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Search Results (1,530)

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Keywords = hybrid molecules

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12 pages, 2338 KiB  
Article
Singlet Oxygen-Mediated Micropollutant Degradation Using an FePc-Modified CNT Filter via Peroxymonosulfate Activation
by Chenxin Xie, Yifan Ren and Yanbiao Liu
Catalysts 2025, 15(8), 747; https://doi.org/10.3390/catal15080747 - 5 Aug 2025
Abstract
Herein, we rationally designed a molecular catalytic filter for effective micropollutants decontamination via peroxymonosulfate (PMS) activation. Specifically, iron phthalocanine (FePc) molecules with defined Fe–N4 coordination were immobilized onto carbon nanotubes (CNTs), forming a hybrid catalyst that integrated molecular precision with heterogeneous catalytic [...] Read more.
Herein, we rationally designed a molecular catalytic filter for effective micropollutants decontamination via peroxymonosulfate (PMS) activation. Specifically, iron phthalocanine (FePc) molecules with defined Fe–N4 coordination were immobilized onto carbon nanotubes (CNTs), forming a hybrid catalyst that integrated molecular precision with heterogeneous catalytic properties. The resulting CNT-FePc filter achieved a 98.4% removal efficiency for bisphenol A (10 ppm) in a single-pass operation system, significantly outperforming the CNT/PMS system without FePc (41.6%). Additionally, the CNT-FePc/PMS system demonstrated remarkable resistance to performance inhibition by common water matrix components. Unlike typical radical-dominated PMS activation processes, mechanistic investigations confirmed that the CNT-FePc/PMS system selectively promoted singlet oxygen (1O2) generation as the primary oxidative pathway. Density functional theory (DFT) calculations revealed that PMS exhibited stronger adsorption on FePc (−3.05 eV) compared to CNT (−2.86 eV), and that FePc effectively facilitated O–O bond elongation in PMS, thereby facilitating 1O2 generation. Additionally, seed germination assays indicated a significant reduction in the biotoxicity of the treated effluents. Overall, this work presents a catalyst design strategy that merges molecular-level coordination chemistry with practical flow-through configuration, enabling rapid, selective, and environmentally benign micropollutant removal. Full article
(This article belongs to the Collection Advanced Catalysts for Wastewater Remediation Technologies)
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34 pages, 10887 KiB  
Article
Heteroaryl-Capped Hydroxamic Acid Derivatives with Varied Linkers: Synthesis and Anticancer Evaluation with Various Apoptosis Analyses in Breast Cancer Cells, Including Docking, Simulation, DFT, and ADMET Studies
by Ekta Shirbhate, Biplob Koch, Vaibhav Singh, Akanksha Dubey, Haya Khader Ahmad Yasin and Harish Rajak
Pharmaceuticals 2025, 18(8), 1148; https://doi.org/10.3390/ph18081148 - 1 Aug 2025
Viewed by 104
Abstract
Background/Objectives: Cancer suffers from unresolved therapeutic challenges owing to the lack of targeted therapies and heightened recurrence risk. This study aimed to investigate the new series of hydroxamate by structurally modifying the pharmacophore of vorinostat. Methods: The present work involves the synthesis of [...] Read more.
