From text to insight: large language models for chemical data extraction.

The vast majority of chemical knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial automation for data extraction for specific use cases. The advent of large language models (LLMs) represents a significant shift, potentially enabling non-experts to extract structured, actionable data from unstructured text efficiently.

A lutein and zeaxanthin enriched extra virgin olive oil as a potential nutraceutical agent: A pilot study.

Xanthophylls lutein and zeaxanthin are carotenoids with important antioxidant capacities and relevant roles against the prevention of eye diseases. In this study a valorization of non-commercial spinach to obtain lutein and zeaxanthin as raw materials to develop nutraceuticals was carried out. Three oil matrixes were analyzed: extra virgin olive oil (EVOO), lutein and zeaxanthin enriched EVOO (EVOO+LZ), and EVOO enriched with 25 % of EVOO+LZ (namely EVOO+D) to evaluate their biological potential as antioxidants.

Antioxidant Activity and Hypoallergenicity of Egg Protein Matrices Containing Polyphenols from Citrus Waste.

This study reports on the interactions of egg proteins, which represent a major health concern in food allergy, with polyphenols obtained from orange and lemon peels. The antioxidant properties of such citrus peel extracts prior to protein binding were evaluated. The resulting edible, and therefore inherently safe, matrices exhibit reduced IgE binding compared to pure proteins in indirect immunological assays (ELISA) using individual sera from patients allergic to ovalbumin and lysozyme.

Highlighting the adsorption mechanism of a fluoroquinolone antibiotic from wastewater on carbon xerogel by experiments, characterization, modelling and DFT simulation.

The application of a synthesized carbon xerogel (RFX) for the adsorptive removal from water of ciprofloxacin (CPX), a widely used fluoroquinolones-group antibiotic for humans and animals, has been reported in this work. The carbon xerogel was characterized by N adsorption-desorption isotherms, FTIR, Raman spectroscopy, TPD studies, elemental analysis, determination of isoelectric point (pH) and scanning electron microscopy (SEM). CPX adsorption experiments were conducted in batch mode, using results obtained with F400 commercial activated carbon for comparison purposes.

Targeting cow's milk allergy using hypoallergenic protein-polyphenol formulas: A proof of concept.

Cow's milk allergy caused by a hypersensitivity to milk proteins has increased over the last years. Hypoallergenic responses can be induced by altering the structure of such proteins with chemical modifiers; this paper is about the creation of edible matrices based on polyphenols from orange peel. Some compounds were able to significantly lower the IgE binding from β-lactoglobulin allergic serum in sensitized patients.

Food Allergens: When Friends Become Foes-Caveats and Opportunities for Oral Immunotherapy Based on Deactivation Methods.

Food allergies represent a serious health concern and, since the 1990s, they have risen gradually in high-income countries. Unfortunately, the problem is complex because genetic, epigenetic, and environmental factors may be collectively involved. Prevention and diagnoses have not yet evolved into efficacious therapies.

A synthetically benign one-pot construction of enamino-xanthene dyes.

Polyhydroxylated phenols are components of biomass and precursors of pigments in plants. This paper reports a novel entry to xanthene dyes, involving the reaction of 2,4,6-trihydroxybenzaldehyde with primary aliphatic amines. This catalyst-free synthesis exhibits a high atom economy and can be conducted under eco-friendly conditions and operational simplicity.

Core-Shell Molecularly Imprinted Polymers on Magnetic Yeast for the Removal of Sulfamethoxazole from Water.

In this work, magnetic yeast (MY) was produced through an in situ one-step method. Then, MY was used as the core and the antibiotic sulfamethoxazole (SMX) as the template to produce highly selective magnetic yeast-molecularly imprinted polymers (MY@MIPs). The physicochemical properties of MY@MIPs were assessed by Fourier-transform infrared spectroscopy (FT-IR), a vibrating sample magnetometer (VSM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), specific surface area () determination, and scanning electron microscopy (SEM).

Upcycling spent brewery grains through the production of carbon adsorbents-application to the removal of carbamazepine from water.

