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20 pages, 5328 KB  
Article
Cerium-Based Metal–Organic Frameworks (MOFs) for Catalytic Hydroxylation of Organic Molecules
by Muath Alharbi, Mostafa E. Salem and Hani Nasser Abdelhamid
Catalysts 2026, 16(3), 271; https://doi.org/10.3390/catal16030271 (registering DOI) - 17 Mar 2026
Abstract
Three cerium-based metal–organic frameworks (MOFs), Ce-BDC, Ce-BDC-NH2, and Ce-BTC, were used as catalysts for the hydroxylation of several organic compounds, including those not relevant to environmental or biological systems. Structural characteristics were validated by FT-IR spectroscopy, while SEM imaging demonstrated rod-like [...] Read more.
Three cerium-based metal–organic frameworks (MOFs), Ce-BDC, Ce-BDC-NH2, and Ce-BTC, were used as catalysts for the hydroxylation of several organic compounds, including those not relevant to environmental or biological systems. Structural characteristics were validated by FT-IR spectroscopy, while SEM imaging demonstrated rod-like morphologies of 100–200 nm in width for Ce-BDC-NH2 and 50–100 nm for Ce-BTC. The optical properties, ascertained using diffuse reflectance spectra and Tauc analysis, revealed bandgaps of 3.0 eV, 2.9 eV, and 3.6 eV for Ce-BDC, Ce-BDC-NH2, and Ce-BTC, respectively. Catalytic investigations revealed that Ce-MOFs effectively convert phenol into 1,4-dihydroxybenzene with an efficiency of 86–99%, as confirmed by UV–Vis spectroscopy and HPLC analysis using an authentic hydroquinone (1,4-dihydroxybenzene) standard. The Ce-MOFs efficiently oxidize the dyes methylene blue (MB) and Congo red (CR) and also promote the hydroxylation of L-tyrosine, indicating their relevance to biologically significant substrates. The high catalytic performance of Ce-MOF highlights the potential of Ce-based materials for environmental remediation, chemical transformation, and sustainable wastewater treatment. Full article
(This article belongs to the Section Catalytic Materials)
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16 pages, 1311 KB  
Review
Bioactive Nutritional Macromolecules Supporting Hair Structure, Density, and Growth: A Comprehensive Review
by Johannes-Paul Fladerer-Grollitsch and Selina Fladerer-Grollitsch
Cosmetics 2026, 13(2), 72; https://doi.org/10.3390/cosmetics13020072 (registering DOI) - 17 Mar 2026
Abstract
Hair loss affects over half of adults by age 70 and represents a major determinant of overall hair health, imposing significant psychosocial burden across genders. Nutritional factors play a critical role in follicle biology, yet targeted strategies remain underexplored. This comprehensive review examines [...] Read more.
Hair loss affects over half of adults by age 70 and represents a major determinant of overall hair health, imposing significant psychosocial burden across genders. Nutritional factors play a critical role in follicle biology, yet targeted strategies remain underexplored. This comprehensive review examines five key hair-constituent macromolecules—type I collagen, elastin, keratin, ceramides, and melanin—and their physiological and clinical impacts on hair structure, density, shining, and growth. We conducted a structured literature search in PubMed and Google Scholar through January 2025, selecting in vitro studies, animal experiments, and human clinical trials that evaluated each macromolecule’s effects on follicular function and hair fiber integrity. Type I collagen enhances dermal papilla cell proliferation, upregulates Wnt/β-catenin and growth factors, and improves hair thickness and breakage resistance in randomized controlled trials. Keratin hydrolysates replenish cortical protein, reinforce disulfide cross-links, and reduce telogen shedding, with clinical studies demonstrating 30–50% decreases in hair loss and gains in tensile strength. Oral ceramide formulations restore the cuticular lipid barrier, shift follicles toward anagen, and increase hair density in double-blind trials. Although direct clinical data on melanin supplementation are lacking, ex vivo and animal models confirm its role as a UV-protective pigment, preserving keratin integrity and color fastness. Together, these macromolecules constitute a coherent framework for hair health, and clinical studies increasingly provide evidence that their combined or parallel application can meaningfully enhance hair density, strength, shine, and resilience. Full article
(This article belongs to the Section Cosmetic Formulations)
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1282 KB  
Proceeding Paper
Study of the Removal of Organic Pollutants from Aqueous Solutions Using Organic Hydrogels and Biochars
by Paraskevi Souliou, Eleni Grilla, Alexandra A. Ioannidi and Vlasoula Bekiari
Environ. Earth Sci. Proc. 2026, 40(1), 9; https://doi.org/10.3390/eesp2026040009 (registering DOI) - 16 Mar 2026
Abstract
Aquifers are increasingly threatened by the uncontrolled release of non-biodegradable chemicals derived from anthropogenic activities. The development of new remediation strategies has therefore focused on the use of sustainable adsorbent materials, including synthetic organic hydrogels and biochars produced from agricultural residues. In this [...] Read more.