Background/Objectives: Cancer suffers from unresolved therapeutic challenges owing to the lack of targeted therapies and heightened recurrence risk. This study aimed to investigate the new series of hydroxamate by structurally modifying the pharmacophore of vorinostat. Methods: The present work involves the synthesis of 15 differently substituted 2H-1,2,3-triazole-based hydroxamide analogs by employing triazole ring as a cap with varied linker fragments. The compounds were evaluated for their anticancer effect, especially their anti-breast cancer response. Molecular docking and molecular dynamics simulations were conducted to examine binding interactions. Results: Results indicated that among all synthesized hybrids, the molecule VI(i) inhibits the growth of MCF-7 and A-549 cells (GI50 < 10 μg/mL) in an antiproliferative assay. Compound VI(i) was also tested for cytotoxic activity by employing an MTT assay against A549, MCF-7, and MDA-MB-231 cell lines, and the findings indicate its potent anticancer response, especially against MCF-7 cells with IC50 of 60 µg/mL. However, it experiences minimal toxicity towards the normal cell line (HEK-293). Mechanistic studies revealed a dual-pathway activation: first, apoptosis (17.18% of early and 10.22% of late apoptotic cells by annexin V/PI analysis); second, cell cycle arrest at the S and G2/M phases. It also promotes ROS generation in a concentration-dependent manner. The HDAC–inhibitory assay, extended in silico molecular docking, and MD simulation experiments further validated its significant binding affinity towards HDAC 1 and 6 isoforms. DFT and ADMET screening further support the biological proclivity of the title compounds. The notable biological contribution of VI(i) highlights it as a potential candidate, especially against breast cancer cells. Full article
(This article belongs to the Section Medicinal Chemistry)
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10 pages, 1555 KiB  
Article
Lithium-Decorated C26 Fullerene in DFT Investigation: Tuning Electronic Structures for Enhanced Hydrogen Storage
by Jiangang Yu, Lili Liu, Quansheng Li, Zhidong Xu, Yujia Shi and Cheng Lei
Molecules 2025, 30(15), 3223; https://doi.org/10.3390/molecules30153223 - 31 Jul 2025
Viewed by 205
Abstract
Hydrogen energy holds immense potential to address the global energy crisis and environmental challenges. However, its large-scale application is severely hindered by the lack of efficient hydrogen storage materials. This study systematically investigates the H2 adsorption properties of intrinsic C26 fullerene [...] Read more.
Hydrogen energy holds immense potential to address the global energy crisis and environmental challenges. However, its large-scale application is severely hindered by the lack of efficient hydrogen storage materials. This study systematically investigates the H2 adsorption properties of intrinsic C26 fullerene and Li-decorated C26 fullerene using density functional theory (DFT) calculations. The results reveal that Li atoms preferentially bind to the H5-5 site of C26, driven by significant electron transfer (0.90 |e|) from Li to C26. This electron redistribution modulates the electronic structure of C26, as evidenced by projected density of states (PDOS) analysis, where the p orbitals of C atoms near the Fermi level undergo hybridization with Li orbitals, enhancing the electrostatic environment for H2 adsorption. For Li-decorated C26, the average adsorption energy and consecutive adsorption energy decrease as more H2 molecules are adsorbed, indicating a gradual weakening of adsorption strength and signifying a saturation limit of three H2 molecules. Charge density difference and PDOS analyses further demonstrate that H2 adsorption induces synergistic electron transfer from both Li (0.89 |e| loss) and H2 (0.01 |e| loss) to C26 (0.90 |e| gain), with orbital hybridization between H s orbitals, C p orbitals, and Li orbitals stabilizing the adsorbed system. This study aimed to provide a comprehensive understanding of the microscopic mechanism underlying Li-enhanced H2 adsorption on C26 fullerene and offer insights into the rational design of metal-decorated fullerene-based systems for efficient hydrogen storage. Full article
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22 pages, 2394 KiB  
Article
Synthesis and Molecular Modeling of Antioxidant and Anti-Inflammatory Five-Membered Heterocycle–Cinnamic Acid Hybrids
by Konstantinos Theodoridis, Eleftherios Charissopoulos, Dimitra Tsioumela and Eleni Pontiki
Molecules 2025, 30(15), 3148; https://doi.org/10.3390/molecules30153148 - 27 Jul 2025
Viewed by 630
Abstract
In this study, the design and synthesis of a novel series of cinnamic acid and 1,2,4-triazole hybrids were reported, aiming to enhance antioxidant and lipoxygenase inhibitory activities through pharmacophore combination. Cinnamic acid derivatives and 1,2,4-triazoles exhibit a broad spectrum of biological activities; therefore, [...] Read more.