Spent brewery grains, a by-product of the brewing process, were used as precursor of biochars and activated carbons to be applied to the removal of pharmaceuticals from water. Biochars were obtained by pyrolysis of the raw materials, while activated carbons were produced by adding a previous chemical activation step. The influence of using different precursors (from distinct fermentation processes), activating agents (potassium hydroxide, sodium hydroxide, and phosphoric acid), pyrolysis temperatures, and residence times was assessed.

Integrating anaerobic digestion and pyrolysis for treating digestates derived from sewage sludge and fat wastes.

The coupling of biological and thermal technologies allows for the complete conversion of wastes into energy and biochar eliminating the problem of sludge disposal. The valorisation of fatty residues as co-substrate in a mesophilic digester of a wastewater treatment plant was studied considering an integrated approach of co-digestion and pyrolysis. Four digested samples obtained from co-digestion of sewage sludge and butcher's fat waste were studied by thermogravimetric analysis.

Antioxidant and antimicrobial evaluation of rice bran (Oryza sativa L.) extracts in a mayonnaise-type emulsion.

The objective of this study was to evaluate the in vitro antimicrobial and antioxidant activities of different bran extracts and concentrations, and their influence on the parameters of a mayonnaise-type emulsion. To that end, first ethanol and then water were used to extract two rice bran extracts (RBE) from rice bran. Both these extracts were then added at two different concentrations (0.

Magnetic FeO/multi-walled carbon nanotubes materials for a highly efficient depletion of diclofenac by catalytic wet peroxideoxidation.

The aim of this work is to synthesize a magnetic magnetite/multi-walled carbon nanotube (FeO/MWCNT) catalyst by a method combining co-precipitation and hydrothermal treatments for the efficient removal of diclofenac (DCF) by catalytic wet peroxide oxidation (CWPO). The support (MWCNTs) shows a moderate-large surface area and good adsorption capacity, leading to the improvement of the magnetite (FeO) dispersion on its surface. The response surface methodology (RSM) was applied in order to find out the effect of the reaction parameters on DCF removal, allowing to establish the optimum operating conditions (T = 60 °C, [HO] = 2.

Fixed-bed performance of a waste-derived granular activated carbon for the removal of micropollutants from municipal wastewater.

This work aimed to assess the fixed-bed adsorptive performance of a primary paper mill sludge-based granular activated carbon (PSA-PA) for the removal of pharmaceuticals, namely carbamazepine (CBZ), sulfamethoxazole (SMX) and paroxetine (PAR), from water. The breakthrough curves corresponding to the adsorption of CBZ at different flow rates and in two different matrices (distilled and municipal wastewater) were firstly determined, which allowed to select the most favorable flow rate for the subsequent experiments. The fixed-bed adsorption of CBZ, SMX and PAR from single and ternary solutions in wastewater showed that the performance of PSA-PA was different for each pharmaceutical.

Synthesis and antiproliferative activity of new 2-glyco-3-nitro-2H-chromenes.

3-nitro-2H-chromenes and derivatives are compounds with diverse biological activity, among them, new 2-glyco-3-nitro-2H-chromenes have been prepared by one-pot oxa-Michael-Henry-dehydration reactions between carbohydrate-derived nitroalkenes and several salicylaldehydes, using a minimal amount of solvent and DBU as catalyst. The antiproliferative activity of these new compounds has been evaluated against a panel of six human solid tumor cell lines, and compared to pharmacological reference compounds, finding that their activities are in the low micromolar range and that some of them are more effective than the standards.

Obtaining granular activated carbon from paper mill sludge - A challenge for application in the removal of pharmaceuticals from wastewater.

In this work, a granular activated carbon (GAC) was produced using primary paper mill sludge (PS) as raw material and ammonium lignosulfonate (AL) as binder agent. PS is a residue from the pulp and paper industry and AL is a by-product of the cellulose pulp manufacture and the proposed production scheme contributes for their valorisation together with important savings in GAC precursors. The produced GAC (named PSA-PA) and a commercially available GAC (GACN), used as reference material, were physically and chemically characterized.

