongs to the Section Materials Chemistry)

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33 pages, 1830 KiB

Open AccessReview

Eleutherococcus senticosus (Acanthopanax senticosus): An Important Adaptogenic Plant

by Grzegorz Kos, Katarzyna Czarnek, Ilona Sadok, Agnieszka Krzyszczak-Turczyn, Paweł Kubica, Karolina Fila, Gizem Emre, Małgorzata Tatarczak-Michalewska, Małgorzata Latalska, Eliza Blicharska, Daniel Załuski, Nazım Şekeroğlu and Agnieszka Szopa

Molecules 2025, 30(12), 2512; https://doi.org/10.3390/molecules30122512 - 8 Jun 2025

Abstract

This comprehensive review focuses on Eleutherococcus senticosus (ES), examining the phytochemical composition, traditional medicinal roles, ecological traits, and pharmacological effects. Native to Northeast Asia, ES is used in traditional Chinese, Korean, and Japanese medicine. The rhizomes and bark are utilized medicinally and valued [...] Read more.

This comprehensive review focuses on Eleutherococcus senticosus (ES), examining the phytochemical composition, traditional medicinal roles, ecological traits, and pharmacological effects. Native to Northeast Asia, ES is used in traditional Chinese, Korean, and Japanese medicine. The rhizomes and bark are utilized medicinally and valued for their adaptogenic properties that enhance stress resistance, boost mental and physical endurance, and exhibit immunostimulatory effects that strengthen the immune system. Its pharmacological potential stems from a variety of bioactive compounds, including eleutherosides, lignans, saponins, flavonoids, and polysaccharides, which contribute to health benefits such as neuroprotective, antidiabetic, anticancer, and antioxidative activities. Neuroprotective properties may aid in the management of neurodegenerative conditions, such as Alzheimer’s and Parkinson’s disease, while antidiabetic effects support glucose regulation and insulin sensitivity. With increasing demands and conservation concerns, sustainable cultivation practices are essential, as ES is endangered in some areas. Plant biotechnology techniques offer solutions to enhance secondary metabolite yields while ensuring genetic stability and minimizing environmental impacts. ES is a promising natural resource for various industries because of its extensive benefits. Still, its conservation and sustainable production are critical and require ongoing research and innovative cultivation strategies. Full article

(This article belongs to the Special Issue Recent Advances in Natural Compounds Research: Chemistry, Biology and Biotechnology)

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69 pages, 1350 KiB

Open AccessReview

Enantiomerically Pure ansa-η⁵-Complexes of Transition Metals as an Effective Tool for Chirality Transfer

by Pavel V. Kovyazin, Leonard M. Khalilov and Lyudmila V. Parfenova

Molecules 2025, 30(12), 2511; https://doi.org/10.3390/molecules30122511 - 8 Jun 2025

Abstract

Chiral ansa-η⁵-complexes of transition metals have shown remarkable efficacy in organometallic synthesis and catalysis. Additionally, enantiomerically pure ansa-complexes hold promise for the development of novel chiral materials and pharmaceuticals. The discovery and synthesis of a diverse range of group IVB [...] Read more.

Chiral ansa-η⁵-complexes of transition metals have shown remarkable efficacy in organometallic synthesis and catalysis. Additionally, enantiomerically pure ansa-complexes hold promise for the development of novel chiral materials and pharmaceuticals. The discovery and synthesis of a diverse range of group IVB and IIIB metal complexes represents a significant milestone in the advancement of stereoselective catalytic methods for constructing metal-C, C-C, C-H, and C-heteroatom bonds. The synthesis of enantiomerically pure metallocenes can be accomplished through several strategies: utilizing optically active precursors of η⁵-ligands, separation of diastereomers of complexes with enantiomerically pure agents, and synthesis via the stereocontrolled reactions of enantiomerically pure σ-complexes with prochiral anions of η⁵-ligands. This review focuses on the analysis of various nuances of the synthesis of enantiomerically pure ansa-η⁵-complexes of titanium and lanthanum families. Their applicability as effective catalysts in asymmetric carbomagnesiation, carbo- and cycloalumination, oligo- and polymerization, Diels–Alder cycloaddition, reactions of zirconaaziridines, cyclization, hydrosilylation, hydrogenation, hydroamination, and other processes are highlighted as well. Full article

