Artículos (Química Analítica)

URI permanente para esta colecciónhttps://hdl.handle.net/11441/10909

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Liquid chromatography (ion mobility) coupled to organic and inorganic mass spectrometry for determination of eight thyroid hormones in human milk with enantiomeric separation of thyroxine
(Elsevier, 2025) Vélez-Pérez, Rafael de Fátima; Arias Borrego, Ana; Velasco, Inés; Soldevila, Berta; García-Barrera, Tamara; Química Analítica; Ministerio de Ciencia e Innovación (MICIN). España; Junta de Andalucía; Instituto de Salud Carlos III; European Union (UE)
Human milk is a crucial source of thyroid hormones, essential for neonatal development. We developed and validated a three-phase hollow-fiber liquid-phase microextraction method, coupled to ultra-high performance liquid chromatography and ion mobility mass spectrometry, to simultaneously quantify eight thyroid hormones, including the chiral forms D-thyroxine and L-thyroxine in human milk. The method showed excellent linearity (R2 > 0.999), low limits of detection (0.7–19.8 μg L− 1), and high recoveries (83–114 %). The analysis of 30 human milk samples, revealed that D-thyroxine (115.1–157.5 μg L− 1) was more abundant than L-thyroxine (47.9–193.6 μg L− 1), and reversed triiodothyronine prevailed over triiodothyronine. This is the first report of chiral forms of thyroxine, diiodotirosine, and thyronine in human milk, with potential implications for lipid metabolism and infant thyroid regulation. These findings highlight the method sensitivity and biological relevance, offering a robust tool for future nutritional and endocrine studies.
A paradigm shift in sample preparation using sustainable membrane phases: Hype or reality?
(Elsevier, 2025) Casado-Carmona, Francisco Antonio; Aranda Merino, Noemí; Herrero-Martínez, José Manuel; Moliner-Martínez, Yolanda; Cárdenas, Soledad; Miró, Manuel; Química Analítica; Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Agencia Estatal de Investigación. España; Generalitat Valenciana
In the field of sample preparation, a vast amount of effort over the past decade has been geared toward the development of sustainable liquid and sorptive phases with green credentials and practicality to solve analytical challenges. Notwithstanding the main types and formats of biodegradable and renewable materials encompass bead and solid-fiber type arrangements, sustainable materials are readily amenable to membrane-based microextraction. In this manuscript, the role of biomembranes and biomembrane composites incorporating nanostructured materials, biomolecules and hydrophobic natural solvents for the isolation and preconcentration of organic and inorganic pollutants based on thin film microextraction, supported liquid-phase microextraction and electromembrane extraction is discussed in detail. Insights into the physicochemical properties that endow these biomembranes with unique features for extraction procedures in environmental, food, and biological matrices along with challenges to make them competitive in terms of analytical properties against synthetic polymer phases are highlighted. The potential of integrating planar biomembranes in automatic flow systems and performing on-site screening protocols with chromogenic polymeric membranes is also underscored.
Feasibility of an aquaponic system composed of a living wall coupled with an ornamental pond with fish in real-life conditions
(Wiley-VCH, 2025) Fernández Cabanás, Víctor Manuel; Martínez Millán, Leonardo; Suárez Cáceres, Gina Patricia; Fernández Cañero, Rafael; Rossini Oliva, Sabina; Fernández Espinosa, Antonio José; Franco Salas, Antonio; Pérez Urrestarazu, Luis; Agronomía; Biología Vegetal y Ecología; Ingeniería Aeroespacial y Mecánica de Fluidos; Química Analítica
Green and blue infrastructures are often combined to create pleasant urban landscapes and provide new ecosystems in the built environment. New techniques for building integrated vegetation systems, such as vertical greening, are becoming common. In this work, we evaluate a case study of a combined aquaponic system composed of a living wall (LW) coupled to an ornamental pond with fish. The system allows the metabolic waste of fish and the unconsumed feed to be converted by a bacterial population into mineral nutrients that are used by the plants in the LW. For this purpose, the pond water was recirculated through a 7.2 m2 LW planted with 11 different ornamental plant species. The objectives of the study were (1) assessing the performance of LW vegetation irrigated with water from a pond and (2) monitoring the pond water quality with the LW used as a biofilter. The evolution of vegetation growth was monitored for 1 year by image analysis, and the concentration of some nutrients in the water was determined pre- and post-coupling. Vegetation cover increased from 30% to almost 100% after 1 year. Iron, magnesium, and nitrogen content increased in the LW plants after coupling with the pond. Electrical conductivity increased slightly with time, keeping below 500 µS cm−1. Nitrates, nitrites, and phosphates in the water were significantly reduced after the pond was coupled with the LW. Overall, the combination of both systems proved to be successful, optimizing the use of water and fertilizers with a circular economy focus.
