Microbial extracellular pigments are renewable colorants for sustainable textile dyeing. A yellow-pigment-producing fungal strain, H-1, isolated from spalted wood, was identified as Chaetomium globosum and evaluated for pigment production, characterization, stability, bioactivity, and wool dyeing. Stepwise single-factor screening indicated suitable culture conditions of initial pH 7, 25 °C, 10 d, 25 g/L glucose, 7 g/L fish peptone, and 0.25 g/L K2HPO4. Fourier-transform infrared spectroscopy (FTIR) revealed hydroxyl, aromatic, and C-O-C groups, and ultra-high-performance liquid chromatography-high-resolution tandem mass spectrometry (UHPLC-HRMS/MS) putatively annotated representative components including Chaetomugilin D and Armochaetoglobin G. The crude pigment produced preliminary inhibition zones of 14.30 ± 0.04 and 10.01 ± 0.17 mm against Staphylococcus aureus and Escherichia coli, respectively, while crude fermentation filtrates showed measurable hydroxyl and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging capacities under fixed assay conditions. The pigment was more stable under neutral to alkaline pH and short-term heating at 40-100 °C. Wool showed higher dye affinity than cotton, linen, and silk. Response surface methodology (RSM) optimized wool dyeing at pH 2.35, 91 °C, 80 min, and 2.04 g/L potassium aluminum sulfate, yielding a color strength (K/S) value of 11.65. After three dye-bath reuse cycles, K/S decreased by 16.28%, and washing/rubbing fastness remained above grade 3 under GB/T tests. These results support further development of Chaetomium globosum H-1 extracellular pigments for natural wool coloration and dye-bath reuse.

Metal organic frameworks (MOFs) exhibit significant application potential in separation science, showing particular promise as chromatographic packing materials. To address the problems of low mechanical strength, poor aqueous stability, complex synthesis procedures and high consumption of organic solvents in traditional MOF-based stationary phases, this study adopted a green and facile strategy employing water as the main solvent and room-temperature stirring combined with water-bath heating to prepare a Zr-MOF hybrid silica stationary phase. Specifically, aminated silica was first modified with 2,5-furandicarboxylic acid as a bio-renewable organic building block to obtain carboxyl-functionalized silica, followed by its reaction with ZrOCl2·8H2O as the metal source to yield the Zr-FDCA-MOF@SiO2 stationary phase. The separation performance of Zr-FDCA-MOF@SiO2 was systematically investigated by selecting various substances such as nucleosides, sulfonamides, antibiotics, vitamins, polycyclic aromatic hydrocarbons and positional isomers as target analytes, and the chromatographic retention mechanism was explored. The practical applicability was verified by the analysis of real pharmaceutical and food samples. The results showed that the as-prepared Zr-FDCA-MOF@SiO2 possessed favorable mechanical strength, adequate aqueous stability, satisfactory separation efficiency with acceptable repeatability, enabling effective separations of analytes with multiple polarities. This study establishes an environmentally friendly synthetic route to fabricate an efficient MOF based stationary phase using a bio-renewable ligand, which has clear academic significance and good potential for practical application.

Quasi-elastic neutron scattering (QENS) probes atomic and molecular motion on length and time scales central to catalysis, energy materials, and gas adsorption. However, conventional analytical fitting of QENS spectra often fails to uniquely determine the underlying dynamics. The flexibility of simplified line-shape models can make spectra generated by distinct physical processes statistically indistinguishable, leading to an ambiguous or inaccurate mechanistic interpretation. By integrating molecular dynamics simulations, physically derived Q-dependent scattering models, Bayesian model discrimination, and polarization analysis, we demonstrate that QENS can, for the first time, resolve anisotropic rotational motion in liquid benzene, a prototypical aromatic molecule relevant to microporous catalysis. The extracted spinning and tumbling diffusion coefficients suggest stronger anisotropy than previously recognized. This integrated, Bayesian evidence-based analytical framework defines a new paradigm for QENS, enabling direct resolution of the rotational and translational dynamics that govern molecular interactions and transport: the fundamental processes and rate-limiting steps in confined hydrocarbon catalysis.

The α7 nicotinic acetylcholine receptor (α7 nAChR) is a key modulator of neuronal and immunological signaling, and photopharmacology offers a route to control nicotinic transmission with high spatiotemporal precision. Here we report CPZ-2, a photoswitchable ligand inspired by a patented α7-active scaffold. CPZ-2 shows slow thermal relaxation, high photostability, and reversible photoswitching under one-photon irradiation, together with two-photon-induced photoisomerization monitored directly by HPLC-MS. Radioligand-binding competition performed on the trans-enriched state showed measurable displacement at α7 nAChRs and α1-containing receptors at 10 µM, with lower effects at α3β4 and α4β2 subtypes. Moreover, in wild-type zebrafish larvae, CPZ-2 modulated nicotine-evoked locomotion in a light-dependent manner after bath application. Finally, docking simulations in the α7 orthosteric site support a binding mode compatible with receptor engagement and suggest photostate-dependent differences in the orientation of the distal aromatic group relative to the C-loop region. Together, these data identify CPZ-2 as an uncharged, diffusible photoswitchable nicotinic ligand that combines robust one- and two-photon photochemistry with light-dependent modulation of nicotinic signaling in a wild-type vertebrate model.