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

11 pages, 1142 KiB

Open AccessArticle

A New Fluorescence Band of Anthocyanins as a Simple Oxidation Biomarker of Food Products

by Małgorzata Rak, Grzegorz Bartosz and Izabela Sadowska-Bartosz

Molecules 2025, 30(12), 2510; https://doi.org/10.3390/molecules30122510 - 8 Jun 2025

Abstract

The formation of a new fluorescence band of anthocyanidins and anthocyanidins, centered at about 530 nm (excitation at 460–470 nm), is proposed as a simple indicator of food oxidation. This fluorescence band appeared and increased progressively during the incubation of blueberry juice under [...] Read more.

The formation of a new fluorescence band of anthocyanidins and anthocyanidins, centered at about 530 nm (excitation at 460–470 nm), is proposed as a simple indicator of food oxidation. This fluorescence band appeared and increased progressively during the incubation of blueberry juice under aerobic conditions and the cooking of blueberry homogenate and black carrot. The same effect was observed upon the addition of delphinidin to rapeseed oil subjected to simulated frying. A ratiometric parameter (ratio of the fluorescence intensity at the maximum of the new band to the fluorescence intensity of native anthocyanins/anthocyanidin) is proposed as a versatile index useful for the estimation of the oxidation of food products containing anthocyanins or supplemented with anthocyanins or anthocyanidins. Full article

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

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11 pages, 1664 KiB

Open AccessArticle

Metabolomic Profiling of Iris palaestina via Molecular Networking and Its Anti-Diabetic Potential

by Ayman Turk, Khodr Addam, Bang Yeon Hwang and Mi Kyeong Lee

Molecules 2025, 30(12), 2509; https://doi.org/10.3390/molecules30122509 - 8 Jun 2025

Abstract

The Iris genus is known for its large blooms and significant conservation value, as well as its horticultural appeal. There are over 300 species of irises, which are widely distributed across the northern temperate zone. Iris palaestina (Baker) Barbey, commonly known as the [...] Read more.

The Iris genus is known for its large blooms and significant conservation value, as well as its horticultural appeal. There are over 300 species of irises, which are widely distributed across the northern temperate zone. Iris palaestina (Baker) Barbey, commonly known as the Lebanese iris, is an endemic species of the Middle East with limited prior phytochemical research. This study was conducted to examine the metabolomic complexity and chemical profile of the flower extract of I. palaestina using advanced analytical tools. Molecular networking was employed to investigate its chemotaxonomy and phytochemical composition. In silico annotation tools—network annotation propagation (NAP), DEREPLICATOR, and MS2LDA—were applied to identify chemical classes and substructures within the extract. The flower extract of I. palaestina was found to contain diverse metabolite classes, including flavonoids, terpenoids, and lipids, with a total of 15 compounds annotated. Subsequent chromatographic separation yielded four major compounds, identified as the isoflavonoid irigenin, the flavonoid embinin, the xanthone mangiferin, and the lipid N-lauryldiethanolamine. Among these, irigenin and mangiferin exhibited significant α-glucosidase inhibitory activity, with IC₅₀ values of 32.1 μM and 36.1 μM, respectively. This study provides the first comprehensive metabolomic characterization of I. palaestina, revealing it as a rich source of bioactive phytochemicals spanning multiple metabolite subclasses. These findings emphasize the possible use of I. palaestina for further pharmaceutical investigation and natural product discovery. Full article

(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)

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17 pages, 5282 KiB

Open AccessArticle

Discovery of Novel Imidazothiazole-Based Hydroxamic Acid Derivatives as Potent Indoleamine 2,3-Dioxygenase 1 and Histone Deacetylase 6 Dual Inhibitors

by Shi Zhang, Yan-Fei Wang, Hai-Rui Lu, Xue-Qin Yang, Ye Zhang, Xian-Li Ma and Ri-Zhen Huang

Molecules 2025, 30(12), 2508; https://doi.org/10.3390/molecules30122508 - 7 Jun 2025

Abstract

In order to take advantage of both immunotherapeutic and epigenetic antitumor agents, a series of imidazothiazole-based hydroxamic acid derivatives were designed based on the pharmacophore fusion strategy and evaluated as potent IDO1 and HDAC6 dual inhibitors. Among these inhibitors, the most potent compound [...] Read more.