In this study, the design and synthesis of a novel series of cinnamic acid and 1,2,4-triazole hybrids were reported, aiming to enhance antioxidant and lipoxygenase inhibitory activities through pharmacophore combination. Cinnamic acid derivatives and 1,2,4-triazoles exhibit a broad spectrum of biological activities; therefore, by synthesizing hybrid molecules, we would like to exploit the beneficial characteristics of each scaffold. The general synthetic procedure comprises three synthetic steps, starting from the reaction of appropriate substituted cinnamic acid with hydrazine monohydrate in acetonitrile with cyclohexane and resulting in the formation of hydrazides. Consequently, the hydrazides reacted with phenylisothiocyanate under microwave irradiation conditions. Then, cyclization proceeded to the 1,2,4-triazole after the addition of NaOH solution and microwave irradiation. All the synthesized derivatives have been studied for their ability (a) to interact with the free radical DPPH, (b) inhibit lipid peroxidation induced by AAPH, and (c) inhibit soybean lipoxygenase. The synthesized derivatives have shown significant antioxidant activity and have been proved to be very good lipoxygenase inhibitors. Compounds 4b and 4g (IC50 = 4.5 μM) are the most potent within the series followed by compound 6a (IC50 = 5.0 μM). All the synthesized derivatives have been subjected to docking studies related to soybean lipoxygenase. Compound 4g exhibited a docking score of −9.2 kcal/mol and formed hydrophobic interactions with Val126, Tyr525, Lys526, Arg533, and Trp772, as well as a π−cation interaction with Lys526. Full article
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34 pages, 924 KiB  
Review
Three-Dimensional Disassemblable Scaffolds for Breast Reconstruction
by Viktoriia Kiseleva, Aida Bagdasarian, Polina Vishnyakova, Andrey Elchaninov, Victoria Karyagina, Valeriy Rodionov, Timur Fatkhudinov and Gennady Sukhikh
Polymers 2025, 17(15), 2036; https://doi.org/10.3390/polym17152036 - 25 Jul 2025
Viewed by 516
Abstract
In recent years, significant progress has been made in breast reconstructive surgery, particularly with the use of three-dimensional (3D) disassemblable scaffolds. Reconstructive plastic surgery aimed at restoring the shape and size of the mammary gland offers medical, psychological, and social benefits. Using autologous [...] Read more.
In recent years, significant progress has been made in breast reconstructive surgery, particularly with the use of three-dimensional (3D) disassemblable scaffolds. Reconstructive plastic surgery aimed at restoring the shape and size of the mammary gland offers medical, psychological, and social benefits. Using autologous tissues allows surgeons to recreate the appearance of the mammary gland and achieve tactile sensations similar to those of a healthy organ while minimizing the risks associated with implants; 3D disassemblable scaffolds are a promising solution that overcomes the limitations of traditional methods. These constructs offer the potential for patient-specific anatomical adaptation and can provide both temporary and long-term structural support for regenerating tissues. One of the most promising approaches in post-mastectomy breast reconstruction involves the use of autologous cellular and tissue components integrated into either synthetic scaffolds—such as polylactic acid (PLA), polyglycolic acid (PGA), poly(lactic-co-glycolic acid) (PLGA), and polycaprolactone (PCL)—or naturally derived biopolymer-based matrices, including alginate, chitosan, hyaluronic acid derivatives, collagen, fibrin, gelatin, and silk fibroin. In this context, two complementary research directions are gaining increasing significance: (1) the development of novel hybrid biomaterials that combine the favorable characteristics of both synthetic and natural polymers while maintaining biocompatibility and biodegradability; and (2) the advancement of three-dimensional bioprinting technologies for the fabrication of patient-specific scaffolds capable of incorporating cellular therapies. Such therapies typically involve mesenchymal stromal cells (MSCs) and bioactive signaling molecules, such as growth factors, aimed at promoting angiogenesis, cellular proliferation, and lineage-specific differentiation. In our review, we analyze existing developments in this area and discuss the advantages and disadvantages of 3D disassemblable scaffolds for mammary gland reconstruction, as well as prospects for their further research and clinical use. Full article
(This article belongs to the Section Biobased and Biodegradable Polymers)
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19 pages, 3427 KiB  
Article
Design, Synthesis, and Electrical Performance of Three-Dimensional Hydrogen-Bonded Imidazole-Octamolybdenum-Oxo Cluster Supramolecular Materials
by Hongzhi Hu, Adila Abuduheni, Yujin Zhao, Yuhao Lin, Yang Liu and Zunqi Liu
Molecules 2025, 30(15), 3107; https://doi.org/10.3390/molecules30153107 - 24 Jul 2025
Viewed by 187
Abstract
Polyoxometalate (POM)-type supramolecular materials have unique structures and hold immense potential for development in the fields of biomedicine, information storage, and electrocatalysis. In this study, (NH4)3 [AlMo6O24H6]·7H2O was employed as a polyacid [...] Read more.