Chemical and spectral profiling of the oil fraction in fried tomato sauces with distinct oil ingredients
(Elsevier, 2025-09-01) Ramírez, Eva María; Lobo Prieto, Ana; Díaz Montaña, Enrique Jacobo; Aparicio Ruiz, Ramón; Tena Pajuelo, Noelia; Morales Millán, María Teresa; García-González, Diego L.; Química Analítica; Junta de Andalucía; Ministerio de Ciencia, Innovación y Universidades (MICIU). España
The type of oil used in the preparation of fried tomato sauce plays a relevant role in consumers' purchase decision. However, there is limited scientific information available on how to assess the quality and authenticity of the oils cited on the label, particularly once the oils are incorporated into a complex food matrix. In this study, oils were extracted from tomato sauces using physical methods aimed at preserving their original composition. The analyses of fatty acids and sterols revealed distinct profiles corresponding to each oil type. Although volatile compounds were transferred from the sauce to the extracted oils, the volatile profiles still reflected oil specific differences. Additionally, the extracted oils were characterized by spectroscopic techniques. ATR-FTIR spectrometry indicated varying degrees of oxidation, evidenced by high relative standard deviations in hydroperoxide (81.1 %) and alcohol (76.9 %) absorption bands. Furthermore, PARAFAC analysis of fluorescence excitation-emission matrices (EEMs) identified two components: one associated with phenols and tocopherols and their oxidation products (λex/λem 325/381 nm), and another linked to other oxidation products (λex/λem 325/427 nm). While extra virgin olive oil (EVOO) and sunflower oil samples exhibited similar emission spectra, their intensities differed notably. Overall, the analytical results confirmed that the oils matched those declared on product labels, supporting the reliability of consumer information and demonstrating the feasibility of oil characterization within processed food products.
Removal of Ibuprofen from Contaminated Water by Bioaugmentation with Novel Bacterial Strains Isolated from Sewage Sludge
(MDPI, 2025) Aguilar Romero, Inés; Lara Moreno, Alba; Madrid, F.; Villaverde Capellán, Jaime; Alonso Álvarez, Esteban; Santos Morcillo, Juan Luis; Morillo, Esmeralda; Química Analítica; Microbiología y Parasitología; Junta de Andalucía; European Commission (EC). Fondo Europeo de Desarrollo Regional (FEDER)
Ibuprofen (IBP), one of the most consumed drugs in the world, is only partially removed in Wastewater Treatment Plants (WWTPs). Its presence in effluents and sewage sludge introduces IBP into the environment. It is imperative to continue research on IBP degraders that can be used in the future to eliminate IBP at the WWTP level. This study describes the use of nine specific IBP-degrading bacteria isolated from sewage sludge (Achromobacter denitrificans, Bordetella petrii, Brucella tritici, Curtobacterium flaccumfaciens, Microbacterium paraoxydans, Pseudomonas citronellolis, Pseudomonas nitroreducens, Shinella zoogloeoides, Stenotrophomonas acidaminiphila) for the removal of IBP from water. Their half-maximal inhibitory concentration of IBP for bacterial growth (IC50) revealed a high level of IBP tolerance. Degradation of IBP (10 mg L−1) was effective for all the strains using glucose as a secondary substrate. Seven of the nine strains were shown to be IBP degraders for the first time by our research group, highlighting A. denitrificans CSW15, with almost 47% IBP degraded, and C. flacumfaciens CSW18, with 32.2% after 28 days. Three IBP transformation products were identified: 1-hydroxyibuprofen (1-OH-IBP), 2-hydroxyibuprofen (2-OH-IBP), and carboxyibuprofen (CBX-IBP). A comparison of the effectiveness of IBP degradation by the nine isolates with most other IBP-degrading bacteria previously reported was carried out.
