The impact of chemical structure on redox behavior and biological activity of hydroxybenzoic acids.

Withanolides from Physalis minima as potential anti-inflammatory agents: From isolation to in vitro and in vivo validation.

An oil palm empty fruit bunch (EFB) sample was sequentially treated with ozone, 5 % NaOH, and ozone again under environmentally friendly and mild conditions to prepare cellulose-rich materials from agricultural EFB wastes. The ozonated, 5 % NaOH-treated, and re-ozonated products (O 3 -EFB, Ex-O 3 -EFB, and O 3 -Ex-O 3 -EFB, respectively) were obtained at mass recovery ratios of 83 %, 65 %, and 50 %, respectively, based on the dry mass of the raw EFB. The O 3 -EFB and Ex-O 3 -EFB samples maintained their original stick-like fiber bundle morphologies. In contrast, the O 3 -Ex-O 3 -EFB sample exhibited mostly individualized fibers. The relative glucose unit content increased from 39 % EFB to 79 % in O 3 -Ex-O 3 -EFB after removal of non-cellulosic components. The O 3 -Ex-O 3 -EFB contained a carboxy-group content of 0.37 mmol/g, which could be used as electrostatic adsorption sites of cationic compounds, nanoparticles, and metals by ion-exchange in aqueous systems. Ozonation remarkably depolymerized the cellulose molecules. However, this sample exhibited a broad molar-mass-distribution characteristic of the EFB sample, which are advantageous for better mechanical properties. The solid-state 13 C NMR spectra of the EFB samples showed the removal of acetyl ester groups in hemicelluloses and lignin during sequential treatment. Based on the results obtained in this study, suitable and unique application fields of EFB samples, different from wood chemical pulps, are provided. • Sequential O 3 -5 % NaOH-O 3 treatment increases cellulose content of EFB from 39 to 79 %. • O 3 -Ex-O 3 -treated EFB exhibits mostly individualized fibers by delignification. • O 3 -Ex-O 3 -treated EFB contains a high weak acid-group content of 0.37 mmol/g. • Degree of polymerization drops from ∼2000 for EFB to ∼330 for O 3 -Ex-O 3 -treated EFB. • 13 C NMR spectra show efficient removal of acetyl groups and lignin during treatment.

Dental caries remains a major challenge in clinical dentistry, with successful resin restoration relying on the formation of a durable dentin-resin interface. In minimally invasive dentistry (MID), caries-affected dentin (CAD) is routinely preserved and often becomes the primary bonding substrate. However, bonding to CAD is suboptimal, and current strategies to improve this interface are limited. Here, we present a novel bonding strategy based on a dual-reactive functional monomer, ITCM, in combination with pretreatment application techniques. A simple 5-s ITCM pretreatment significantly enhanced both immediate and aged bond strength to CAD. Acting as a "molecular bridge", ITCM bridges hydrophilic CAD layer with hydrophobic adhesive layer, facilitating the formation of a chemical interlocking structure, increasing CAD surface energy, and promoting deep adhesive infiltration. In addition, ITCM improves collagen enzymatic resistance and functions as a non-zinc-binding inhibitor of MMPs. Biocompatibility assessments demonstrated acceptable in vitro and in vivo safety, supporting its clinical potential. This study addresses a critical challenge in dentistry by introducing a chemical bonding strategy tailored to CAD. The ITCM pretreatment strategy provides a foundation for next-generation adhesives aimed at reinforcing the CAD-resin interface, extending restoration longevity, and preventing secondary caries.

Origin of strain localization near prior austenite grain boundary in martensitic steel: Role of chemical and dislocation structures

Recent advances in chemistry and bioactivity of decalin-containing natural products (2014-2025).

Polyoxometalates subnanowires-reinforced covalent organic framework nanosheets membranes for enhanced proton conductivity and mechanical property.

Isolation, structural re-elucidation of two active prenylated flavonoids from Morus alba L. twigs responsible for anti-inflammatory effects: an in vitro and in silico approach.

Development of HECAM passive samplers for discovering the occurrence, sources, and transport of tire additives and their transformation products in surface waters.

Graphene oxide based membranes for selective ion/molecule transport in water.

Hexafluoropropylene oxide trimer acid is an unsafe substitute to perfluorooctanoic acid: The perspectives of intestinal microflora and hepatotoxicity in frog.

