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23 pages, 1977 KB  
Article
Liposomal Encapsulation of Camptothecin/Carboxymethyl-β-Cyclodextrin Complexes: Stability, Solubility and Cytotoxicity
by Fernando Mesías-Recamán, Alba Durán-Moreno, Thais Carmona, Gema Marcelo and Francisco Mendicuti
Int. J. Mol. Sci. 2026, 27(8), 3705; https://doi.org/10.3390/ijms27083705 - 21 Apr 2026
Abstract
The clinical utility of the anticancer drug camptothecin (CPT) is limited by its poor aqueous solubility and instability in the bloodstream, hindering bioavailability and efficacy. This study explores the complexation of CPT with carboxymethyl-beta-cyclodextrin (cmβCD) to overcome these limitations. Fluorescence spectroscopy [...] Read more.
The clinical utility of the anticancer drug camptothecin (CPT) is limited by its poor aqueous solubility and instability in the bloodstream, hindering bioavailability and efficacy. This study explores the complexation of CPT with carboxymethyl-beta-cyclodextrin (cmβCD) to overcome these limitations. Fluorescence spectroscopy and molecular modeling demonstrated 1:1 inclusion complexes, with stability constants governed by electrostatic interactions that were inversely correlated with pH. To validate this effect, a cationic amino-beta-cyclodextrin (amβCD) was used as a mechanistic control, revealing that Coulombic forces significantly modulate binding strength and stoichiometry. Crucially, cmβCD enhanced CPT solubility by up to 11-fold at 14 × 10−3 moldm−3, enabling a 385-fold increase in drug loading into liposomal carriers compared to the cyclodextrin-free system. Fluorescence-based release studies indicated high liposomal stability at physiological pH and partial CPT release under acidic conditions. Furthermore, CPT-loaded liposomes demonstrated cytotoxicity against cancer cell lines, particularly BT-474, with IC50 values generally comparable to or slightly higher than those of free CPT and the CPT:cmβCD complex, likely due to the distinct lysosomal cellular uptake pathway. This work highlights cmβCD complexation as a promising strategy to enhance CPT solubility and liposomal loading for improved drug delivery. Full article
(This article belongs to the Special Issue Cyclodextrins: Properties and Applications, 3rd Edition)
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28 pages, 7815 KB  
Review
Carbon Dots for Corrosion Protection: A Systematic Review of Applications and Mechanisms
by Xiaochuan Liu, Jinlin Li, Shengbin Li, Chuang He and Haijie He
Nanomaterials 2026, 16(8), 488; https://doi.org/10.3390/nano16080488 - 20 Apr 2026
Abstract
Carbon dots (CDs) have demonstrated promising application prospects in the field of corrosion protection due to their small size, excellent dispersibility, abundant and tunable surface functional groups, low cost, environmental friendliness, and unique fluorescence properties. However, existing reviews have predominantly focused on the [...] Read more.
Carbon dots (CDs) have demonstrated promising application prospects in the field of corrosion protection due to their small size, excellent dispersibility, abundant and tunable surface functional groups, low cost, environmental friendliness, and unique fluorescence properties. However, existing reviews have predominantly focused on the synthesis and photoluminescence properties of CDs, lacking systematic integration and in-depth mechanistic analysis of their diverse applications in corrosion protection. This review systematically summarizes the recent research progress and underlying mechanisms of CDs in five key areas: corrosion inhibitors, anticorrosive coatings, photogenerated cathodic protection, chloride binding, and corrosion monitoring. As corrosion inhibitors, CDs form compact protective films on metal surfaces through synergistic physical and chemical adsorption. In anticorrosive coatings, CDs not only enhance the physical barrier effect but also impart intelligent functionalities such as self-healing and corrosion monitoring. In the field of photogenerated cathodic protection, CDs broaden the light absorption range of semiconductors and facilitate the separation of photogenerated carriers. As chloride binding promoters, CDs promote the formation of cement hydration products, thereby improving the durability of reinforced concrete structures. As sensing platforms, CDs enable early visual detection of corrosion through their specific fluorescence response to ions such as Fe3+. Despite significant progress, challenges remain in scalable preparation, practical application performance in complex environments, and multifunctional integration. This review systematically outlines the research advancements of CDs in corrosion protection, providing a practical reference for subsequent studies and engineering applications. Future research should focus on scalable synthesis, machine learning-assisted design, and the development of integrated multifunctional protection systems to promote the practical application of CDs in the field of corrosion protection. Full article
(This article belongs to the Section 2D and Carbon Nanomaterials)
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38 pages, 10854 KB  
Review
Advances in Yeast Glucan Particles for Oral Drug Delivery
by Hongyi Yin, Yue Wen, Wanneng Li, Shuting Zou, Huanhuan Sun, Tong Chen, Keke Ma, Dean Tian, Jun Liu, Sidan Tian, Mei Liu and Jia Yao
Polymers 2026, 18(8), 994; https://doi.org/10.3390/polym18080994 - 19 Apr 2026
Viewed by 89
Abstract
In recent years, yeast glucan particles (YGPs) have garnered significant attention as novel oral drug delivery carriers, owing to their superior biocompatibility, specific targeting capabilities, and intrinsic immunomodulatory properties. The yeast cell wall is primarily composed of β-glucan and mannan, with minor amounts [...] Read more.