Using Chemical Composition and Antioxidant Activity in Evaluation of Enological By-Products According to Type, Vinification Style, Season, and Grape Variety
(Multidisciplinary Digital Publishing Institute (MDPI), 2025-07-08) Mora Garrido, Ana Belén; Jara Palacios, Mª José; Escudero Gilete, María Luisa; Cejudo Bastante, María Jesús; Nutrición y Bromatología, Toxicología y Medicina Legal; Química Analítica; Ministerio de Ciencia e Innovación (MICIN). España
Large quantities of oenological by-products, rich in potentially extracted antioxidant compounds, are generated annually in the winemaking industry. With the purpose of their revalorization, different types of by-products (grape pomace, lees, and grape seed meal) from the winemaking industry from three vinification typologies (red, rosè, and white) and four varieties (Tempranillo, Syrah, Airén, and Zalema) in two grape growing seasons (2022 and 2023) were considered. Attention was focused on the content of protein, individual phenolic compounds (anthocyanins, flavonols, hydroxycinnamic acid derivatives, hydroxybenzoic acids, monomeric flavan-3-ols, and procyanidins), and antioxidant activity (DPPH, ABTS, and cyclic voltammetry). The data obtained showed considerable amounts of protein (around 30%) in red lees and a high concentration of phenolic compounds in the by-products, especially anthocyanins and flavonols in the by-products derived from rosè vinifications and flavan-3-ols, procyanidins, and hydroxybenzoic acids in red grape by-products. The antioxidant activity was different between the by-products. Specifically, the electrochemical behavior evaluated by cyclic voltammetry showed some significant differences. Finally, a linear discriminant analysis based on chemical and antioxidant data allowed for differentiating the samples depending on the type of by-product, type of vinification, and variety.
From the Lab to the River: Bimetallic Clinoptilolite Photocatalyst for Antibiotic-resistant Bacteria and Emerging Contaminants Removal
(Elsevier, 2025) Prieto Laria, Paula; Jiménez-Rodríguez, Antonia Mercedes; Ruiz-Salvador, A. Rabdel; Canosa, Inés; Flores, Amando; Coll, Yamilet; Borrego, Katia; Nuñez, Nuria O.; Alonso Álvarez, Esteban; Fernández Ibáñez, Pilar; Farias, Tania; Ballesteros, Menta; Química Analítica; European Commission (EC). Fondo Europeo de Desarrollo Regional (FEDER); Junta de Andalucía
The presence of contaminants of emerging concern and antibiotic-resistant bacteria in aquatic environments is a major global challenge. Heterogeneous photo-Fenton-type treatments have proven effective; however, affordable and sustainable catalysts are needed to address real-world water treatment challenges. For the first time, we report the efficacy of a heterogeneous bimetallic Fe-Cu clinoptilolite catalyst, which can remove up to 29 contaminants of emerging concern (pharmaceuticals, metabolites, industrial products, herbicides and insecticides) at concentrations ranging from 6.38 to 2358 ng/L, and inactivate naturally occurring bacteria (Escherichia coli and total coliforms) from Guadaíra River water (Spain) to the detection limit of 1 CFU/100 mL. Heterogeneous photo-Fenton (1 g/L of NZ-Fe-Cu catalyst, 2.9 mM H2O2 and visible light: 410–710 nm / 9 W/m2) was the selected method for treating real river water. The successful synthesis of the material was demonstrated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM/EDX). DR-UV-Vis measurements allowed the estimation of the optical band gap, which was used to evaluate the photocatalytic performance of the bimetallic zeolite. X-ray photoelectron spectroscopy (XPS) allowed the determination of the charge of iron and copper cations in the zeolite. The photocatalytic mechanism of this new material was investigated, including hydroxyl radical detection, reusability, and stability (Fe- and Cu-leaching tests). Complete inactivation of antibiotic-resistant bacteria Pseudomonas aeruginosa and Staphilococcus aureus (initial concentration ≈ 106 CFU/mL) without further regrowth for 24 h was achieved. These results highlight the potential of this new catalyst for the decontamination and disinfection of river water, supporting its suitability for reclaimed water in agricultural irrigation and its promising applicability in broader wastewater treatment applications.