Early-stage bacterial contamination and rapid biofilm growth are critical barriers to effective wound healing, highlighting the need for dressing materials that enable prompt, localised antibacterial intervention while maintaining cytocompatibility and sustainability. Here, we report a sustainable electrospun Janus nanofiber membrane based on two bio-derived semi-aromatic furan polyamides, poly(octamethylene furanamide) (PA8F) and poly(decamethylene furanamide) (PA10F), for antibacterial wound dressing applications. Although PA8F and PA10F differ only by two methylene units and show modest wettability differences as dense films, electrospinning into nanofiber networks amplifies this subtle molecular contrast into a pronounced, robust wettability asymmetry that enables a Janus dressing architecture without chemical surface modification. Tetracycline was physically dispersed within the hydrophilic PA8F, prior to electrospinning, to localise antibiotic delivery at the wound-material interface. The Janus membrane exhibits uniform, bead-free nanofibrous morphology and pronounced interfacial wettability asymmetry. Molecular dynamics simulations reveal distinct polymer-water interaction behaviours that underpin the experimentally observed hydration contrast between PA8F and PA10F. Drug release studies demonstrate rapid antibiotic availability, reaching ∼20 μg mL-1 in phosphate-buffered saline within 4 h. The Janus membranes achieve ∼1 log and ∼2 log reductions against Pseudomonas aeruginosa and Staphylococcus aureus colony biofilms, respectively, and produce ∼0.5 log bacterial reduction in an ex vivo porcine burn wound infection model. This study establishes the first use of sustainable furan-based semi-aromatic polyamides as electrospun wound dressings and demonstrates how electrospinning-induced asymmetry can translate subtle molecular differences into efficient, localised antibacterial delivery for advanced wound care.

Polycyclic aromatic hydrocarbons (PAHs) are hazardous organic pollutants commonly detected in fine particulate matter (PM2.5), posing significant risks to environmental and human health. In this study, a visible light active composite photocatalyst, MIL-88B(Fe)/AgCl/Ag, was synthesized via a precipitation method followed by photoreduction to enhance the photocatalytic performance of MIL-88B(Fe) for anthracene degradation. The ternary composite exhibited significantly improved photocatalytic activity compared with pristine MIL-88B(Fe) and AgCl/Ag under visible-light irradiation, which is attributed to the formation of an efficient heterojunction that promotes charge separation and reactive species generation. Scavenger experiments and electron paramagnetic resonance (EPR) spectroscopy revealed that singlet oxygen ([1]O2) is the dominant reactive species, while hydroxyl radicals ([•]OH) play a secondary role in the degradation process. Product analysis using UV-vis spectroscopy and GC-MS confirmed that anthracene is initially oxidized to 9,10-anthraquinone through [1]O2 and [•]OH. Further photochemical reactions lead to smaller aromatic products such as benzaldehyde, benzyl alcohol, and their methylated derivatives. The synergistic interaction between Ag/AgCl and MIL-88B(Fe) enables dual oxidation pathways and promotes charge separation, resulting in enhanced photocatalytic efficiency. These findings provide insight into the photocatalytic degradation pathways of anthracene and suggest the potential of MOF-based composite photocatalysts for visible-light-driven environmental remediation.

Thermophilic hot springs host highly specialized microbial communities critical for biogeochemical cycling and novel biotechnological applications. This study investigated the structure of the bacterial communities (bacteriomes) and predicted functional potential related to bioremediation and sulfur metabolism across three geochemically diverse soil sites within the Pharaoh's Bath Hot Springs ecosystem in South Sinai, Egypt. These sites were categorized by distinct thermal profiles: 70 °C (HS1), 75 °C (HS2), and 80 °C (HS3). Using 16 S rRNA gene amplicon sequencing and PICRUSt functional prediction, sequence analysis via the EzBioCloud server revealed that the HS2 site harbored the highest evenness and overall microbial diversity. Taxonomically, the HS1 and HS3 sites were dominated by Proteobacteria; in contrast, the HS2 site exhibited a more diverse profile, characterized by a reduced Proteobacteria presence and a high abundance of Rhodothermaeota. Predictive functional profiling identified 13 genes associated with biodegradation pathways (e.g., catechol and xylene degradation), suggesting an intrinsic genetic capacity to degrade complex aromatics and halogenated compounds across these thermal gradients. Regarding sulfur metabolism, functional predictions indicated that the HS2 site possessed the highest potential for dissimilatory sulfate reduction. Meanwhile, the HS1 site specialized in assimilatory sulfate reduction and, alongside the HS2 site, demonstrated a higher predicted capacity for sulfide oxidation. The distribution of heat-response genes varied by location: HspQ and Hsp33 were most prominent at the HS1 site, while HSP20 and DnaK reached their maximum abundance at the HS2 site. Overall, this study demonstrates the substantial intrinsic bioremediation potential of the studied bacteriomes and provides a predictive framework for understanding microbial functional potential in this system, with future studies offering opportunities to refine in situ functional validation and application.