Aquifers are increasingly threatened by the uncontrolled release of non-biodegradable chemicals derived from anthropogenic activities. The development of new remediation strategies has therefore focused on the use of sustainable adsorbent materials, including synthetic organic hydrogels and biochars produced from agricultural residues. In this study, the removal of two organic pollutants, the herbicide Metribuzin (MEB) and Propyl Paraben (PrP), from aqueous environments was investigated using negatively charged hydrogels and biochars derived from lime peel, respectively. Propyl Paraben (PrP) and Metribuzin (MEB) are among the pollutants frequently found in aquatic environments, and the effective and sustainable removal approaches remain under investigation. The hydrogels studied (P(DMAM co-ANax)) were based on sodium methacrylate (ANa) copolymerized with N,N-dimethylacrylamide (DMAM). The adsorption performance of the materials was evaluated through UV-Visible absorption spectrophotometry and High-Performance Liquid Chromatography (HPLC). The results of this study showed that the hydrogel achieved a very high removal efficiency for MEB, which was over 80% for the concentration range studied (max Qe = 0.386 mg/g). Similar behavior was also recorded for the biochar from lime peel, which achieved almost complete removal of PrP (~100%) at the lowest concentrations of the contaminant (5 mg/L) and maintained high removal rates (78%) at 10 mg/L (max Qe = 0.187 mg/g). These results demonstrate the potential of both types of materials to efficiently remove the studied contaminants from water, indicating their suitability for environmental remediation applications. This work contributes to the development of cost-effective and eco-friendly adsorbents for the treatment of water pollution caused by emerging organic compounds. Full article
(This article belongs to the Proceedings of The 9th International Electronic Conference on Water Sciences)
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14 pages, 2274 KB  
Article
Ruthenium Materials: Synthesis, Characterization, Optical, Antioxidant, and Anticancer Applications
by Sampath Krishnan, Anusha Karunakaran, Nagoor Meeran Mohamed Ibrahim, Sampath Gayathri, Jong Hun Han and Paulraj Arunkumar
Processes 2026, 14(6), 947; https://doi.org/10.3390/pr14060947 - 16 Mar 2026
Abstract
The technological promise of nonlinear optical (NLO) compounds has stimulated intense interest in optoelectronic devices, data storage, photonics, and anticancer therapy. Thiosemicarbazone ruthenium materials are of growing interest because of their tunable ligand framework and coordination sphere, allowing fine control over geometry, electronics, [...] Read more.
The technological promise of nonlinear optical (NLO) compounds has stimulated intense interest in optoelectronic devices, data storage, photonics, and anticancer therapy. Thiosemicarbazone ruthenium materials are of growing interest because of their tunable ligand framework and coordination sphere, allowing fine control over geometry, electronics, and functional properties. Here, we report an N-substituted salicylaldehyde thiosemicarbazone ligand and a series of octahedral Ru(III) complexes bearing triphenylphosphine or triphenylarsine and halide (Cl, Br) co-ligands. The complexes were characterized by elemental analysis, FT-IR, UV–Vis, EPR, mass spectrometry, and magnetic susceptibility measurements, which together confirm NS-chelation to a low-spin Ru(III) center in a distorted octahedral environment. Their photophysical and NLO responses were assessed by UV–Vis spectroscopy and powder second-harmonic generation measurements (Kurtz–Perry method), revealing promising NLO behavior. In parallel, antioxidant activity and in vitro anticancer effects against HeLa cells were evaluated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) cytotoxicity assays. These results provide insight into ligand-controlled structure–activity relationships, in which the halide (Cl/Br) and ancillary triarylphosphine co-ligands regulate electronic interactions and lipophilicity and ultimately increase biological performance, underscoring the dual materials and medicinal potential of these Ru(III) complexes. Full article
(This article belongs to the Section Materials Processes)
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14 pages, 3359 KB  
Article
Synthesis and Luminescent Properties of Eu3+-Doped Complex Borosilicate Glasses
by Aneliya Yordanova, Margarita Milanova, Lyubomir Aleksandrov, Reni Iordanova and Petia Petrova
Molecules 2026, 31(6), 1000; https://doi.org/10.3390/molecules31061000 - 16 Mar 2026
Abstract
Glasses with compositions (52.5 − x/2)B2O3:(12.5 − x/2)SiO2:25La2O3:5ZnO:5CaO:0.5Eu2O3:xWO3, x = 0, 2.5, 5, 7.5, 10, 20 (mol%) were prepared by conventional melt-quenching method and investigated by X-ray [...] Read more.