Efficient Removal of Tetracyclines and Their Metabolites from Wastewater Using Purified Stevensite: Adsorption Capacity, Reusability, and Antibiotic Decontamination
(MDPI, 2025) García-Criado, Noelia; Martín-Pozo, Laura; Martín Bueno, Julia; Santos Morcillo, Juan Luis; Aparicio Gómez, Irene; Alonso Álvarez, Esteban; Química Analítica
Background/Objectives: The persistence of tetracycline residues in aquatic environments poses substantial risks to ecosystems and public health, emphasizing the need for effective removal strategies. This study examines the use of purified stevensite (ST), a natural clay mineral, as an efficient and cost-effective adsorbent for removing tetracycline antibiotics from contaminated water. Methods: Batch experiments were conducted to assess the adsorption kinetics, isotherms, and influence of environmental factors. Material characterization studies were performed before and after tetracycline adsorption. Results: ST demonstrated optimal removal efficiency at an acidic pH, achieving over 99% elimination of both tetracyclines and their metabolites at an adsorbent dose of 2 g L−1 and antibiotic concentration of 5 mg L−1. Equilibrium was reached within 30 min. Regeneration experiments confirmed that ST retained over 90% of its adsorption capacity after five adsorption–desorption cycles. Surface characterization revealed that ST’s large surface area, high cation exchange capacity, and potential for hydrogen bonding may explain its high adsorption capabilities. The material was tested on real samples of tap water, surface water, and wastewater, demonstrating an effective removal rate over 99%. Conclusions: With its high efficiency, low cost and favourable reusability, purified ST is a promising option for large-scale wastewater treatment, contributing to safer water resources and improved environmental protection.
Combining FTIR on-device Strategies for Continuous Analysis of Virgin Olive Oil, Avocado Oil, and lipid Matrices Degradation
(Elsevier, 2025) Lobo Prieto, Ana; Tena Pajuelo, Noelia; Aparicio Ruiz, Ramón; Morales Millán, María Teresa; García González, Diego L.; Química Analítica; Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Junta de Andalucía
Fourier transform infrared (FTIR) spectroscopy is a highly effective technique for monitoring chemical changes in edible oils throughout their shelf life. This study combined FTIR accessories with different incubation procedures to track the degradation of virgin olive and avocado oils under moderate temperature (35 ◦ C) and light exposure from the early stages. The FTIR procedures were also tested with lipid standards that were used as molecular models and subjected to the same incubation conditions. While conventional ATR-FTIR analysis of off- site incubated samples revealed only minor spectral changes, on-device strategies—temperature-controlled ATR- FTIR and mesh cell-FTIR—enabled continuous spectral acquisition, with key spectral bands appearing on scale, informing on the oil susceptibility to degradation caused by mild heating and photooxidation. The combination of these techniques provided comprehensive insights of the chemical changes. One technique (ATR-FTIR) detected changes in triacylglycerol bands, while the other (mesh cell-FTIR) highlighted oxidation-related absorptions. Notably, bands associated with hydroperoxides, free fatty acids, and cis double bonds exhibited the highest formation rate slopes. Compared to edible oils, triolein showed fewer spectral changes, with free fatty acid slopes in oils being 16 times higher. These findings emphasize the influence of minor compounds on the spectral behavior of oils when exposed to light and mild heat.