Storm-induced overflows make stormwater drainage systems critical pathways for transporting emerging contaminants, such as heterocyclic polycyclic aromatic hydrocarbons (HPAHs), to surface waters, particularly during storms. HPAHs exhibit greater mobility, bioavailability, toxicity, and odor potential than conventional PAHs, however, uncertainties regarding their source apportionment and environmental fate hinder targeted mitigation. Utilizing a Chemical Mass Balance model, we quantified HPAH sources in stormwater overflows and determined that sewer sediments contributed 34%-62% of total HPAH concentrations and 46.7%-51.5% of risk quotient, thereby identifying sewer sediment as primary source. Further stormwater disturbance simulations revealed that low-molecular-weight HPAHs preferentially accumulate on particles, while high-molecular-weight dibenzofuran (DBF) and dibenzothiophene (DBT) readily desorb into water with resuspended sediments. Combined predictions from Ecological Quantitative Structure-Activity Relationship models and desorption experiments revealed that DBF and DBT's higher ecotoxicity and elevated release efficiencies synergistically challenge end-of-pipe removal, potentially posing long-term aquatic risks. Density Functional Theory analyses further clarified that large LUMO-HOMO energy gaps and neutral surface electrostatic potentials of DBF and DBT collectively diminish their adsorption affinity to sediment particles. By quantifying sewer sediment contributions and elucidating the specific transport mechanisms of HPAHs, this study provides a scientific foundation for the management of emerging contaminants in stormwater systems.

The malarial parasite, Plasmodium falciparum (Pf), utilizes aminopeptidases in the breakdown of hemoglobin-derived oligopeptides to release amino acids for protein synthesis during growth and asexual reproduction of erythrocytic stages of the parasite. However, a N-terminal peptide bond that involves proline is difficult to hydrolyze. Aminopeptidase P (APP) is capable of cleaving peptide bonds with proline in the second position. Inhibition of PfAPP is therefore an attractive strategy for developing therapeutics for the treatment of malaria by limiting the supply of amino acids at the erythrocytic stage. We employed the structure-activity relationship of an existing APP inhibitor, apstatin, to design a more potent PfAPP inhibitor by introducing a hydroxamic acid metal-binding group in place of the amino-alcohol of apstatin and an aromatic P4' moiety. A hydroxamic tetrapeptide with phenylalanine at P4' (6d) greatly increased the inhibitory potency (apstatin Ki, 16 μM; 6d, Ki 685 nM). Replacing the P3' proline of 6d with a 2-substituted piperidine (6e) further improved the potency (Ki, 24 nM). Crystal structure analysis of PfAPP in complex with 6d and 6e showed binding at the active site with coordination of the hydroxamic acid metal binding group to the di-metal center, and several protein-inhibitor interactions involving domains II and III. A comparison of PfAPP-6e with human APP1 indicated that the P4' phenylalanine drives inhibitor potency and selectivity toward PfAPP, by forming an interaction with Tyr617 of the adjacent monomer within the dimer. The details presented here should be useful for the future design of potent and selective PfAPP inhibitors.

Origanum dictamnus L. (dittany of Crete), is traditionally used as an herbal beverage valued for its digestive properties and aromatic profile. This study aimed to evaluate its potential as a functional food ingredient by combining detailed phytochemical profiling with assessment of gastrointestinal activity. The infusion, prepared according to the traditional mode, was chemically characterized by NMR and HPLC-PDA-MS. Its constituents were identified and quantified, revealing three major classes of secondary metabolites, including four novel flavone glycosides, Luteolin-7-O-[2'''-caffeoyl-glucuronopyranosyl-(1 → 2)]-O-glucuronopyranoside (1), Apigenin-7-O-[2'''-caffeoyl-glucuronopyranosyl-(1 → 2)]-O-glucuronopyranoside (2), Luteolin-7-O-[2'''-feruloyl-glucuronopyranosyl-(1 → 2)]-O-glucuronopyranoside (3) and Apigenin-7-O-[2'''-feruloyl-glucuronopyranosyl-(1 → 2)]-O-glucuronopyranoside (4). Functional evaluation was conducted using an ex vivo organ bath model with isolated rabbit jejunum and colon tissues, selected for their physiological relevance to human gut motility. The infusion demonstrated spasmolytic activity, modulating both phasic and tonic intestinal contractions. These effects were benchmarked against scopolamine and further explored through receptor inhibition assays. Our findings support the traditional gastrointestinal use of O. dictamnus and suggest its potential application in functional foods aimed at promoting digestive comfort.