Polyoxometalate (POM)-type supramolecular materials have unique structures and hold immense potential for development in the fields of biomedicine, information storage, and electrocatalysis. In this study, (NH4)3 [AlMo6O24H6]·7H2O was employed as a polyacid anion template, pentacyclic imidazole molecules served as organic ligands, and the moderate-temperature hydrothermal and natural evaporation methods were used in combination for the design and synthesis of two octamolybdenum-oxo cluster (homopolyacids containing molybdenum-oxygen structures as the main small-molecular structures)-based organic–inorganic hybrid compounds, [(C3N2H5)(C3N2H4)][(β-Mo8O26H2)]0.5 (1) and {Zn(C3N2H4)4}{[(γ-Mo8O26)(C3N2H4)2]0.5}·2H2O (2). Structural and property characterization revealed that both compounds crystallized in the P-1 space group with relatively stable three-dimensional structures under the action of hydrogen bonding. Upon temperature stimulation, the [Zn(C3N2H4)4]2+ cation and water molecules in 2 exhibited obvious oscillations, leading to significant dielectric anomalies at approximately 250 and 260 K when dielectric testing was conducted under heating conditions. Full article
(This article belongs to the Section Materials Chemistry)
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14 pages, 2753 KiB  
Article
Phosphorene-Supported Au(I) Fragments for Highly Sensitive Detection of NO
by Huimin Guo, Yuhan Liu and Xin Liu
Molecules 2025, 30(15), 3085; https://doi.org/10.3390/molecules30153085 - 23 Jul 2025
Viewed by 242
Abstract
The fabrication and application of single-site heterogeneous reaction centers are new frontiers in chemistry. Single-site heterogeneous reaction centers are analogous to metal centers in enzymes and transition-metal complexes: they are charged and decorated with ligands and would exhibit superior reactivity and selectivity in [...] Read more.
The fabrication and application of single-site heterogeneous reaction centers are new frontiers in chemistry. Single-site heterogeneous reaction centers are analogous to metal centers in enzymes and transition-metal complexes: they are charged and decorated with ligands and would exhibit superior reactivity and selectivity in chemical conversion. Such high reactivity would also result in significant response, such as a band gap or resistance change, to approaching molecules, which can be used for sensing applications. As a proof of concept, the electronic structure and reaction pathways with NO and NO2 of Au(I) fragments dispersed on phosphorene (Pene) were investigated with first-principle-based calculations. Atomic-deposited Au atoms on Pene (Au1-Pene) have hybridized Au states in the bulk band gap of Pene and a decreased band gap of 0.14 eV and would aggregate into clusters. Passivation of the Au hybrid states with -OH and -CH3 forms thermodynamically plausible HO-Au1-Pene and H3C-Au1-Pene and restores the band gap to that of bulk Pene. Inspired by this, HO-Au1-Pene and H3C-Au1-Pene were examined for detection of NO and NO2 that would react with -OH and -CH3, and the resulting decrease of band gap back to that of Au1-Pene would be measurable. HO-Au1-Pene and H3C-Au1-Pene are highly sensitive to NO and NO2, and their calculated theoretical sensitivities are all 99.99%. The reaction of NO2 with HO-Au1-Pene is endothermic, making the dissociation of product HNO3 more plausible, while the barriers for the reaction of CH3-Au1-Pene with NO and NO2 are too high for spontaneous detection. Therefore, HO-Au1-Pene is not eligible for NO2 sensing and CH3-Au1-Pene is not eligible for NO and NO2 sensing. The calculated energy barrier for the reaction of HO-Au-Pene with NO is 0.36 eV, and the reaction is about thermal neutral, suggesting HO-Au-Pene is highly sensitive for NO sensing and the reaction for NO detection is spontaneous. This work highlights the potential superior sensing performance of transition-metal fragments and their potential for next-generation sensing applications. Full article
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22 pages, 8351 KiB  
Review
Recent Progress in DNA Biosensors: Target-Specific and Structure-Guided Signal Amplification
by Jae Eon Lee and Seung Pil Pack
Biosensors 2025, 15(8), 476; https://doi.org/10.3390/bios15080476 - 23 Jul 2025
Viewed by 442
Abstract
Deoxyribonucleic acid (DNA) is not only a fundamental biological molecule but also a versatile material for constructing sensitive and specific biosensing platforms. Its ability to undergo sequence-specific hybridization via Watson–Crick base pairing enables both precise target recognition and the programmable construction of nanoscale [...] Read more.