Automatised Online SPE-LC-MS/MS Method for the Enantioselective Determination of Chiral β-blockers and Antidepressants in Wastewater
(Elsevier, 2025) Arenas Molina, Marina; Martín Bueno, Julia; Santos Morcillo, Juan Luis; Aparicio Gómez, Irene; Alonso Álvarez, Esteban; Química Analítica; Junta de Andalucía; Ministerio de Ciencia, Innovación y Universidades (MICIU). España
Background: Pharmacologically active compounds are emerging pollutants of greatest concern because of their continuous release to the aquatic media and potential effects on non-target organisms. Nevertheless, in spite that many pharmaceuticals are chiral compounds which enantiomers may have different environmental behaviour and effects, their enantiomeric determination has been scarcely evaluated. This fact can be explained by the great challenge to overcome when developing an analytical method for the individual determination of compounds with the same physical-chemical properties, as it is the case of enantiomers. Results: In this work, an automatised method based on online solid phase extraction (SPE) coupled to liquid chromatography-tandem mass spectrometry (LC-MS/MS) was optimised and validated for the enantiomeric determination of highly prescribed (β-blockers (atenolol, metoprolol and propranolol), antidepressants (citalopram, fluoxetine, sertraline, duloxetine and venlafaxine) and two of their metabolites in influent and effluent wastewater. Three of them (metoprolol, citalopram and venlafaxine) have been recently included in the European Union Directive 2024/3019 as substances that should be measured in wastewater. Method quantification limits in the range from 0.1 to 50 ng L 1 for most compounds. Accuracy ranged from 60.8 to 114 % and precision, expressed as relative standard deviation, was lower than 12.5 % for all the compounds. Method application to wastewater samples revealed the presence of the target compounds at concentrations between 1.06 and 1213 ng L and a preferential degradation of some enantiomers: S-( )-atenolol, metoprolol-E1, venlafaxine-E1 and O-desmethylvenlafaxine-E1. Significance and novelty: This method is the first one for online SPE-chiral-LC-MS/MS determination of two therapeutic groups of chiral pharmaceuticals in wastewater. The method allows their automatised enantiomeric determination, including sample treatment, SPE column wash and conditioning, and LC-MS/MS determination, in 40 min with enantioresolution from 0.51 to 1.24. The online SPE method developed provides a fast way to obtain information about chiral compounds in wastewater reducing labour intensity, exposure to organic solvents, analyte loss and plastic waste.
Clay Nanomaterials Sorbents for Cleaner Water: A Sustainable Application for the Mining Industry
(Multidisciplinary Digital Publishing Institute (MDPI), 2025-08-07) Molina-Fernández, María; Santos Silva, Albert; Prado Feitosa, Rodrigo; Silva-Filho, Edson C.; Osajima, Josy A.; Medina-Carrasco, Santiago; Orta Cuevas, María del Mar; Química Analítica; Universidad de Sevilla
The increasing shortage of drinking water, driven by reduced rainfall and the intensification of industrial and agricultural activities, has raised justified concerns about the quantity and quality of available water resources. These sectors not only demand high water consumption but also discharge large amounts of toxic substances such as organic matter, metal ions and inorganic anions, posing risks to both public health and the environment. This study evaluated the effectiveness of clay-based nanomaterials in the treatment of contaminated industrial wastewater from the mining sector. The materials tested included montmorillonite, high-loading expandable synthetic mica, and their organically functionalized forms (MMT, Mica-Na-4, C18-MMT, and C18-Mica-4). The experimental results show that these clays had minimal impact on the pH of the water, while a notable decrease in the chemical oxygen demand (COD) was observed. Ion chromatography indicated an increase in nitrogen and sulfur compounds with higher oxidation states. Inductively coupled plasma analysis revealed a significant reduction in the calcium concentration and an increase in the sodium concentration, likely due to cation exchange mechanisms. However, the removal of copper and iron was ineffective, possibly due to competitive interactions with other cations in the solution. Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) confirmed the structural modifications and interlayer spacing changes in the clay materials upon exposure to contaminated water. These findings demonstrate the potential of clay minerals as effective and low-cost materials for the remediation of industrial wastewater.
Potential Application of a Synthetic Organo-funtionalized High Load Expandable Mica as Drug Carrier for Controlled Release.