The chemical recycling of commodity acrylic polymers, such as the transparent thermoplastic polymethyl methacrylate (PMMA), typically requires temperatures of 350-400°C. Herein, we report chemical recycling back to monomers for PMMA between 120-180°C, through UV illumination under oxygen-free conditions. We have achieved gram-scale degradation of consumer plastic with >95% conversion, yielding >70% monomer, which can be readily repolymerized. The process proceeds even at high concentrations (>1 M) and depends strongly on solvent choice: aromatic solvents like dichlorobenzene and diphenyl ether maximize conversion. In contrast to a concurrently published study, we report that chlorine radicals are not required for depolymerization; however, when present, they react with the unzipping chain to form chlorine-functionalized PMMA which can be upcycled through derivatization. In more sustainable non-chlorinated solvents such as benzonitrile, minimal termination by radicals enables complete unzipping. These findings demonstrate a low-temperature, scalable route for the chemical recycling of PMMA, offering alternative pathways for plastic circularity.

The objective of the study was to investigate the vanillic acid's (VA) protective effects, a phenolic compound, on the ram semen after freeze-thaw. Semen was obtained from Ramlıç rams and was diluted with control (0 μg/mL VA) and VA-supplemented Tris-based extenders at concentrations of 1, 10 and 50 μg/mL. The diluted semen was equilibrated for 2 h at +4°C, filled into 0.25 mL straws and frozen in liquid nitrogen vapour. It was then stored in a liquid nitrogen container at -196°C. For analysis, the samples were thawed at 37°C for 30 s in a water bath. There was no difference detected among total and progressive motility as well as velocity parameters (p > 0.05) except for rapid progressive motility (p < 0.05). The findings support the idea that VA has an outstanding effect on reducing DNA damage (p < 0.001). While there was no positive development with regard to total oxidant status (p > 0.05), VA enhanced the antioxidant defences of total antioxidant status (p < 0.05). VA administered at doses of 10 and 50 μg increased total antioxidant status (p < 0.01). Lipid peroxidation was not directly affected by VA application (p > 0.05); otherwise, 10 and 50 μg VA treatments showed a positive effect on viability (p < 0.001). Based on findings, it was concluded that although VA was put in the semen extender, it did not have an ameliorative potency on sperm motility and velocity properties except for specific sub-parameters such as rapid progressive motility. All applied doses reduced DNA damage, and 10 and 50 μg doses supported cellular viability.

A bis(trifluoromethyl)-substituted phosphinine undergoes reversible oxidative addition of primary and secondary alcohols at the low-coordinate phosphorus(III) atom. This unprecedented reactivity contrasts the general inertness of uncoordinated phosphinines toward protic substrates and provides a rare example of reversible alcohol activation mediated by a main-group element compound. DFT calculations suggest that a hydrogen-bonded methanol network enables the transformation, offering a new concept for dynamic E-H bond activation by electrophilic, aromatic phosphorus heterocycles.

Phthalic acid esters (PAEs) and polycyclic aromatic hydrocarbons (PAHs) are known to potentially impact both marine organisms and human health through the consumption of fish and seafood. In this study, the concentrations of 12 priority PAHs and 6 PAEs were analyzed in the tissues of 76 samples of five farmed fish species, including Litopenaeus vannamei (crustacean), Babylonia areolata, Marcia hiantina (mollusk), Trachinotus blochii, and Epinephelus lanceolatus (fish), collected from four coastal sites in Khanh Hoa province. Freeze-dried tissue was extracted using water bath ultrasonication with an acetone/n-hexane mixture. A triple quadrupole gas chromatograph-mass spectrometer (GC-MS/MS) was used for the analyses. The results showed that the total PAHs had low contamination levels. Among the PAEs, bis(2-ethylhexyl) phthalate (DEHP) exhibited the highest concentrations. The calculated hazard index (HI) for PAEs suggested no significant health risk. Six PAHs were detected, ranging from 9.14 µg kg[-1] in Pacific white shrimp to 47.34 µg kg[-1] in cockle. The incremental lifetime cancer risk (ILCR) values for PAHs in some samples exceeded the acceptable safety threshold. In the future, natural fish, environmental samples (seawater and marine sediment), and other information on natural conditions will be collected for analyses. This is the first report on the levels and health risks of PAEs and PAHs in farmed fishes along the Khanh Hoa coast.