Glasses with compositions (52.5 − x/2)B2O3:(12.5 − x/2)SiO2:25La2O3:5ZnO:5CaO:0.5Eu2O3:xWO3, x = 0, 2.5, 5, 7.5, 10, 20 (mol%) were prepared by conventional melt-quenching method and investigated by X-ray diffraction analysis, DSC analysis, DR-UV-Vis spectroscopy and photoluminescence spectroscopy. Physical parameters like density, molar volume, oxygen molar volume and oxygen packing density were also determined. Their values, as well as DR-UV-Vis spectroscopy results, indicate that the tungstate ions incorporate into the base borosilicate glass as tetrahedral WO4 and octahedral WO6 groups. With increasing WO3 content over 5 mol%, WO6 units are progressively linked to each other by W-O-W bonds, leading to the formation of a more connected and homogeneous glass network. Glasses are characterized by a high glass transition temperature (over 650 °C) and good thermal stability. The emission intensity of the Eu3+ ion increases with the introduction of WO3 due to the occurrence of non-radiative energy transfer from the tungstate groups to the active ion. The most intense luminescence peak observed at 612 nm suggests that the glasses are potential materials for red emission. Full article
20 pages, 4388 KB  
Article
Development and Validation of SEC-UV/HRMS Procedure for Simultaneous Determination of BSA and Its Association Products
by Blaž Hodnik, Žiga Čamič and Matevž Pompe
Molecules 2026, 31(6), 1001; https://doi.org/10.3390/molecules31061001 - 16 Mar 2026
Abstract
Monitoring peptide and protein self-association is essential for understanding biological function, formulation stability, and aggregation mechanisms. While size-exclusion chromatography (SEC) is routinely used to quantify protein-size variants under native conditions, its hyphenation to high-resolution mass spectrometry (HRMS) for simultaneous structural characterization remains limited. [...] Read more.
Monitoring peptide and protein self-association is essential for understanding biological function, formulation stability, and aggregation mechanisms. While size-exclusion chromatography (SEC) is routinely used to quantify protein-size variants under native conditions, its hyphenation to high-resolution mass spectrometry (HRMS) for simultaneous structural characterization remains limited. Here, we report the development and validation of a robust SEC-UV/HRMS method optimized for native-like analysis of bovine serum albumin (BSA) monomers and higher-order oligomers using standard-flow electrospray ionization. Systematic evaluation of source parameters, mobile-phase composition, and chromatographic conditions enabled retention of native BSA structure, minimized in-source unfolding, and enhanced MS sensitivity, allowing detection of oligomers up to the heptamer. A short, narrow-bore 200 Å UHPLC SEC separation column was used. Low-flow separations (~0.05 mL/min) enabled efficient ionization and 10 min run times. An accelerated 60 °C stress-testing protocol demonstrated that SEC-MS can semi-quantitatively monitor oligomerization dynamics, complementing UV-based quantification and revealing transient species not resolved by UV alone. The method showed acceptable linearity, precision, and sample stability, and comparison with SEC-RALS/LALS confirmed molecular-weight trends across aggregation states. Overall, the developed SEC-UV/HRMS workflow provides a rapid, sensitive, and widely accessible approach for UV-based quantification of monomer- and HRMS-based characterizing protein aggregation in research and quality control in pharmaceutical laboratories. Full article
(This article belongs to the Special Issue Applied Chemistry in Europe, 2nd Edition)
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22 pages, 2406 KB  
Article
Synergistic Effects of Hydroxyapatite Derived from Fish Bone and Tinosorb® S on the UV Protection Performance of Sunscreen
by Pornsatit Sookchoo, Soottawat Benjakul, Thummanoon Prodpran, Thanaporn Amnuaikit and Supranee Lao-ubol
Cosmetics 2026, 13(2), 71; https://doi.org/10.3390/cosmetics13020071 - 16 Mar 2026
Abstract
Sunscreens are essential for photoprotection, but conventional inorganic UV filters raise concerns regarding marine toxicity. This study investigated hydroxyapatite (HAp) derived from skipjack, tongol, and salmon bone waste as a potential synergistic booster for Tinosorb® S (TS). HAp powders were prepared via [...] Read more.