The concentrations of 36 per- and polyfluoroalkyl substances (PFAS) and two oxidative stress biomarkers, dityrosine (DIY) and 8-Hydroxy-2'-deoxyguanosine (8-OHdG), were determined with UPLC-MS/MS in the liver, kidney, muscle, and fat tissue of loggerhead turtles from the western Mediterranean Sea. 8-OHdG was highly prevalent in the liver, with a detection rate (DR) of 95.5%, demonstrating its potential as a biomarker of oxidative stress, it cannot be linked specifically to PFAS. Dityrosine, however, was not often determined in these marine turtles' tissues (DR=17%). Short chain PFAS, like 6:2 FTS, PFPeA and NaDoNa were very prevalent (DRs >50%); although PFOS was found in 76.5% of the kidneys and 41.2% of the muscle samples of the turtles studied. Interestingly, ∑13PFCAs showed high concentrations both in kidney and in liver (median=3347.27ng/g d.w. and 816.84ng/g d.w., respectively). PFAS with similar chemical structures accumulated in the same organs, potentially indicating similarities in their metabolism. Exposure to these PFAS is expected to be relatively recent, as most turtles in this study were juveniles. Finally, no correlations were observed between PFAS concentrations and sex, size classes or location (provinces), therefore, no patterns in bioaccumulation could be assessed. Our findings suggest that these turtles experience chronic PFAS exposure, with some individuals accumulating high concentrations of certain compounds.

1-Hydroxy dammarane triterpenoids from the aerial parts of Gomphogyne bonii enhance glucose uptake in 3T3-L1 adipocytes through activation of AMP-activated protein kinase.

Biopolymers, particularly polysaccharides such as pectin, chіtosan and alginate, offer significant potential in addressing numerous current environmental and health issues. In contrast to synthetic polymers, natural polysaccharides possess valuable properties such as biodegradability, biocompatibility, and non-toxicity. Due to that, they have proven their efficiency in biomedical applications for drug encapsulation and delivery, wound healing and tissue engineering. Moreover, their natural origin and environmental compatibility make them highly suitable for applications in agriculture, particularly in soil conditioning and remediation. These well-known, commercially available biopolymers have unique functional properties which, when combined, can improve their physicochemical properties synergistically. Methods of Calcium Alginate and mixed polysaccharides based on Alginate and Pectins A and LM synthesis in the form of spherical beads with adjustable diameter were developed, and the influence of the nature and concentration of the components on their properties was analysed. The morphology of the synthesized polysaccharide gels (based on Alginate, Alginate-Pectin A and Alginate-Pectin LM) was examined by means of electron microscopy (SEM), while their chemical structure was confirmed by FTIR. The elemental composition of the synthesised polysaccharides was studied using energy-dispersive X-ray spectroscopy (EDX), while their thermostability and thermolysis processes were analysed using thermogravimetric analysis. It was demonstrated that the synthesised polysaccharide beads could withstand steam sterilisation at 121 °C without undergoing significant changes. This opens up the possibility of using them in various biomedical technologies. Studying the swelling kinetics of polysaccharide gels in different solvents (water, saline and phosphate-buffered saline (PBS)) enabled us to determine their inherent Fick diffusion type. The developed mixed polysaccharides show promise as a synthetic soil conditioner for agricultural use and for targeted delivery and controlled release of medicine.

Deep eutectic solvents (DESs), recognized as economical and environmentally friendly green solvents, are employed for the fractionation of lignocellulosic biomass with varying degrees of effectiveness. This work compared choline chloride/urea (ChCl/Ur), choline chloride/lactic acid (ChCl/LA), and lactic acid (LA) for poplar fractionation. The interactions between the solvents and the components of biomass were investigated based on the chemical structure of the solvent constituents. The efficiency for the fractionation is hypothesized to depend on the availability of acidic or alkaline functional groups within the solvent constituents and relate to the solvent-component affinity. A promising water-regulated DES system, choline hydroxide/urea (ChOH(H2O)/Ur), was discovered for the fractionation of lignocellulosic biomass. This system achieved component removal rates exceeding 40% relative to the raw poplar at 60°C and enabled efficient fractionation of other biomass from different sources. The extracted components exhibited unique properties, retaining relatively intact structures and requiring no further purification. This study contributes to a deeper understanding of how solvent components influence the interactions between DESs and biomass components, providing valuable insights for designing and selecting novel solvent systems for the green comprehensive utilization of lignocellulosic biomass resources.

Complex mixtures of anthropogenic micropollutants (MPs) pose risks to ecosystems and health by entering the environment through multiple pathways. Microbial biotransformation is a major removal process, yet the key drivers remain poorly understood. Activated sludge (AS) treatment in wastewater treatment plants (WWTPs) acts as a partial barrier and reduces MP emissions into aquatic ecosystems, yet removal efficiencies vary widely across MPs. Here, we studied the biotransformation of 189 MPs in AS from six Swiss WWTPs operated at three treatment conditions: carbon elimination (Celim), nitrification-denitrification (DeNit), and moving bed biofilm reactors (MBBR). MPs were spiked into lab-scale assays with AS sampled from those WWTPs and analyzed by high-resolution mass spectrometry to derive biotransformation rate constants. Overall, biotransformation efficiency followed the order of solids retention time (MBBR>DeNit>Celim), and, across MPs, their average influent concentration (Cinf) was the most decisive factor for increasing observed transformation. Using a multivariate analysis approach, we further identified structural features that were key determinants of MP biotransformation. Presence of functional groups amenable to broadly co-metabolic processes (e.g., amides, esters, sulfonamides) resulted in fast biotransformation and consistently low variability across treatment technologies. In contrast, we found ample evidence for catabolic degradation of many of the MPs, which mostly exhibited high variance across treatment technologies, and identified specific structural features that increased the likelihood of catabolic degradation. Contrary to prevailing assumptions, catabolic degradation was found to be widespread, especially in MBBR, and not limited to high-Cinf MPs. These findings provide new insights into the fate of MPs during microbial biotransformation, and highlight the need to distinguish co-metabolic from catabolic pathways when further investigating the structural determinants that lead to increased biotransformation. As such, our study is in line with the EU's Safe and Sustainable by Design (SSbD) framework, emphasizing proactive chemical design for full biodegradability.