(Bentham Science Publishers, 2021) Orta Cuevas, María del Mar; Maisanaba Hernández, Sara; Medina Carrasco, Santiago; Jos Gallego, Ángeles Mencía; Química Analítica; Nutrición y Bromatología, Toxicología y Medicina Legal
Background: In this work the cytotoxicity and gastric and gastrointestinal resistance of a high-load synthetic expandable mica, Na-mica-4, is studied for the first time. The hydrophilic character of this clay mineral can be modified by ion exchange reaction between Na+ inorganic cations housed in the interlayer space, and surfactant molecules, resulting in the formation of an organophilic material. This adsorption capability of organic compounds makes them very useful for a wide range of applications, such as their use as drug carriers. Previous studies have shown the high adsorption capacity of organofunctionalized Na-mica-4 of different types of drugs. Objetive: To carry out initial trials aimed at testing the cytotoxicity of a synthetic organofunctional expandable mica and evaluating its resistance to gastric and gastrointestinal digestion. Methods: A highly charged sodium mica (Na-mica-4) was synthesized and organofunctional by cationic exchange with an alkylamine, primary amine of 18 carbon atoms (C18-mica-4). Both were characterized by X-ray diffraction, field transmission electron microscopy, surface-specific analysis, differential scanning calorimetry, and thermal gravimetric analysis. In addition, screening cytotoxicity trials were conducted on the human intestinal cell line Caco-2 with C18-mica-4 (0-125 μg/ml). Results: Only one of the endpoints evaluated (the reduction of tetrazolium MTS salt by dehydrogenase enzymes) showed a significant decrease in cellular viability after 48h at the highest concentration tested. C18-mica-4 shows structural resistance to both, gastric and gastrointestinal, digestion. Conclusion: A successful development of a functionalized mica has been made with a promising potential application as a carrier to the drug.
Dietary freeze-dried beer prevents inflammation in DSS-induced chronic ulcerative colitis in mice
(Royal Society of Chemistry, 2025-07-01) Paredes Sánchez, María; Muñoz García, Rocío; Ávila Román, Francisco Javier; Lobo Prieto, Ana; Orta Cuevas, María del Mar; García González, Diego L.; Vázquez Román, María Victoria; Talero Barrientos, Elena Mª; Sánchez Hidalgo, Marina; Farmacología; Química Analítica; Citología e Histología Normal y Patológica
Inflammatory bowel disease (IBD) is a complex condition that is influenced by numerous factors, including genetic, immune and environmental factors. In the search for new therapies, nutritional interventions including dietary polyphenols are becoming increasingly important in the management of IBD. The present study aimed to investigate the antioxidant and anti-inflammatory effects of commercial freeze-dried beer, an interesting product resulting from the fermentation of cereals, rich in polyphenols, in (I) an in vitro model of inflammation using lipopolysaccharide (LPS)-stimulated THP-1 human derived macrophages and (II) a murine dextran sodium sulfate (DSS)-induced chronic colitis model, for elucidating the action mechanism involved. According to the results, commercial freeze-dried beer exhibits antioxidant, anti-inflammatory and immunomodulatory properties in LPS-stimulated THP-1 human macrophages by reducing reactive oxygen species (ROS), tumor necrosis factor (TNF)-α and interleukin (IL)-6 levels. Moreover, in vivo results showed that preventive treatment with dietary freeze-dried beer improved murine DSS-induced chronic colitis by attenuation of the clinical and histological signs of colonic damage. Colonic cytokine levels in animals fed with commercial freeze-dried beer reached values near basal levels. In addition, pro-inflammatory cyclooxygenase (COX)-2 and microsomal prostaglandin E synthase (mPGES)-1 protein expressions were significantly downregulated via inhibition of nuclear transcription factor kappa B (NF-κB) translocation. This inhibition may be mediated by an induction of the antioxidant nuclear factor (erythroid-derived 2)-like 2 (Nrf2)/heme oxygenase-1 (HO-1) signaling pathway and a reduction of signal transducer and activator of transcription (STAT)-3 phosphorylation orchestrating its potent anti-inflammatory and immunomodulatory effects. Overall, our results suggest that dealcoholized beer may be effective in the management of immune-mediated inflammatory diseases in which macrophages are crucial, including IBD, providing clues for developing useful dietary interventions against inflammation-associated pathologies.
Feasibility Assessment on the Use of Near Infrared Hyperspectral Imaging for the Screening of Vitamin C Content and Total Soluble Solids in Strawberries
(Elsevier, 2025) Baca Bocanegra, Berta; Espinar García, Ana Isabel; Hernández Hierro, José Miguel; Escudero Gilete, María Luisa; Nogales Bueno, Julio; Química Analítica; Nutrición y Bromatología, Toxicología y Medicina Legal
At market, strawberries are usually picked based on their external attributes, basically surface color. However, internal parameters are also important for the final quality of the fruit and, therefore, can strongly influence acceptance by consumers. The development of analytical methods that allow the evaluation of the strawberry internal quality in a rapid, cost-effective and environmentally friendly way will improve competitiveness in the fruit industry and profitability at markets. In this study, a feasibility assessment on the use of near infrared hyperspectral imaging for the control of the internal quality of strawberries from Huelva (an important strawberry exporting region) has been carried out. For it, modified partial least square regressions have been performed for the screening of vitamin C and total soluble solids. The standard errors of prediction in external validation (4.71 mg/100 g and 1.28 °Brix respectively) demonstrate the potential of the analyzed technique for the proposed objective.