In recent years, yeast glucan particles (YGPs) have garnered significant attention as novel oral drug delivery carriers, owing to their superior biocompatibility, specific targeting capabilities, and intrinsic immunomodulatory properties. The yeast cell wall is primarily composed of β-glucan and mannan, with minor amounts of proteins and lipids. Among these, β-1,3-glucan serves as the pivotal functional component. It not only provides a physical barrier protecting payloads from gastric acidity and enzymatic degradation but also functions as a targeting ligand. By specifically binding to M cells in Peyer’s patches and Dectin-1 receptors on macrophages and dendritic cells, β-1,3-glucan facilitates precise drug delivery to gut-associated lymphoid tissue (GALT) or macrophage-rich inflammatory sites. Consequently, β-1,3-glucan-based YGPs demonstrate immense potential in oral targeted delivery systems for macrophage-associated pathologies. However, native YGPs, constrained by their inherent porous architecture and relatively simple physicochemical properties, often fall short of meeting the complex requirements for precise encapsulation, controlled release, and multifunctionality. To address these limitations, current research is actively exploring the functionalization of YGPs with various composite materials to engineer advanced delivery platforms. This review introduces the composition, structural characteristics, and fabrication methodologies of YGPs, alongside their specific merits and limitations in oral drug delivery. Furthermore, it critically analyzes strategies for modifying YGPs with composite materials to overcome delivery barriers. Finally, the review discusses their therapeutic applications across various diseases and outlines future developmental trends. Full article
(This article belongs to the Special Issue Advances in Polymeric Biomaterials for Biomedical Applications)
14 pages, 6562 KB  
Article
Fish Oil Ameliorates Deoxynivalenol-Induced Liver Injury Through Modulating Ferroptosis Signaling Pathway in Weaned Pigs
by Jiasi Liu, Minfang Zhang, Mohan Zhou, Junjie Guo, Shaokui Chen, Kan Xiao and Yulan Liu
Animals 2026, 16(8), 1234; https://doi.org/10.3390/ani16081234 - 17 Apr 2026
Viewed by 124
Abstract
Fish oil (FO) has been shown to confer beneficial effects on hepatic diseases in both humans and animals. This study aimed to investigate whether dietary fish oil (FO) supplementation alleviates deoxynivalenol (DON)-induced liver injury by modulating the ferroptosis signaling pathway in weaned piglets. [...] Read more.
Fish oil (FO) has been shown to confer beneficial effects on hepatic diseases in both humans and animals. This study aimed to investigate whether dietary fish oil (FO) supplementation alleviates deoxynivalenol (DON)-induced liver injury by modulating the ferroptosis signaling pathway in weaned piglets. Twenty-four weaned piglets were allocated to a 2 × 2 factorial design, with the main factors consisting of dietary treatment (5% corn oil or 5% FO supplementation) and DON exposure (basal diet or diet contaminated with 4 mg/kg DON). After 21 days of dietary treatment, piglets were euthanized for collection of blood and liver samples. Dietary FO significantly attenuated DON-induced hepatic structural damage and inflammatory infiltration. Specifically, FO supplementation reduced the activities of aspartate transaminase (AST) and alkaline phosphatase (ALP), as well as the AST/alanine aminotransferase (ALT) ratio following DON exposure. Dietary FO also decreased malondialdehyde (MDA) concentrations in both the liver and serum, lowered hepatic 4-hydroxynonenal (4-HNE) level and Fe2+ content, and increased hepatic glutathione (GSH) content. Moreover, dietary FO ameliorated ultrastructural liver damage induced by DON. Furthermore, DON significantly downregulated the mRNA levels of multiple genes associated with iron metabolism and ferroptosis, including heat shock protein beta-1 (HSPB1), acyl-CoA synthetase long chain family member 4 (ACSL4), and arachidonate 15-lipoxygenase (ALOX15), and upregulated the mRNA levels of transferrin (TF), ferritin heavy chain (FTH), solute carrier family 7 member 11 (SLC7A11), and transferrin receptor 1 (TFR1). Dietary FO counteracted these alterations by decreasing the mRNA of SLC7A11, TFR1, FTH, and TF after DON exposure. Finally, FO significantly decreased the protein expression of SLC7A11, iron-responsive element-binding protein 2 (IREB2), and FHT1 and increased the GPX4 protein expression following DON exposure. These findings suggest that FO may ameliorate DON-induced liver injury in weaned piglets, possibly through suppressing the ferroptosis signaling pathway. Full article
(This article belongs to the Section Animal Nutrition)
17 pages, 3616 KB  
Article
Sterol Carrier Protein X (SCP-x) Regulates Cholesterol Transport in the Migratory Locust Locusta migratoria
by Dengbo Li, Tian Miao, Zige Wang, Zimeng Lang, Zixin Wang, Zixuan Zhou, Jinming Zhao, Panting Ma and Yuemin Ma
Biology 2026, 15(8), 613; https://doi.org/10.3390/biology15080613 - 13 Apr 2026
Viewed by 330
Abstract
Sterol Carrier Protein X (SCP-x) is an evolutionarily conserved lipid transport protein that plays important roles in sterol metabolism. In insects, cholesterol is an essential component of cellular membranes and the precursor of ecdysteroids, yet insects cannot synthesize cholesterol de novo and must [...] Read more.