Deoxyribonucleic acid (DNA) is not only a fundamental biological molecule but also a versatile material for constructing sensitive and specific biosensing platforms. Its ability to undergo sequence-specific hybridization via Watson–Crick base pairing enables both precise target recognition and the programmable construction of nanoscale structures. The demand for ultrasensitive detection increases in fields such as disease diagnostics, therapeutics, and other areas, and the inherent characteristics of DNA have driven the development of a wide range of signal amplification strategies. Among these, polymerase chain reaction (PCR), rolling circle amplification (RCA), and loop-mediated isothermal amplification (LAMP) represent powerful target-based methods that enzymatically increase the concentration of nucleic acid targets, thereby boosting detection sensitivity. In parallel, structure-based strategies leverage the nanoscale spatial programmability of DNA to construct functional architectures with high precision. DNA can be used as a scaffold, such as DNA nanostructures, to organize sensing elements and facilitate signal transduction. It can also function as a probe, like aptamers, to recognize targets with high affinity. These versatilities enable the creation of highly sophisticated sensing platforms that integrate molecular recognition and signal amplification. Driven by DNA nano-assembly capability, both target-based and structure-based approaches are driving the advancement of highly sensitive, selective, and adaptable diagnostic technologies. This review highlights recent developments in DNA nano-assembly-driven amplification strategies. Full article
(This article belongs to the Special Issue Aptamer-Based Sensing: Designs and Applications)
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35 pages, 1038 KiB  
Review
Hydrogels in Cardiac Surgery: Versatile Platforms for Tissue Repair, Adhesion Prevention, and Localized Therapeutics
by Seok Beom Hong, Jin-Oh Jeong and Hoon Choi
Gels 2025, 11(7), 564; https://doi.org/10.3390/gels11070564 - 21 Jul 2025
Viewed by 494
Abstract
Hydrogels have emerged as multifunctional biomaterials in cardiac surgery, offering promising solutions for myocardial regeneration, adhesion prevention, valve engineering, and localized drug and gene delivery. Their high water content, biocompatibility, and mechanical tunability enable close emulation of the cardiac extracellular matrix, supporting cellular [...] Read more.
Hydrogels have emerged as multifunctional biomaterials in cardiac surgery, offering promising solutions for myocardial regeneration, adhesion prevention, valve engineering, and localized drug and gene delivery. Their high water content, biocompatibility, and mechanical tunability enable close emulation of the cardiac extracellular matrix, supporting cellular viability and integration under dynamic physiological conditions. In myocardial repair, injectable and patch-forming hydrogels have been shown to be effective in reducing infarct size, promoting angiogenesis, and preserving contractile function. Hydrogel coatings and films have been designed as adhesion barriers to minimize pericardial adhesions after cardiotomy and improve reoperative safety. In heart valve and patch engineering, hydrogels contribute to scaffold design by providing bio-instructive, mechanically resilient, and printable matrices that are compatible with 3D fabrication. Furthermore, hydrogels serve as localized delivery platforms for small molecules, proteins, and nucleic acids, enabling sustained or stimuli-responsive release while minimizing systemic toxicity. Despite these advances, challenges such as mechanical durability, immune compatibility, and translational scalability persist. Ongoing innovations in smart polymer chemistry, hybrid composite design, and patient-specific manufacturing are addressing these limitations. This review aims to provide an integrated perspective on the application of hydrogels in cardiac surgery. The relevant literature was identified through a narrative search of PubMed, Scopus, Web of Science, Embase, and Google Scholar. Taken together, hydrogels offer a uniquely versatile and clinically translatable platform for addressing the multifaceted challenges of cardiac surgery. Hydrogels are poised to redefine clinical strategies in cardiac surgery by enabling tailored, bioresponsive, and functionally integrated therapies. Full article
(This article belongs to the Special Issue Recent Advances in Hydrogels for Tissue Engineering Applications)
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17 pages, 2173 KiB  
Article
Unveiling the Solvent Effect: DMSO Interaction with Human Nerve Growth Factor and Its Implications for Drug Discovery
by Francesca Paoletti, Tjaša Goričan, Alberto Cassetta, Jože Grdadolnik, Mykola Toporash, Doriano Lamba, Simona Golič Grdadolnik and Sonia Covaceuszach
Molecules 2025, 30(14), 3030; https://doi.org/10.3390/molecules30143030 - 19 Jul 2025
Viewed by 343
Abstract
Background: The Nerve Growth Factor (NGF) is essential for neuronal survival and function and represents a key therapeutic target for pain and inflammation-related disorders, as well as for neurodegenerative diseases. Small-molecule antagonists of human NGF (hNGF) offer advantages over monoclonal antibodies, including oral [...] Read more.