Designing colloidal assemblies with molecule-like architectures comprising more than two electronically coupled quantum dots has often required technologically complex, expensive, and top-down nanofabrication. Here we demonstrate a one-pot chemical synthesis of dimeric, trimeric, and tetrameric assemblies of coupled molecule-like quantum dots (CMQDs), using ZnSe@ZnS quantum dots as model. We show that the "valence" of these "artificial atoms" can be readily tuned by the amount of a suitable ligand in the reaction mixture, and that high-temperature fusion yields highly ordered oriented attachment and strong electron coupling between bound QDs. The shapes of the fused assemblies echo the canonical sp-, sp²-, and sp³-hybridization motifs and can be interpreted as appropriately shaped confining potential wells for electrons and holes. This work establishes an experimentally accessible entry point to related "artificial molecules" with controllable chemical composition, geometry, and electronic structure. The enhanced or emergent properties of such nanomaterials are anticipated to advance applications in optoelectronics, sensing, and quantum photonic technologies.

The influence of Thermomyces lanuginosus on the chemical structure of biopolymers and lipids from hemp pomace during solid-state fermentation (SSF) was studied using Nuclear Magnetic Resonance (NMR) spectroscopy. The samples of hemp pomace before, during and after SSF were used for the isolation of biopolymers (lignin, cellulose, hemicellulose) and lipids, which were subsequently analyzed using solution and solid-state NMR spectroscopy. It was observed that SSF significantly alters the composition and quality of individual biopolymers. An increase in the carbonyl group content in lignin was noted. In lipid samples, a significant reduction in mono-, di-, and triglycerides occurred accompanied by an increase in glycerol and unsaturated fatty acids. SSF also notably impacted phosphorus-containing compounds in the hemp pomace. These results demonstrate that SSF enables targeted modification of key chemical components in hemp pomace. By altering the structure of lignin, breaking down complex lipids, and affecting phosphorus-containing compounds, SSF improves the chemical quality and functionality of the biomass. This highlights its potential as an effective method for upgrading agricultural residues into more valuable and versatile materials supporting sustainable biorefinery applications.

ABSTRACT Sputtering of tungsten disulfide (WS 2 ) thin films at room temperature represents a significant challenge in terms of stoichiometry. Often, sulfur is lost during deposition and the resulting thin films contain many defects, due to the high energy impact from the plasma process. The target material is also affected by these phenomena. It has been demonstrated that the storage in ambient atmosphere results in oxidation of the films and the target. This study examines the impact of pre‐sputter time and deposition power on the chemical composition and structure of WS 2 thin films. The target was stored in atmospheric condition and in a dark ambient before mounting into deposition chamber. The impact of light irradiation was examined, with a focus on the chemical and structural modifications of the films. EDS was utilized to analyze the chemical compositions of target and films, while AFM, SEM, TEM and XRD were employed to examine the microstructure of the films depending on the deposition conditions. The thin films have a WS x O y composition with varying S‐ and O‐content. For low sputter power an increasing tendency for crystalline behavior at the surface along with a higher S‐content was observed, while films deposited at 80 W remain X‐ray amorphous.

The increasing resistance of insects to conventional pesticides drives the search for new bioactive heterocycles with novel modes of action. An efficient one-pot protocol was developed for the synthesis of new aminothiazolo[3,2-a]pyrimidine-2-carboxamides as key precursors to pyrimido[4',5':4,5]thiazolo[3,2-a]pyrimidines, offering high yields, short reaction times, and operational simplicity. Density functional theory calculations confirm preferential formation of the thermodynamically stable isomers. Assignment of the chemical structures for the newly synthesized heterocycles was confirmed utilizing elemental and spectral techniques. Furthermore, photoluminescence studies revealed aggregation-induced emission behavior for selected derivatives (2b and 6). Biological evaluation demonstrated notable anti-inflammatory activity, with morpholine-substituted compound 5c showing enhanced efficacy. Insecticidal screening against Aphis gossypii identified compound 5a as the most active candidate, supported by molecular docking indicating strong interaction with the nAChR target. These results highlight compound 5a as a promising lead for insecticidal development. The previous findings were supported by molecular docking studies.