Sterol Carrier Protein X (SCP-x) is an evolutionarily conserved lipid transport protein that plays important roles in sterol metabolism. In insects, cholesterol is an essential component of cellular membranes and the precursor of ecdysteroids, yet insects cannot synthesize cholesterol de novo and must obtain it from dietary sources. However, the functional role of SCP-x in cholesterol absorption and transport in insects remains poorly understood. In this study, the SCP-x gene from the migratory locust Locusta migratoria was identified and characterized using transcriptomic data from the midgut and fat body. The full-length LmSCP-x encodes a 404-amino-acid protein containing both the 3-oxoacyl-CoA thiolase domain and the sterol carrier protein-2 domain. Expression analysis revealed that LmSCP-x is predominantly expressed in the midgut and fat body, and subcellular localization experiments showed that the protein is mainly distributed in the cytoplasm. RNA interference-mediated knockdown of LmSCP-x significantly reduced cholesterol levels in the fat body and delayed nymphal development. Structural prediction using AlphaFold 3 further revealed a conserved three-dimensional structure of the SCP-2 domain, and molecular docking identified key amino acid residues involved in cholesterol binding, which were subsequently validated by bio-layer interferometry assays. Together, these results demonstrate that LmSCP-x plays a crucial role in cholesterol transport in L. migratoria and provide new insights into sterol metabolism in insects, offering potential targets for the development of novel pest management strategies. Full article
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29 pages, 3021 KB  
Article
Molecular Insights into Phage–Hydrogel Polymer Interactions Through Docking, Molecular Dynamics, and Machine Learning
by Roba M. S. Attar and Mohammed A. Imam
Polymers 2026, 18(8), 906; https://doi.org/10.3390/polym18080906 - 8 Apr 2026
Viewed by 414
Abstract
An efficient bacteriophage delivery system needs to be developed to overcome the challenges associated with phage instability, rapid diffusion, and loss of infectivity at the infection site. Hydrogels have been found to be potential carriers. Hydrogels have emerged as promising carriers due to [...] Read more.
An efficient bacteriophage delivery system needs to be developed to overcome the challenges associated with phage instability, rapid diffusion, and loss of infectivity at the infection site. Hydrogels have been found to be potential carriers. Hydrogels have emerged as promising carriers due to their biocompatibility, tunable physicochemical properties and capacity for controlled release. However, the molecular factors that regulate phage–hydrogel interactions remain poorly understood. In this study, we employed an in silico framework combining molecular docking, molecular dynamics (MD) simulations, MM/PBSA binding energy calculations, machine learning-based adhesion prediction, and diffusion modeling to explore phage–hydrogel interactions at the molecular level. Surface-exposed bacteriophage proteins, such as capsid and tail proteins, were evaluated against eight different hydrogel polymers. Binding site analysis revealed the presence of multiple solvent-accessible pockets that can interact with the polymer. Docking studies showed favorable and stable interactions, with hyaluronic acid showing strong binding affinity to multiple phage proteins (−5.5 to −5.7 kcal/mol) and GelMA showing high affinity to the capsid gp10 protein (−5.6 kcal/mol). The integrity of the structural complexes was further confirmed by 100 ns MD simulations, stable RMSD and RMSF trajectories, compact structural conformations, and favorable MM/PBSA binding energies. Machine learning classification successfully differentiated high- and low-adhesion systems and identified hydrogen bonding and electrostatic interactions as key determinants of sustained yet reversible phage retention. Collectively, our findings suggest that the hydrogels enriched with charged and polar functional groups can facilitate stable but non-destructive phage binding, enabling controlled and sustained release. This study provides mechanistic insights into rational hydrogel design for phage delivery systems and highlights the potential of high-throughput computational strategies to accelerate the development of optimized phage therapeutics. Full article
(This article belongs to the Section Polymer Networks and Gels)
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24 pages, 5998 KB  
Article
Multi-Omics and Functional Validation Identify a Quercetin-SLC15A2 Axis That Mediates the Anti-Fibrotic Effect of Shen-Kang Recipe in Diabetic Kidney Disease
by Anna Zuo, Shuyu Li, Jiarun Xie, Lishan Huang, Ziwei Li, Jingxin Lin, Xiaoshan Zhao and Ming Wang
Int. J. Mol. Sci. 2026, 27(7), 3291; https://doi.org/10.3390/ijms27073291 - 5 Apr 2026
Viewed by 468
Abstract
Diabetic kidney disease (DKD) is a leading cause of end-stage renal disease. The Shen-Kang Recipe (SKR) is a traditional Chinese medicine formula used clinically to slow DKD progression, but its bioactive constituents and molecular targets remain unclear. Solute carrier family 15 member 2 [...] Read more.