Background: The Nerve Growth Factor (NGF) is essential for neuronal survival and function and represents a key therapeutic target for pain and inflammation-related disorders, as well as for neurodegenerative diseases. Small-molecule antagonists of human NGF (hNGF) offer advantages over monoclonal antibodies, including oral availability and reduced immunogenicity. However, their development is often hindered by solubility challenges, necessitating the use of solvents like dimethyl sulfoxide (DMSO). This study investigates whether DMSO directly interacts with hNGF and affects its receptor-binding properties. Methods: Integrative/hybrid computational and experimental biophysical approaches were used to assess DMSO-NGF interaction by combining machine-learning tools and Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared (FT-IR) spectroscopy, Differential Scanning Fluorimetry (DSF) and Grating-Coupled Interferometry (GCI). These techniques evaluated binding affinity, conformational stability, and receptor-binding dynamics. Results: Our findings demonstrate that DMSO binds hNGF with low affinity in a specific yet non-disruptive manner. Importantly, DMSO does not induce significant conformational changes in hNGF nor affect its interactions with its receptors. Conclusions: These results highlight the importance of considering solvent–protein interactions in drug discovery, as these low-affinity yet specific interactions can affect experimental outcomes and potentially alter the small molecules binding to the target proteins. By characterizing DMSO-NGF interactions, this study provides valuable insights for the development of NGF-targeting small molecules, supporting their potential as effective alternatives to monoclonal antibodies for treating pain, inflammation, and neurodegenerative diseases. Full article
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19 pages, 2897 KiB  
Article
Noncovalently Immobilized Glucose Oxidase/Horseradish Peroxidase Cascade on Polyamide Supports for Eco-Friendly Polyaniline Synthesis
by Nadya V. Dencheva, Joana F. Braz, Sofia A. Guimarães and Zlatan Z. Denchev
Molecules 2025, 30(14), 3003; https://doi.org/10.3390/molecules30143003 - 17 Jul 2025
Viewed by 298
Abstract
This study discloses the noncovalent immobilization of a bienzyme cascade composed of glucose oxidase (GOx) and horseradish peroxidase (HRP) onto magnetically responsive polyamide microparticles (PA MPs). Porous PA6, PA4, and PA12 MPs containing iron fillers were synthesized via activated anionic ring-opening polymerization in [...] Read more.
This study discloses the noncovalent immobilization of a bienzyme cascade composed of glucose oxidase (GOx) and horseradish peroxidase (HRP) onto magnetically responsive polyamide microparticles (PA MPs). Porous PA6, PA4, and PA12 MPs containing iron fillers were synthesized via activated anionic ring-opening polymerization in suspension, alongside neat PA6 MPs used as a reference. Four hybrid catalytic systems (GOx/HRP@PA) were prepared through sequential adsorption of HRP and GOx onto the various PA MP supports. The initial morphologies of the supports and the hybrid biocatalysts were characterized by SEM, followed by evaluation of the catalytic performance using a two-step glucose oxidation cascade process. Among all systems, the GOx/HRP@PA4-Fe complex exhibited the highest activity, being approximately 1.5 times greater than the native enzyme dyad, followed by the PA6-supported system with slightly inferior performance. All systems obeyed Michaelis–Menten kinetics, with the immobilized cascades displaying higher Kₘ and Vₘₐₓ values than the non-immobilized enzyme pair while maintaining comparable catalytic efficiencies, CE (CE = kcat/Kₘ). Subsequently, the immobilized and native enzyme systems were employed for the polymerization of aniline. According to UV–VIS, complete monomer conversion was achieved within 24 h for selected catalysts, and FTIR analysis confirmed the formation of polyaniline in the emeraldine base form without the use of template molecules. These findings highlight the potential of Fe-containing polyamide microparticles as efficient supports for the sustainable, enzyme-mediated synthesis of intrinsically conductive aromatic polymers. Full article
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20 pages, 4322 KiB  
Article
The 1D Hybrid Material Allylimidazolium Iodoantimonate: A Combined Experimental and Theoretical Study
by Hela Ferjani, Rim Bechaieb, Diego M. Gil and Axel Klein
Inorganics 2025, 13(7), 243; https://doi.org/10.3390/inorganics13070243 - 15 Jul 2025
Viewed by 452
Abstract
The one-dimensional (1D) Sb(III)-based organic–inorganic hybrid perovskite (AImd)21[SbI5] (AImd = 1-allylimidazolium) crystallizes in the orthorhombic, centrosymmetric space group Pnma. The structure consists of corner-sharing [SbI6] octahedra forming 1D chains separated by allylimidazolium cations. Void [...] Read more.