Sunscreens are essential for photoprotection, but conventional inorganic UV filters raise concerns regarding marine toxicity. This study investigated hydroxyapatite (HAp) derived from skipjack, tongol, and salmon bone waste as a potential synergistic booster for Tinosorb® S (TS). HAp powders were prepared via alkaline treatment and calcination at 900 °C. XRD and XRF results confirmed highly crystalline HAp as the dominant phase. While 10% HAp alone provided negligible UV protection, a pronounced synergistic effect was observed in 1:1 hybrid formulations (5% HAp:5% TS), significantly enhancing Sun Protection Factor (SPF) and Ultraviolet A Protection Factor (UVAPF). Notably, particle-size refinement of salmon-derived HAp (SM–HAp) yielded an SPF of approximately 35, comparable to a commercial HAp counterpart. This improvement was suggested to be associated with enhanced dispersion, film uniformity, and particle–matrix interactions, which might contribute to achieving PA++++ protection. All formulations complied with microbiological and heavy metal safety standards. These results indicated that fish bone-derived HAp could potentially serve as a viable and sustainable functional additive derived from marine biowaste for the development of high-performance hybrid sunscreens, promoting biomaterial valorization in the cosmetic industry. Full article
(This article belongs to the Special Issue Sunscreen Advances and Photoprotection Strategies in Cosmetics)
16 pages, 4058 KB  
Article
UV Exposure Effects on Starch Films from an Ecuadorian Potato (Solanum tuberosum, Chola Variety): A Macro- and Nanoscale Investigation
by Cynthia Pico, Pablo Ilvis and Santiago Casado
Polymers 2026, 18(6), 720; https://doi.org/10.3390/polym18060720 - 16 Mar 2026
Abstract
The growing pollution caused by plastics with slow degradation kinetics is demanding the search for biodegradable alternatives. Starch-based films are a promising option, but their practical application may be limited by their potential susceptibility to rapid ultraviolet (UV) exposure degradation. This study evaluates [...] Read more.
The growing pollution caused by plastics with slow degradation kinetics is demanding the search for biodegradable alternatives. Starch-based films are a promising option, but their practical application may be limited by their potential susceptibility to rapid ultraviolet (UV) exposure degradation. This study evaluates the effect of prolonged UV-C irradiation (254 nm, 168 h) on plasticizer-free films derived from the starch of an Ecuadorian potato Solanum tuberosum (Chola variety). Films formulated at 3% and 5% (w/v) starch were characterized before and after UV exposure. The analysis includes the evaluation of optical, mechanical, and physicochemical properties, along with Fourier Transform Infrared spectroscopy (FTIR) and atomic force microscopy (AFM) for nanoscale surface inspection. UV irradiation increased the opacity of the films but reduced slightly their tensile strength, elongation at break, moisture content, and total soluble matter. In contrast, the elastic modulus remained relatively high. FTIR analysis revealed no significant formation of new functional groups. AFM measurements indicated that irradiation caused only minor nanoscale alterations in the same film regions. These alterations were more pronounced in films with higher starch concentrations. The results demonstrate that UV-C exposure induces minor structural adjustments in plasticizer-free starch films derived from the Chola variety, without compromising their fundamental integrity. Consequently, this work advances the understanding of the environmental stability of these films and supports their potential application as sustainable materials, even in conditions involving UV exposure. Full article
(This article belongs to the Section Polymer Membranes and Films)
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22 pages, 5215 KB  
Article
Salidroside Selectively Binds to SEC23A and Ameliorates Psychological Stress-Induced Hyperpigmentation
by Man Yang, Xiaoyu Sun, Da Wang, Huizhong Nie, Kang Cheng, Jie Gu, Lu Chen, Yuxuan Zhang, Lingli Yang, Ichiro Katayama, Yiming Li and Huali Wu
Pharmaceuticals 2026, 19(3), 487; https://doi.org/10.3390/ph19030487 - 16 Mar 2026
Abstract
Background/Objectives: Psychological stress triggers excessive melanin deposition via neuroendocrine pathways, yet targeted interventions for stress-induced hyperpigmentation remain limited. Salidroside (SAL) exhibits established depigmenting effects in UV-induced models and possesses neuroprotective properties. This study investigated SAL’s efficacy in psychological stress-induced hyperpigmentation and elucidated its [...] Read more.