Diabetic kidney disease (DKD) is a leading cause of end-stage renal disease. The Shen-Kang Recipe (SKR) is a traditional Chinese medicine formula used clinically to slow DKD progression, but its bioactive constituents and molecular targets remain unclear. Solute carrier family 15 member 2 (SLC15A2/PEPT2), a high-affinity peptide transporter expressed in renal proximal tubules, has been implicated in kidney pathophysiology, yet its potential role in mediating the therapeutic effects of the SKR has not been explored. Here, we evaluated the effects of the SKR in db/db mice and found that SKR treatment significantly improved renal function, attenuated glomerulosclerosis, and reduced interstitial collagen deposition. Wide-target metabolomics and quantitative proteomics revealed that the SKR broadly reversed DKD-associated metabolic and proteomic disturbances, particularly in pathways related to energy and amino acid metabolism. Proteomic analysis identified SLC15A2 as a key proximal tubule protein downregulated in DKD and selectively restored by the SKR. UPLC-Q-TOF/MS-based serum pharmacochemistry and network pharmacology highlighted quercetin as a principal bioactive component of the SKR. Molecular docking, molecular dynamics simulations, and surface plasmon resonance (SPR) confirmed direct, high-affinity binding between quercetin and SLC15A2 (KD = 7.5 µM). In TGF-β1-stimulated HK-2 cells, quercetin suppressed epithelial-mesenchymal transition (EMT), as evidenced by restored E-cadherin and reduced N-cadherin, vimentin, and α-SMA expression; this effect was abrogated by siRNA-mediated SLC15A2 knockdown, demonstrating the functional necessity of this axis. Collectively, these findings identify a quercetin-SLC15A2 axis through which the SKR inhibits EMT and alleviates renal fibrosis in DKD, providing a mechanistic basis for its clinical application and nominating SLC15A2 as a potential therapeutic target. Full article
(This article belongs to the Collection 30th Anniversary of IJMS: Updates and Advances in Biochemistry)
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18 pages, 3226 KB  
Article
Preparation and Characterization of Dual-Stabilized Vanillin Complexes Based on Soy Protein Isolate Through pH-Shifting Strategy
by Xudong Wang, Kaiwen Wu, Yating Shen, Zhenglin Wu, Weijian Yuan, Weina Wu and Fengping Yi
Foods 2026, 15(7), 1240; https://doi.org/10.3390/foods15071240 - 5 Apr 2026
Viewed by 341
Abstract
Vanillin is widely used in foods, but its poor water dispersibility and limited stability reduce its flavor performance during processing and storage. In this study, soy protein isolate (SPI) was used as a food-grade carrier to prepare soy protein isolate–vanillin (SPIV) complexes via [...] Read more.