The one-dimensional (1D) Sb(III)-based organic–inorganic hybrid perovskite (AImd)21[SbI5] (AImd = 1-allylimidazolium) crystallizes in the orthorhombic, centrosymmetric space group Pnma. The structure consists of corner-sharing [SbI6] octahedra forming 1D chains separated by allylimidazolium cations. Void analysis through Mercury CSD software confirmed a densely packed lattice with a calculated void volume of 1.1%. Integrated quantum theory of atoms in molecules (QTAIM) and non-covalent interactions index (NCI) analyses showed that C–H···I interactions between the cations and the 1[SbI5]2− network predominantly stabilize the supramolecular assembly followed by N–H···I hydrogen bonds. The calculated growth morphology (GM) model fits very well to the experimental morphology. UV–Vis diffuse reflectance spectroscopy allowed us to determine the optical band gap to 3.15 eV. Density functional theory (DFT) calculations employing the B3LYP, CAM-B3LYP, and PBE0 functionals were benchmarked against experimental data. CAM-B3LYP best reproduced Sb–I bond lengths, while PBE0 more accurately captured the HOMO–LUMO gap and the associated electronic descriptors. These results support the assignment of an inorganic-to-organic [Sb–I] → π* charge-transfer excitation, and clarify how structural dimensionality and cation identity shape the material’s optoelectronic properties. Full article
(This article belongs to the Section Inorganic Materials)
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17 pages, 1258 KiB  
Review
Design and Applications of Extracellular Matrix Scaffolds in Tissue Engineering and Regeneration
by Sylvia Mangani, Marios Vetoulas, Katerina Mineschou, Konstantinos Spanopoulos, Maria dM. Vivanco, Zoi Piperigkou and Nikos K. Karamanos
Cells 2025, 14(14), 1076; https://doi.org/10.3390/cells14141076 - 15 Jul 2025
Viewed by 1280
Abstract
Tissue engineering is a growing field with multidisciplinary players in cell biology, engineering, and medicine, aiming to maintain, restore, or enhance functions of tissues and organs. The extracellular matrix (ECM) plays fundamental roles in tissue development, maintenance, and repair, providing not only structural [...] Read more.
Tissue engineering is a growing field with multidisciplinary players in cell biology, engineering, and medicine, aiming to maintain, restore, or enhance functions of tissues and organs. The extracellular matrix (ECM) plays fundamental roles in tissue development, maintenance, and repair, providing not only structural support, but also critical biochemical and biomechanical cues that regulate cell behavior and signaling. Although its specific composition varies across different tissue types and developmental stages, matrix molecules influence various cell functional properties in every tissue. Given the importance of ECM in morphogenesis, tissue homeostasis, and regeneration, ECM-based bioscaffolds, developed through tissue engineering approaches, have emerged as pivotal tools for recreating the native cellular microenvironment. The aim of this study is to present the main categories of these scaffolds (i.e., natural, synthetic, and hybrid), major fabrication techniques (i.e., tissue decellularization and multidimensional bioprinting), while highlighting the advantages and disadvantages of each category, focusing on biological activity and mechanical performance. Scaffold properties, such as mechanical strength, elasticity, biocompatibility, and biodegradability are essential to their function and integration into host tissues. Applications of ECM-based bioscaffolds span a range of engineering and regenerative strategies, including cartilage, bone, cardiac tissue engineering, and skin wound healing. Despite promising advances, challenges remain in standardization, scalability, and immune response modulation, with future directions directed towards improving ECM-mimetic platforms. Full article
(This article belongs to the Special Issue Role of Extracellular Matrix in Cancer and Disease)
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17 pages, 6355 KiB  
Article
Regulation of Hindbrain Vascular Development by rps20 in Zebrafish
by Xinyu Shen, Zhaozhi Wen, Shunze Deng, Yuxuan Qiu, Weijie Ma, Xinyue Dong, Jie Gong, Yu Zhang, Dong Liu and Bing Xu
Cells 2025, 14(14), 1070; https://doi.org/10.3390/cells14141070 - 13 Jul 2025
Viewed by 497
Abstract
During aging, the brain vasculature undergoes significant deterioration characterized by increased arterial tortuosity, compromised blood–brain barrier integrity, and reduced cerebral blood flow, all of which contribute to various neurological disorders. Thus, understanding the mechanisms underlying aging-related cerebrovascular defects is critical for developing strategies [...] Read more.