Bioavailability, composition and functional characterization of extracts from Oryza sativa L. bran.

The aim of this study has been to assess the composition and antioxidant activities of rice bran extracts submitted to a human simulated digestion, which extraction process was previously optimized. In order to adjust the optimum values for the extraction, D-optimal experimental design and response surface methodology have been applied. Phenolic compounds and γ-oryzanol contents have been used as response parameters.

Production of highly efficient activated carbons from industrial wastes for the removal of pharmaceuticals from water-A full factorial design.

The wide occurrence of pharmaceuticals in aquatic environments urges the development of cost-effective solutions for their removal from water. In a circular economy context, primary paper mill sludge (PS) was used to produce activated carbon (AC) aiming the adsorptive removal of these contaminants. The use of low-cost precursors for the preparation of ACs capable of competing with commercial ACs continues to be a challenge.

Virgin Olive Oil Enriched with Lutein-Zeaxanthin from Spinacia oleracea.

The aim of this work consists of developing a technological process for elaborating a virgin olive oil enriched in lutein-zeaxanthin extracted from spinach, studying different parameters like temperature, time of extraction and different ratios (spinach-oil). It was observed that the amount of carotenoids extracted increased up to a maximum after 24 hours and decreased as the maceration time progressed up to 60 hours, resulting of biological degradation. It was also observed that as more spinach we added, as more lutein-zeaxanthin in the enriched virgin olive oil was obtained.

Synthesis and antiproliferative activity of peracetylated 2-amino-1,2-dideoxy-1-nitro-d-glycero-l-manno and d-glycero-d-talo heptitols.

Michael additions between carbohydrate derived nitroalkenes and several aliphatic and aromatic amines proceeded in a stereoselective way, leading to peracetylated 2-amino-1,2-dideoxy-1-nitro-heptitols. In addition, the antiproliferative activity of some of the new adducts has been studied. The results allowed to identify lead compounds which show GI values in the range 1.

Removal of fluoxetine from water by adsorbent materials produced from paper mill sludge.

In this work, three adsorbents were produced by using as precursor primary paper mill sludge and applying KOH, NaOH or ZnCl2 as chemical activating agents (PS800-10KOH, PS800-10NaOH and PS800-10ZnCl2) and subjected to pyrolysis. The produced materials were tested for removal of fluoxetine from water, reported as one of the most persistent pharmaceuticals in the aquatic environment. Also, primary sludge pyrolysed under the same conditions but without activation (PS800-10) and a commercial activated carbon (PBFG4) were studied for comparison.

Production of adsorbents by pyrolysis of paper mill sludge and application on the removal of citalopram from water.

This work describes the production of alternative adsorbents from industrial residues and their application for the removal of a highly consumed antidepressant (citalopram) from water. The adsorbents were produced by pyrolysis of both primary and biological paper mill sludge at different temperatures and residence times. The original sludge and the produced chars were fully characterized by elemental and proximate analyses, total organic carbon, specific surface area (BET), N₂ isotherms, FTIR, (13)C and (1)H solid state NMR and SEM.

Phenolic compounds and antioxidant capacity of virgin olive oil.

The characterisation of virgin olive oil from Arbequina, Carrasqueña, Corniche, Manzanilla Cacereña, Morisca, Picual, and Verdial de Badajoz varieties according to the individual phenolic compounds at different ripening stage was carried out. In all olive oil varieties studied, secoiridoid derivatives were most abundant, followed by phenolic alcohols, flavonoids and phenolic acids. The secoiridoid derivatives of hydroxytyrosol were the most important complex phenols for Picual and Carrasqueña, whereas the tyrosol derivatives were the major ones found in Manzanilla Cacereña, and Verdial de Badajoz.

[Prudent use of antibiotics and suggestions for improvement from hospital-based medicine].

The largest consumption of antimicrobials is concentrated in hospitals and within them, the intensive care units. The quality of antimicrobial use is not optimal, with up to 50% of prescriptions being unnecessary or inappropriate. Inappropriate antibiotic use leads to severe consequences, such as increased patient mortality and morbidity and bacterial resistance.