Vanillin is widely used in foods, but its poor water dispersibility and limited stability reduce its flavor performance during processing and storage. In this study, soy protein isolate (SPI) was used as a food-grade carrier to prepare soy protein isolate–vanillin (SPIV) complexes via a pH-shifting strategy. SPI and vanillin were first adjusted to pH 9.0, where SPI unfolded and vanillin was deprotonated and dispersed in the solution and then readjusted to pH 7.0 to form SPIV complexes. Vanillin was incorporated into SPI at different loading levels of 0.5, 1.0, 2.5, and 5.0 mg/mL, corresponding to 9–50 wt.% relative to SPI. The binding efficiency of vanillin decreased from 91.03 wt.% to 69.43 wt.% with increasing vanillin loading. Moderate loading preserved the globular morphology of SPI, whereas excessive loading (≥33.33 wt.%) induced vanillin nanocrystal formation and aggregation. Spectroscopic analyses and molecular docking indicated that vanillin interacted with soy proteins through a combination of covalent and noncovalent interactions. Compared with free vanillin, SPIV showed improved color, light, and thermal stability. Among the tested samples, SPIV2 exhibited the most favorable interfacial behavior and application performance, producing more stable emulsions and higher flavor scores in simplified beverage and soy milk models. These findings establish a loading-dependent structure–function relationship in SPIV complexes and provide practical guidance for the design of soy protein-based carriers for flavor stabilization and delivery. Full article
(This article belongs to the Special Issue Micro and Nanomaterials in Sustainable Food Encapsulation)
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24 pages, 3049 KB  
Article
From Transcriptional Reprogramming to Fat Quality Improvement: Dietary Artemisia ordosica Krasch. Optimizes Fatty Acid Profile in Cashmere Goats
by Lianguang Jiang, Yanli Zhao, Qingyue Zhang, Shangxiong Zhang, Xiaoyu Guo, Yongmei Guo and Sumei Yan
Animals 2026, 16(7), 1097; https://doi.org/10.3390/ani16071097 - 2 Apr 2026
Viewed by 405
Abstract
This experiment investigated the effects of dietary Artemisia ordosica Krasch. (AOK) supplementation on the n3-polyunsaturated fatty acid (n3-PUFA) profile of subcutaneous adipose tissue (SADT) in Arbas cashmere goats and explored the underlying transcriptional mechanisms. Forty healthy, weaned kids (120 ± 10 days of [...] Read more.
This experiment investigated the effects of dietary Artemisia ordosica Krasch. (AOK) supplementation on the n3-polyunsaturated fatty acid (n3-PUFA) profile of subcutaneous adipose tissue (SADT) in Arbas cashmere goats and explored the underlying transcriptional mechanisms. Forty healthy, weaned kids (120 ± 10 days of age; similar body weight) were randomly allocated to two groups (n = 20): a control group (CON, basal diet) and an AOK group (AOK, basal diet with 3% of the roughage replaced by AOK). The feeding trial spanned 104 days, consisting of a 14-day adaptation period and 90 days of data acquisition. Compared with the CON group, AOK significantly reduced the content of saturated fatty acids (SFAs) and n6-polyunsaturated fatty acids (n6-PUFAs)/n3-PUFAs (n6/n3). In contrast, the levels of n3-PUFAs in the SADT of cashmere goats increased markedly (p < 0.05). Compared with the CON group, AOK exhibited significantly higher activities of hormone-sensitive lipase (HSL) (p = 0.027), adenylyl cyclase 2 (ADCY2) (p = 0.010), adenylyl cyclase 5 (ADCY5) (p = 0.046), cluster of differentiation 36 (CD36) (p = 0.013), solute carrier family 27 member 4 (SLC27A4) (p = 0.021), and fatty acid binding protein 4 (FABP4) (p = 0.040), along with significantly lower activities of fatty acid synthase (FAS) (p = 0.002), lipoprotein lipase (LPL) (p = 0.048), and stearoyl-coa desaturase (SCD) (p = 0.026) in SADT. Compared with the CON group, the activities of superoxide dismutase (SOD) (p = 0.032), catalase (CAT) (p = 0.010), glutathione peroxidase (GSH-PX) (p = 0.029), and total antioxidant capacity (T-AOC) (p = 0.002) were significantly increased in the AOK group. Transcriptomic profiling revealed that AOK supplementation downregulated mRNA levels of ADCY2, ADCY5, LPL, FAS, SCD, stearoyl-CoA desaturase 1 (SCD1), stearoyl-CoA desaturase 2 (SCD2), glycogen synthase 1 (GYS1), acyl-CoA oxidase 1 (ACOX1), acetyl-CoA carboxylase (ACC), diacylglycerol acyltransferase 1 (DGAT1), fatty acid desaturase 1 (FADS1), solute carrier family 27 member 2 (SLC27A2), erythroblastic leukemia viral oncogene homolog 4 (ERBB4), and carnitine