Background/Objectives: Psychological stress triggers excessive melanin deposition via neuroendocrine pathways, yet targeted interventions for stress-induced hyperpigmentation remain limited. Salidroside (SAL) exhibits established depigmenting effects in UV-induced models and possesses neuroprotective properties. This study investigated SAL’s efficacy in psychological stress-induced hyperpigmentation and elucidated its underlying mechanisms. Methods: B16F10 melanocytes, C57BL/6J mice, zebrafish, and human foreskin organ cultures were subjected to stress factor (Substance P/cortisol) or α-MSH/IBMX stimulation to model psychological stress-induced and canonical cAMP-driven hyperpigmentation, respectively. Melanin content, tyrosinase activity, melanosome maturation (transmission electron microscopy/HMB45 staining), and melanogenic protein/mRNA expression were assessed. Drug Affinity Responsive Target Stability (DARTS) assays, molecular docking, and SEC23A siRNA knockdown were employed to identify and validate SAL’s molecular target and downstream signaling pathways. Results: SAL dose-dependently reduced melanin content, tyrosinase activity, and TYR/TRP-1/DCT expression in SP/Cort-stimulated melanocytes, exhibiting greater potency (200 μM) than in IBMX-induced models (400 μM). SAL reversed SP/Cort-induced hyperpigmentation in human skin explants, zebrafish, and C57BL/6J mice, and normalized melanosome number/maturation. DARTS and molecular docking identified SEC23A as a direct SAL-binding target. SP/Cort specifically upregulated SEC23A, which SAL suppressed. SAL concurrently activated the SEC23A-p-ERK-MITF axis and inhibited the NK1R-p38-MITF axis in the stress model. SEC23A knockdown potentiated SAL’s anti-melanogenic effects specifically in SP/Cort-stimulated cells. Conversely, in IBMX-induced models, SEC23A remained unchanged, and SAL acted via PKA/CREB, PI3K/AKT, and Wnt/β-catenin pathways. Conclusions: SEC23A is a novel core target in psychological stress-induced hyperpigmentation. SAL selectively binds SEC23A to inhibit stress-induced melanogenesis via dual ERK and p38 MAPK signaling axes, demonstrating etiological specificity distinct from canonical cAMP pathway inhibition. Full article
(This article belongs to the Section Natural Products)
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19 pages, 4223 KB  
Article
Multifunctional PVA–CMC/ZnO–Au Nanocomposite Films with Enhanced UV Shielding, Thermal Stability, and Antibacterial Performance
by Essam M. Abdel-Fattah, Ahmed M. Elnemr, Wafaa B. Elsharkawy and Tarek Fahmy
Polymers 2026, 18(6), 718; https://doi.org/10.3390/polym18060718 - 16 Mar 2026
Abstract
Polyvinyl alcohol/carboxymethyl cellulose (PVA/CMC) blend nanocomposites reinforced with plasma-assisted synthesized zinc oxide–gold (ZnO–Au) nanoparticles were prepared via casting at varying nanoparticle concentrations. Structural and interfacial modifications were analyzed using XRD, FTIR, Raman spectroscopy, and XPS. XRD analysis confirmed the nanocomposite crystallinity, showing an [...] Read more.