During aging, the brain vasculature undergoes significant deterioration characterized by increased arterial tortuosity, compromised blood–brain barrier integrity, and reduced cerebral blood flow, all of which contribute to various neurological disorders. Thus, understanding the mechanisms underlying aging-related cerebrovascular defects is critical for developing strategies to alleviate aging-associated neurological diseases. In this study, we investigated the role of aging-related genes in brain vascular development using zebrafish as an in vivo model. By thoroughly analyzing scRNA-seq datasets of mid- and old-aged brain vascular endothelial cells (human/mouse), we found ribosomal protein S20 (rps20) significantly down-regulated during aging. qPCR analysis and whole-mount in situ hybridization validated a high expression of rps20 during early zebrafish development, which progressively decreased in adult and aged zebrafish brains. Functional studies using the CRISPR/Cas9-mediated knockout of rps20 revealed an impaired growth of central arteries in the hindbrain and a marked increased intracranial hemorrhage incidence. Mechanistically, qPCR analysis demonstrated a significant downregulation of vegfa, cxcl12b, and cxcr4a, key signaling molecules required for hindbrain vascular development, in rps20-deficient embryos. In conclusion, our findings demonstrate that rps20 is essential for proper brain vascular development and the maintenance of vascular homeostasis in zebrafish, revealing a novel mechanism by which aging-related genes regulate brain vascular development. This study provides new insights that may aid in understanding and treating aging-associated vascular malformations and neurological pathologies. Full article
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17 pages, 1714 KiB  
Review
Tissue-Engineered Tracheal Reconstruction
by Se Hyun Yeou and Yoo Seob Shin
Biomimetics 2025, 10(7), 457; https://doi.org/10.3390/biomimetics10070457 - 11 Jul 2025
Viewed by 532
Abstract
Tracheal reconstruction remains a formidable clinical challenge, particularly for long-segment defects that are not amenable to standard surgical resection or primary anastomosis. Tissue engineering has emerged as a promising strategy for restoring the tracheal structure and function through the integration of biomaterials, stem [...] Read more.
Tracheal reconstruction remains a formidable clinical challenge, particularly for long-segment defects that are not amenable to standard surgical resection or primary anastomosis. Tissue engineering has emerged as a promising strategy for restoring the tracheal structure and function through the integration of biomaterials, stem cells, and bioactive molecules. This review provides a comprehensive overview of recent advances in tissue-engineered tracheal grafts, particularly in scaffold design, cellular sources, fabrication technologies, and early clinical experience. Innovations in biomaterial science, three-dimensional printing, and scaffold-free fabrication approaches have broadened the prospects for patient-specific airway reconstruction. However, persistent challenges, including incomplete epithelial regeneration and mechanical instability, have hindered its clinical translation. Future efforts should focus on the design of modular biomimetic scaffolds, the enhancement of immunomodulatory strategies, and preclinical validation using robust large animal models. Sustained interdisciplinary collaboration among surgical, engineering, and biological fields is crucial for advancing tissue-engineered tracheal grafts for routine clinical applications. Within this context, biomimetic approaches, including three-dimensional bioprinting, hybrid materials, and scaffold-free constructs, are gaining prominence as strategies to replicate the trachea’s native architecture and improve graft integration. Full article
(This article belongs to the Special Issue Biomimetic Application on Applied Bioengineering)
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