palmitoyltransferase 1B (CPT1B) (p < 0.05). It also markedly induced acyl-CoA synthetase long-chain family member 4 (ACSL4) (p < 0.01) in SADT. Genes significantly enriched in the adenosine-monophosphate-activated protein kinase (AMPK) signaling pathway included LPL, SCD1, CPT1B, and GYS1 (p = 0.010). Genes significantly enriched in the phosphatidylinositol 3-kinase-akt (PI3K-Akt) signaling pathway included GYS1 and ERBB4 (p = 0.015). CPT1B, ADCY2, and GYS1 were identified as the genes significantly enriched in the insulin resistance signaling pathway (p = 0.048). LPL was the only gene significantly enriched in the cholesterol metabolism pathway (p = 0.049). Genes showing a tendency toward significant enrichment in the peroxisome-proliferator-activated receptor (PPAR) signaling pathway included ACSL4, CPT1B, SCD1, and LPL (p = 0.051). These interconnected cascades improve insulin sensitivity, stimulate triglyceride (TG) hydrolysis, and modulate n3-PUFA levels. Supplementation with AOK enhances n3-PUFA content by accelerating TG breakdown while simultaneously restraining FA oxidation in SADT. Consequently, AOK supplementation can be effectively used to enhance the nutritional value of cashmere goat meat through improved n3-PUFA deposition in SADT. Full article
(This article belongs to the Section Small Ruminants)
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11 pages, 669 KB  
Article
Decoding Polyether–Cation Interactions: Computational Strategies for Agricultural Applications
by João Vitor de Jesus Damante, Enzo Ernani da Silva, Felipe Breda Alves, Bruno Andrade Fico, Renato Luis Tame Parreira, Eduardo Ferreira Molina and Renato Pereira Orenha
Polymers 2026, 18(7), 877; https://doi.org/10.3390/polym18070877 - 2 Apr 2026
Viewed by 329
Abstract
Zinc and iron are essential micronutrients in crop nutrition, and polymer-based nanogels have emerged as promising carriers to modulate their availability in sustainable agricultural systems. Here, a polymeric model receptor was designed to investigate how the nature and position of electron-donating (–NH2 [...] Read more.
Zinc and iron are essential micronutrients in crop nutrition, and polymer-based nanogels have emerged as promising carriers to modulate their availability in sustainable agricultural systems. Here, a polymeric model receptor was designed to investigate how the nature and position of electron-donating (–NH2) and electron-withdrawing (–NO2) substituents control the recognition of Zn2+ and Fe2+ cations. Using a combination of density functional theory calculations, energy decomposition analysis with natural orbitals for chemical valence (EDA–NOCV), electrostatic potential (ESP) mapping, and quantum theory of atoms in molecules (QTAIM) method, the receptor–cation interactions are dissected into electrostatic, Pauli repulsion, orbital, and dispersion contributions. The results show that complex stability is governed mainly by orbital and electrostatic terms, with Fe2+ forming the most stable complex (−393.57 kcal mol−1) with regard to a Zn2+ similar complex (−288.80 kcal mol−1). Zn2+ complexes exhibit a broad tunability with substituent pattern. Electron-donating groups systematically strengthen both electrostatic and orbital components, whereas nitro substituents display a pronounced positional effect, ranging from strong destabilization to significant stabilization of Zn2+ binding. These findings establish molecular-level guidelines for engineering polymeric nanogels with tunable affinity and selectivity toward micronutrient cations in agricultural applications. Full article
(This article belongs to the Special Issue Modeling of Polymer Composites and Nanocomposites (2nd Edition))
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32 pages, 2787 KB  
Review
Suramin Interactions Across Biological Systems: From Molecular Targets to Therapeutic Implications
by Alessia Catalano, Valeria Scaglione, Maria Noemi Sgobba, Lavinia Ferrone, Anna Lucia Francavilla, Maria Maddalena Cavalluzzi, Sabino Todisco, Lorenzo Guerra, Mariateresa Volpicella, Anna De Grassi, Giovanni Lentini and Ciro Leonardo Pierri
Biomolecules 2026, 16(4), 527; https://doi.org/10.3390/biom16040527 - 1 Apr 2026
Viewed by 488
Abstract
Suramin is a century-old polysulfonated naphthylurea that remains a first-line treatment for early-stage human African trypanosomiasis (HAT). Remarkably, despite its age, suramin continues to draw attention because of its unusually broad spectrum of biological activities. Historically known as an antagonist of purinergic (P2) [...] Read more.