Polyvinyl alcohol/carboxymethyl cellulose (PVA/CMC) blend nanocomposites reinforced with plasma-assisted synthesized zinc oxide–gold (ZnO–Au) nanoparticles were prepared via casting at varying nanoparticle concentrations. Structural and interfacial modifications were analyzed using XRD, FTIR, Raman spectroscopy, and XPS. XRD analysis confirmed the nanocomposite crystallinity, showing an average crystallite size of 24.48 nm and a lattice strain of 4.32 × 10−3 for the 0.15 wt% ZnO–Au composite. FTIR and Raman spectra revealed band shifts and broadening, indicating strong interactions between ZnO–AuNPs and the polymer matrix. XPS analysis further verified Zn and Au incorporation and changes in C 1s and O 1s intensities, reflecting modified surface chemistry. Optical analysis revealed a reduction in the band gap from 4.60 eV (pure PVA/CMC) to 3.52 eV for the 0.15 wt% ZnO–Au nanocomposite, accompanied by an increase in refractive index from 2.058 to 2.244, along with enhanced UV-shielding the performance due to reduced UV transmittance and increased film opacity. Thermogravimetric analysis demonstrated enhanced thermal stability, while antibacterial tests against E. coli and S. aureus confirmed strong antimicrobial activity. These findings demonstrate that PVA/CMC/ZnO–Au nanocomposites are a promising candidate for antibacterial, UV-blocking, food packaging, and optoelectronic applications. Full article
(This article belongs to the Special Issue Bio-Based Polymeric Materials for Biomedical Applications)
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37 pages, 4652 KB  
Article
Synthesis, Characterization, and Bioactivity of a Dioxime-Based Copper(II) Complex: SOD/Catalase Mimicry, DNA/HSA Binding, and In Silico Evaluation for Cuproptosis-Mediated Anticancer Activity
by Mortaga M. Abou-Krisha, Abd El-Motaleb M. Ramadan, Heba A. Sahyon and Ahmed M. Fathy
Inorganics 2026, 14(3), 84; https://doi.org/10.3390/inorganics14030084 - 16 Mar 2026
Abstract
Cisplatin’s chemotherapy is hindered by drug resistance and toxicity, making copper complexes a potential alternative. A novel copper(II) complex, [CuLBr], was synthesized from a tetradentate vicinal dioxime ligand (H2L) and characterized. [CuLBr] features a distorted square pyramidal geometry with a CuN [...] Read more.
Cisplatin’s chemotherapy is hindered by drug resistance and toxicity, making copper complexes a potential alternative. A novel copper(II) complex, [CuLBr], was synthesized from a tetradentate vicinal dioxime ligand (H2L) and characterized. [CuLBr] features a distorted square pyramidal geometry with a CuN4Br chromophore. DFT calculations showed a narrowed HOMO-LUMO gap and increased electrophilicity, enhancing its chemical reactivity. [CuLBr] exhibited potent biomimetic catalytic activity, functioning as an efficient superoxide dismutase mimic and catalase mimic. Biophysical studies (UV-Vis, fluorescence, and viscosity) demonstrated a strong, spontaneous affinity of [CuLBr] for calf thymus DNA and Human Serum Albumin, suggesting groove-binding and static quenching mechanisms. In vitro assays revealed superior anticancer activity against HepG-2, HCT-116, and MDA-MB-231 cell lines, with greater selectivity than the free ligand and doxorubicin. Molecular docking studies reveal a high binding affinity of [CuLBr] with key proteins, including ferredoxin-1 and VEGF. This may suggest potential dual mechanisms of action, involving the induction of cuproptosis and the inhibition of tumor angiogenesis. These findings position [CuLBr] as an effective multi-metal-based anticancer agent with advantageous selectivity. Full article
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14 pages, 3063 KB  
Article
Assessment of a Digital Coagulation Management Tool to Support Sustainable Drinking Water Treatment in Regional Operations
by Zhining Shi, Jing Gao, Christopher W. K. Chow, Michael Holmes and Bala Vigneswaran
Sustainability 2026, 18(6), 2891; https://doi.org/10.3390/su18062891 - 16 Mar 2026
Abstract
Chemical coagulation is a highly important step of the conventional treatment processes, determination of the optimum coagulant dose to meet the demand of particulate materials and natural organic matters (NOMs) in raw water is crucial for good drinking water quality. WTC-Coag is a [...] Read more.