In order to take advantage of both immunotherapeutic and epigenetic antitumor agents, a series of imidazothiazole-based hydroxamic acid derivatives were designed based on the pharmacophore fusion strategy and evaluated as potent IDO1 and HDAC6 dual inhibitors. Among these inhibitors, the most potent compound 3-(4-Bromophenyl)-N-{4-[(7-(hydroxyamino)-7-oxoheptyl)amino]phenyl}imidazo[2,1-b]thiazole-5-carboxamide (10e) showed considerable IDO1 inhibitory activity and a good selectivity profile for HDAC6 over the other HDAC isoforms. The intracellular inhibition of HDAC6 by 10e was validated by Western blot analysis. Docking studies illustrated that the possible binding modes of compound 10e interacted with IDO1 and HDAC6. Moreover, compound 10e was found to arrest the cell cycle at the G2/M phase in HCT-116 cells. In particular, compound 10e also exhibited potent in vivo antitumor efficacy in CT26 tumor-bearing BALB/c mice models, with no significant toxicity. Collectively, this work provides a promising lead compound that serves as IDO1/HDAC6 dual inhibitor for the development of novel antitumor agents. Full article

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21 pages, 497 KiB

Open AccessArticle

Functional Fruit Snacks Enriched with Natural Sources of Fructooligosaccharides: Composition, Bioactive Compounds, Biological Activity, and Consumer Acceptance

by Paulina Nowicka, Michalina Marcińczak, Martyna Szydłowska and Aneta Wojdyło

Molecules 2025, 30(12), 2507; https://doi.org/10.3390/molecules30122507 - 7 Jun 2025

Abstract

This study aimed to develop innovative fruit leather with programmed health-promoting properties, enriched with fructooligosaccharides (FOS) from chicory and Jerusalem artichoke. Their physicochemical properties were assessed, including the profile of polyphenolic compounds, pro-health effects, and sensory characteristics. The products contained various fruits (including [...] Read more.

This study aimed to develop innovative fruit leather with programmed health-promoting properties, enriched with fructooligosaccharides (FOS) from chicory and Jerusalem artichoke. Their physicochemical properties were assessed, including the profile of polyphenolic compounds, pro-health effects, and sensory characteristics. The products contained various fruits (including pear, red currant, peach, and haskap berry) and 10% FOS powders. It was shown that the addition of FOS reduced acidity and total sugar content while increasing fiber content—especially fructans—and selected minerals (K, Mg, Zn). The addition of FOS also modulated the profile of polyphenolic compounds, whereas fruit leather without FOS was characterized by a higher concentration of these compounds. It was shown that the addition of chicory significantly modulates the ability to inhibit α-glucosidase. At the same time, in the case of the Jerusalem artichoke, the inhibition efficiency depends on the type of fruit matrix. Sensory-wise, the highest scores were given to recipes without FOS additives, with Jerusalem artichoke being better accepted than chicory. The results indicate the potential of using FOS as a functional additive, but their effects on taste and texture require further optimization. Full article

(This article belongs to the Special Issue Functional Foods Enriched with Natural Bioactive Compounds)

18 pages, 847 KiB

Open AccessArticle

New Terpenoids and Polyphenolic Profile of Carpesium cernuum L. of European Origin

by Janusz Malarz, Danuta Jantas, Klaudia Jakubowska, Ryszard Bugno, Anna K. Kiss and Anna Stojakowska

Molecules 2025, 30(12), 2506; https://doi.org/10.3390/molecules30122506 - 7 Jun 2025

Abstract

Carpesium cernuum L., the most widespread representative of the genus Carpesium, has been traditionally used in some regions of Asia as a remedy for various ailments or as a vegetable. Although the plant is distributed in Europe, there is no data on [...] Read more.