Suramin is a century-old polysulfonated naphthylurea that remains a first-line treatment for early-stage human African trypanosomiasis (HAT). Remarkably, despite its age, suramin continues to draw attention because of its unusually broad spectrum of biological activities. Historically known as an antagonist of purinergic (P2) receptors and an inhibitor of extracellular enzymes, suramin has more recently been shown to interact with a range of intracellular and mitochondrial proteins. These include succinate dehydrogenase, the ADP/ATP carrier (AAC), the aspartate/glutamate carriers AGC1 and AGC2, carnitine O-acetyltransferase (CRAT), and the ATP-Mg/Pi carrier (APC2). Across these targets, suramin displays sub-micromolar to low-micromolar potencies, largely driven by electrostatic complementarity between its highly anionic sulfonate groups and basic nucleotide- or anion-binding regions of proteins. This extensive polypharmacology helps explain the diverse biological effects reported for suramin and supports its use as a valuable pharmacological probe of mitochondrial transport and metabolism. At the same time, its largeness and high negative charge limit oral bioavailability and brain penetration, prompting efforts to develop simplified analogues. This review brings together chemical, biological, and structural perspectives on suramin, highlighting opportunities for drug repurposing, transporter-focused drug design, and a better understanding of mitochondrial toxicity. Full article
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20 pages, 4793 KB  
Article
Effect of Phenolic Hydroxyl Group Number on Regulation of the Self-Assembly Behavior of Edible Dock Protein and Catechins
by Hao Ma, Shandan Zhao, Chenchen Wang, Yajun Lin and Kang Liu
Foods 2026, 15(5), 932; https://doi.org/10.3390/foods15050932 - 6 Mar 2026
Viewed by 316
Abstract
To investigate the effect of phenolic hydroxyl group number on the interaction between catechins and a plant-derived protein carrier, four catechins with varying hydroxyl numbers—epicatechin (EC), epicatechin gallate (ECG), epigallocatechin (EGC), and epigallocatechin gallate (EGCG)—were investigated. The new plant-derived edible dock protein (EDP) [...] Read more.
To investigate the effect of phenolic hydroxyl group number on the interaction between catechins and a plant-derived protein carrier, four catechins with varying hydroxyl numbers—epicatechin (EC), epicatechin gallate (ECG), epigallocatechin (EGC), and epigallocatechin gallate (EGCG)—were investigated. The new plant-derived edible dock protein (EDP) was selected as a carrier matrix. EDP, when employed as a protein delivery carrier, possessed a hydrophobic amino acid content of 45%. This structural feature enabled it to provide more hydrophobic cavities for small molecule compounds, thereby facilitating better binding with them. The results indicated that the order of loading capacity of catechins within EDP was EGCG (9.7%) > ECG (9.1%) > EGC (8.8%) > EC (7.1%). This sequence was consistent with the number of hydroxyl groups in catechin: EGCG (8) > ECG (7) > EGC (6) > EC (5). Among the four catechins, EGCG had the highest binding constant (Ka = 2.6 × 103 L/mol), leading to the largest quenching of EDP. During self-assembly, hydrogen bonding, hydrophobic and electrostatic interactions were the main driving forces, and the interaction between EGCG and EDP was the strongest. This study indicated that the hydroxyl group number of polyphenolic compounds can determine its binding affinity with proteins. Full article
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14 pages, 2681 KB  
Article
Interaction of Soluble and Insoluble Dietary Fibers with Syringic Acid: Adsorption, Kinetics and Antioxidant Activity
by Petra Matić, Vanessa Sačić and Lidija Jakobek
AppliedChem 2026, 6(1), 14; https://doi.org/10.3390/appliedchem6010014 - 1 Mar 2026
Viewed by 445
Abstract
The positive effects of phenolic compounds in the gastrointestinal tract are influenced by dietary fibers. The aim of this work was to study the interactions between syringic acid and soluble and insoluble dietary fibers from the β-glucan group, including laminarin from Laminaria digitata [...] Read more.
The positive effects of phenolic compounds in the gastrointestinal tract are influenced by dietary fibers. The aim of this work was to study the interactions between syringic acid and soluble and insoluble dietary fibers from the β-glucan group, including laminarin from Laminaria digitata, zymosan A from Saccharomyces cerevisiae and β-glucan from Euglena gracilis. Kinetic models of the pseudo-first and pseudo-second order were applied to describe the interactions in time. The stability of the complexes between syringic acid and dietary fibers was monitored at different times by the DPPH method. The water holding capacity, water swelling capacity and water solubility of dietary fibers were determined. FTIR spectra were recorded to characterize the possible binding of syringic acid and dietary fibers. The results showed that syringic acid adsorbed onto dietary fibers with different adsorption capacities. The highest adsorption capacity was observed for zymosan A (431 mg g−1), followed by laminarin (382 mg g−1) and β-glucan from Euglena gracilis (336 mg g−1). The parameters of the kinetic models showed good agreement with the experimental data. The highest antiradical activity was found for the complex of syringic acid—β-glucan from Euglena gracilis. The FTIR spectrum confirmed the bonding of syringic acid onto dietary fibers. The interactions of polyphenols and dietary fibers are important to understand the role of dietary fibers as carriers of polyphenols. Full article
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15 pages, 1405 KB  
Article
[161Tb]Tb-BPAMD as a High-Affinity Agent for Skeletal Targeting: Radiochemical and Biodistribution Insights
by Magdalena Radović, Pavle Sitarica, Dragana Stanković, Marija Mirković, Drina Janković, Miloš Marić, Marko Perić, Sanja Vranješ-Đurić and Aleksandar Vukadinović
Pharmaceutics 2026, 18(3), 312; https://doi.org/10.3390/pharmaceutics18030312 - 28 Feb 2026
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Abstract
Background: Bone-seeking radiopharmaceuticals based on bisphosphonates enable targeted therapy of skeletal metastases. They are suitable carriers for therapeutic radionuclides such as terbium-161 (161Tb), a β emitter that additionally releases short-range conversion and Auger electrons, which may enhance radiation dose [...] Read more.