Chemical coagulation is a highly important step of the conventional treatment processes, determination of the optimum coagulant dose to meet the demand of particulate materials and natural organic matters (NOMs) in raw water is crucial for good drinking water quality. WTC-Coag is a universal non-site-specific coagulant prediction model using three raw water quality parameters, UV254, colour, and turbidity, as model inputs. The empirical model can determine the dose for maximum dissolved organic carbon (DOC) removal to achieve the conditions of enhanced coagulation; it also features an operator-selectable input—% setpoint (as % DOC removal)—to establish a dose for the desirable treated water quality. This hybrid modelling and control approach in practice is extremely useful for operators to be able to optimise the process by balancing between water quality and use of resources (chemical and sludge disposal costs) for sustainable operation. This paper discusses the practicality of this hybrid modelling approach via a long-term evaluation by comparing the plant dose against predicted dose using five years historical operations and water quality data. The assessment covered raw water quality change against treatment performance, predictability, usability and operator behaviour in response to the dose change situation. During the study period, five “black water” events were captured, and the performance of the predictability due to operational changes and operator’s response in these extreme events have been analysed. The comparison between the predicted enhanced dose and the plant dose indicated enhanced coagulation would not be always required. Furthermore, the selection of 50% setpoint from the targeted dose option matched well with the plant dose during which the lower-dose situation would be sufficient, with 90% of the predicted doses within ±10 mg/L of the plant dose and 95% of the predicted doses within ±15 mg/L of the plant dose during the normal period. The use of a correction factor to compensate for the particulate demand due to powdered activated carbon (PAC) dose during “black water” events has shown to be effective. The 50% setpoint matches with the plant alum dose over the entire period after accounting for the PAC dose, with 70% of the predicted doses within ±10 mg/L and 80% within ±15 mg/L of the plant dose. All the coagulation-related prediction functions have been evaluated and confirmed their non-site-specific nature. This study is unique in terms of using real operations data for an extended period to evaluate this novel hybrid modelling concept towards the sustainability goal. Full article
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44 pages, 9806 KB  
Article
Agro-Industrial Biowaste Valorisation by Engineering Controlled-Release Polyphenol Products for Applications in Sustainable Agriculture
by Fabrizio De Cesare, Simone Serrecchia, Gabriella Di Carlo, Cristina Riccucci, Gianmarco Alfieri, Andrea Bellincontro, Sarai Agustin-Salazar, Gabriella Santagata, Paolo Papa and Antonella Macagnano
Polymers 2026, 18(6), 715; https://doi.org/10.3390/polym18060715 - 16 Mar 2026
Abstract
Electrospinning and electrospraying nanotechnologies were used to valorise agro-industrial residues into biohybrid controlled-release polyphenol (CRP) scaffolds. Four polyhydroxybutyrate ± polycaprolactone (PHB±PCL) architectures were fabricated that differed in polymer phase, Klason lignin from hazelnut shell (HS-KL) presence vs. absence, and co-location with grape-pomace polyphenols [...] Read more.
Electrospinning and electrospraying nanotechnologies were used to valorise agro-industrial residues into biohybrid controlled-release polyphenol (CRP) scaffolds. Four polyhydroxybutyrate ± polycaprolactone (PHB±PCL) architectures were fabricated that differed in polymer phase, Klason lignin from hazelnut shell (HS-KL) presence vs. absence, and co-location with grape-pomace polyphenols (GP-PPs), as well as in distribution between fibres and bead-like depots. Scaffolds were characterised using optical microscopy/stereomicroscopy/SEM, FTIR, UV–Vis spectroscopy, and dynamic water contact angle (absorption). GP-PP release was monitored for 14 days at ~25 °C and 37 °C, the latter representing shallow-soil hot-spell conditions in Mediterranean zones. All matrices exhibited multimodal release, with modest initial bursts and three phases (burst, mid, and late tail), analogous to controlled-release fertiliser profiles. At ~25 °C, the PHB/PCL matrix with HS-KL confined to PHB fibres and GP-PP in large PCL beads showed the highest total GP-PP release, whereas the architecture with HS-KL and GP-PP co-located in both PHB and PCL fibres and in PCL depots combined high total release with a smoother, well-metered late phase. At 37 °C, this HS-KL-GP-PP co-located scaffold was the most robust, retaining the highest total and late tail release. These results identify HS-KL-GP-PP co-located PHB/PCL architectures as promising carriers for temperature-resilient delivery of bioactive polyphenols in Mediterranean agrosystems. Full article
(This article belongs to the Special Issue Recyclable and Sustainable Polymers: Toward a Circular Economy)
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18 pages, 5539 KB  
Article
Oxidation Path and Protonation of [Fe2(CO)4(µ-edt){κ2-(R2PCH2)2NCH2Fc}] (R = Ph, Cy) Biomimetics of [FeFe]-hydrogenases Incorporating a Proton Relay and a Second Redox Center
by Georgia R. F. Orton, Martin Pižl, Sara Belazregue, Andrew J. Lake, Mark R. J. Elsegood, Jeremy K. Cockcroft, Martin B. Smith, František Hartl and Graeme Hogarth
Inorganics 2026, 14(3), 83; https://doi.org/10.3390/inorganics14030083 - 16 Mar 2026
Abstract
While many [FeFe]-hydrogenase biomimetics are effective proton-reduction catalysts, few are active for H2 oxidation, and examples containing both a pendant amine group, able to act as a proton relay, and a second redox center, both essential features of the enzymes, are rare. [...] Read more.