Carpesium cernuum L., the most widespread representative of the genus Carpesium, has been traditionally used in some regions of Asia as a remedy for various ailments or as a vegetable. Although the plant is distributed in Europe, there is no data on its medicinal use in this part of the world. The chemical composition of European Carpesium cernuum L. has remained unknown until now, except for the compositions of essential oils distilled from the roots and aerial parts of the plant. Polyphenolic profiles of hydroalcoholic extracts from C. cernuum were studied using the HPLC-MSⁿ technique. The analysis revealed the presence of 24 hydroxycinnamates, which were dominated by caffeoylquinic and caffeoylhexaric acids. Moreover, fractionation of the chloroform extracts from the plant led to the isolation of three new compounds, 8α-angeloyloxy-4β-hydroxy-5β-(3-methylbutyryloxy)-9-oxo-germacran-6α,12-olide, 9β-angeloyloxy-4β,8α-dihydroxy-5β-(3-methylbutyryloxy)-3-oxo-germacran-6α,12-olide, and a dihydrobenzofuran derivative, together with twelve known compounds. 8-Hydroxy-9,10-diisobutyryloxythymol, a monoterpenoid thymol derivative from the roots of the plant, was evaluated for potential neuroprotective and cytotoxic activities using differentiated and undifferentiated SH-SY5Y neuroblastoma cells. At a concentration range of 1–10 μM, the compound provided partial (up to 50%) protection against H₂O₂-induced cell damage in the undifferentiated cells. At concentrations higher than 25 μM, the monoterpenoid significantly reduced the viability of the cells (IC₅₀: 65.7 μM for the undifferentiated cells and 40.9 μM for the differentiated cells). Full article

(This article belongs to the Special Issue State-of-the-Art Analytical Methods for Natural Products)

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15 pages, 1654 KiB

Open AccessArticle

Hydrolytic Enzymes in the Secretome of the Mushrooms P. eryngii and P. ostreatus: A Comparison Between the Two Species

by Tania Petraglia, Tiziana Latronico, Grazia Maria Liuzzi, Angela Fanigliulo, Aniello Crescenzi and Rocco Rossano

Molecules 2025, 30(12), 2505; https://doi.org/10.3390/molecules30122505 - 7 Jun 2025

Abstract

The fungi belonging to the genus Pleurotus can be cultivated in different substrates and represent excellent producers of several extracellular enzymes. In this study, we analyzed eleven hydrolytic enzymes of the P. eryngii and P. ostreatus secretomes, which were collected at three different [...] Read more.

The fungi belonging to the genus Pleurotus can be cultivated in different substrates and represent excellent producers of several extracellular enzymes. In this study, we analyzed eleven hydrolytic enzymes of the P. eryngii and P. ostreatus secretomes, which were collected at three different growth stages after 23 days (mycelial colonization of about 50% of the substrate), 34 days (100% colonization of the substrate) and 50 days (after the first flush). Mushrooms were axenically cultivated on the same substrate. The results demonstrate that proteases, lipases, amylases, α-glucosidase, cellulases (endoglucanase, β-cellobiohydrolase and β-glucosidase) and hemicellulase (xylosidase, glucuronidase, arabinosidase and mannosidase) activities were higher in the secretomes from P. eryngii than those from P. ostreatus. Time course analysis revealed for both species a similar enzymatic activity profile, in which in the early stages of mycelium development, both species use starch as the main carbon source. Protease and lipase activities increased and remained constant during the subsequent formation of fruiting bodies, whereas cellulase and hemicellulase activities decreased after the complete mycelial colonization of the substrate. The zymographic analysis suggested the presence in the secretomes of proteolytic activities belonging to different classes. In conclusion, both mushroom species released into the secretomes a broad spectrum of hydrolytic enzymes potentially useful in various biotechnological fields. Full article

(This article belongs to the Special Issue Food Chemistry and Bioactive Compounds in Relation to Health, 2nd Edition)

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