Background: Bone-seeking radiopharmaceuticals based on bisphosphonates enable targeted therapy of skeletal metastases. They are suitable carriers for therapeutic radionuclides such as terbium-161 (161Tb), a β emitter that additionally releases short-range conversion and Auger electrons, which may enhance radiation dose delivery to small lesions. This study explored the potential of the well-established DOTA conjugated bisphosphonate BPAMD (4-{[(bis(phosphonomethyl))carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10 tetraazacyclododec-1-yl)acetic acid) radiolabeled with 161Tb as a bone-targeted radiopharmaceutical, focusing on the theranostic and radiophysical advantages conferred by the radionuclide. Methods: BPAMD was radiolabeled with 161Tb and 177Lu under mild conditions (pH 4.5, 95 °C, 30 min); subsequently, the radiochemical purity was assessed by radio-TLC. Physicochemical properties (charge, lipophilicity, protein binding), in vitro stability (saline and human serum, 48 h), and hydroxyapatite (HAP) binding were evaluated for [161Tb]Tb-BPAMD. Biodistribution was investigated in healthy Wistar rats (n = 3 per time point) at 2 h, 24 h, and 7 days post-injection. Computational density functional theory (DFT) analyses were performed to explore the coordination chemistry of Tb3+ and Lu3+ with BPAMD. Results: Both complexes achieved a radiochemical yield of greater than 98%. [161Tb]Tb-BPAMD exhibited negative charge, high hydrophilicity (logP = −3.92 ± 0.13), low protein binding (19.07 ± 1.01%), excellent radiochemical stability under simulated physiological conditions (>97% at 48 h), and strong hydroxyapatite affinity (>98% with ≥10 mg HAP). Biodistribution showed high, stable bone uptake (8.06% ID/g at 2 h; 6.70% ID/g at 24 h; 5.31% ID/g at 7 d) with rapid blood clearance (<0.001% ID/g at 24 h) and low non-target retention. To contextualize its performance, [161Tb]Tb-BPAMD was compared with [177Lu]Lu-BPAMD, which demonstrated similarly strong skeletal retention (8.74% ID/g at 2 h; 8.08% ID/g at 24 h; 5.25% ID/g at 7 d) but comparatively higher non-target organ uptake. DFT calculations indicate that both Tb3+ and Lu3+ favor octa-coordinated BPAMD complexes. Conclusions: [161Tb]Tb-BPAMD exhibits excellent radiochemical and pharmacokinetic properties, with enhanced biodistribution selectivity over [177Lu]Lu-BPAMD. Combined with the radiobiological advantages of 161Tb, it represents a promising theranostic candidate for targeted therapy of bone metastases. Full article
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Article
A Sociolinguistic Analysis of Namesaking and Inheritance Amongst the Anaañ People of Southeastern Nigeria
by Idongesit Imohowo Eyakndue and Arnold Benjamin Udoka
Genealogy 2026, 10(1), 31; https://doi.org/10.3390/genealogy10010031 - 28 Feb 2026
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Abstract
Among the Anaañ people in Akwa Ibom State, Southeastern Nigeria, the practice of naming serves as a central mechanism for communicating personal identity, recollecting memory and preserving social hierarchy across generations. The act of naming a child after a revered ancestor or existing [...] Read more.
Among the Anaañ people in Akwa Ibom State, Southeastern Nigeria, the practice of naming serves as a central mechanism for communicating personal identity, recollecting memory and preserving social hierarchy across generations. The act of naming a child after a revered ancestor or existing relative is a form of moral inheritance that binds the name bearer to certain virtues, histories, and expected cultural nuance associated with the namesake. This article investigates the social functions of namesaking and in its role in family inheritance amongst the Anaañ people. This study examines the rituals, ceremonies, and narratives associated with namesaking, and further analyses the intergenerational authority and social status embedded in the practice. The analysis is rooted in social memory theory by Halbwachs (1992), which views names as memory carriers that connect individuals to their nativity and ancestors. Drawing from ethnographic research design, using participant observation and semi-structured interviews with 30 participants who were purposively sampled, the analysis reveals that namesaking and inheritance are interwoven cultural processes that promote social identity, reproduce lineage hierarchies, and individuate the bearer within the social universe of the community. This study concludes that in the Anaañ society namesaking is a symbol of continuity, with specific social expectations, moral obligations and traditional roles tied to the original name-holder. Full article
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