While many [FeFe]-hydrogenase biomimetics are effective proton-reduction catalysts, few are active for H2 oxidation, and examples containing both a pendant amine group, able to act as a proton relay, and a second redox center, both essential features of the enzymes, are rare. Here we report the preparation and oxidation chemistry of two ferrocene-functionalized amino-diphosphines (PCNCP), (CH2PR2)2NCH2Fc (R = Ph (1), Cy (2)), and their ethylenedithiolate (edt) diiron complexes, [Fe2(CO)4(μ-edt){κ2-(R2PCH2)2NCH2Fc}] (R = Ph (3), Cy (4)). Their crystallographic characterization shows that PCNCP occupies an apical–basal position. CV responses are slightly R-dependent, showing for 3 and 4 in three separate oxidative processes assigned to successive one-electron oxidation of the diiron core (quasireversible), appended Fc (reversible), and the amine–diiron moiety (irreversible), as confirmed by IR and UV–Vis spectroelectrochemical studies supported by Density Functional Theory (DFT) and Time-dependent Density Functional Theory (TDDFT) calculations. The first oxidation results in a structural rearrangement of the Fe(PNP)(CO) unit and the formation of a semi-bridging carbonyl. Slow protonation of 3 with HBF4∙Et2O affords the corresponding N-protonated cation in acetone, whilst μ-hydride products dominate for both 3 and 4 in CD2Cl2. A preliminary H2 oxidation study was carried out with 3, and while there was some evidence of activity, it was much lower than reported for alkyl-functionalized PCNPC diiron derivatives. Full article
(This article belongs to the Special Issue Iron Complexes as Models of [FeFe] Hydrogenases)
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Article
Surface Plasmon Resonance Analysis for Evaluating ASO Targeting Structured RNA
by Tomohiro Shinozaki, Takuya Hasegawa, MST Tahmina Akter, Kazuyuki Kumagai, Youichi Suzuki and Taiichi Sakamoto
Methods Protoc. 2026, 9(2), 48; https://doi.org/10.3390/mps9020048 - 15 Mar 2026
Abstract
Antisense oligonucleotides (ASOs) are nucleic acid therapeutics that regulate gene expression through sequence-specific hybridization with target RNA. Under physiological conditions, many target RNAs adopt higher-order structures, which can strongly influence ASO accessibility and binding behavior. Although UV melting analysis is widely used to [...] Read more.
Antisense oligonucleotides (ASOs) are nucleic acid therapeutics that regulate gene expression through sequence-specific hybridization with target RNA. Under physiological conditions, many target RNAs adopt higher-order structures, which can strongly influence ASO accessibility and binding behavior. Although UV melting analysis is widely used to evaluate the thermal stability of ASO/RNA duplexes, this approach does not adequately account for the structural features of target RNAs. In this study, we investigated the utility of surface plasmon resonance (SPR) analysis as an in vitro method to evaluate ASO binding while considering RNA structural constraints. Multiple ASOs were designed to target PRF84, an 84-nucleotide RNA motif that induces −1 programmed ribosomal frameshifting in HIV-1 gag-pol expression. SPR analyses were performed to compare ASO interactions with complementary RNA fragments and with structurally folded PRF84. The results demonstrated that identical ASOs exhibited distinct binding behaviors depending on whether the target was a complementary RNA or PRF84, indicating that RNA structure significantly affects ASO binding. These findings suggest that SPR analysis enables the evaluation of ASO–RNA interactions taking structure into account, and may be a useful alternative approach to conventional UV melting analysis-based ASO screening. Full article
(This article belongs to the Special Issue Advanced Methods and Technologies in Drug Discovery)
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