Chemical Society y Pharmaceutical Society of Great Britain: vidas paralelas
(Real Academia Nacional de Farmacia, 2024-06-30) García Asuero, Agustín; Química Analítica
En esta memoria se pasa revista a la creación e inicios de dos importantes,Sociedades científicas, la “Chemical Society of London”, y la “Pharmaceutical,Society of Great Britain”. Se advierte la semejanza en cuanto a su punto de partida,y establecimiento de objetivos concretos, e.g., la práctica de la química. Se,observan las diferencias en los criterios de admisión, más restrictivos por parte,de la “Chemical Society”. Ambas sociedades son fruto del proceso de,diferenciación de la ciencia, y de la reafirmación del sentir profesional y de los,derechos asociados a la práctica del oficio. Se pasa revista a personajes clave, en,los dos casos, resaltando en el de la “Chemical Society” la influencia alemana en,la química británica. La búsqueda de una sede que satisfaga las necesidades,materiales y el cumplimiento de las misiones encomendadas supone un largo,peregrinaje. La “Chemical Society of London” pasa a convertirse pronto en la,“Chemical Society” y más tarde pasa a formar la “Royal Society of Chemistry”. La,“Pharmaceutical Society of Great Britain” pasa a convertirse en el transcurso de,los años en la “Royal Pharmaceutical Society”.
Novel Bacterial Strains for Nonylphenol Removal in Water and Sewage Sludge: Insights from Gene Expression and Toxicity
(MDPI, 2025-06-06) Lara Moreno, Alba; Aguilar Romero, Inés; Madrid, Fernando; Villaverde, Jaime; Carlier, Jorge D.; Santos Morcillo, Juan Luis; Alonso Álvarez, Esteban; Morillo, Esmeralda; Microbiología y Parasitología; Química Analítica; Junta de Andalucía; European Union (UE); Fundação para a Ciência e a Tecnologia. Portugal
4-Nonylphenols (4-NPs) are persistent endocrine disruptors frequently found in wastewater treatment plant (WWTP) effluents and sewage sludge. This study evaluated the ability of eight bacterial strains that were isolated from sewage sludge to degrade 4-n-NP in an aqueous solution. Bacillus safensis CN12, Shewanella putrefaciens CN17, and Alcaligenes faecalis CN8 showed the highest degradation rates, removing 100%, 75%, and 74% of 4-n-NP (10 mg L⁻1), with DT50 values of 0.90, 8.9, and 10.4 days, respectively. Despite the reduction in 4-n-NP concentrations, ecotoxicity assays revealed that the resulting transformation products (TPs) were more toxic than the parent compound. To investigate the potential degradation mechanisms, in silico and gene expression analyses were conducted on B. safensis CN12, revealing a significant upregulation of the multicopper oxidase gene, cotA (7.25-fold), and the ring-cleaving dioxygenase gene, mhqO (13.9-fold). Although the CN12 strain showed potential for mineralization based on gene expression studies, this was not observed in the aqueous solution. However, when 4-n-NP was adsorbed on sludge and treated with CN12 in the presence of hydroxypropyl-β-cyclodextrin (HPBCD) as a bioavailability enhancer, mineralization reached up to 33%, indicating a synergistic effect with the native sludge microbiota.
Curcumin-Loaded High-Charge Swelling Synthetic Mica: Characterization Studies and Stability under Stress Conditions
(American Chemical Society (ACS), 2025-05-23) Orta Cuevas, María del Mar; Fernández Romero, Ana María; Rabasco Álvarez, Antonio María; Medina Carrasco, Santiago; González Rodríguez, María Luisa; Química Analítica; Farmacia y Tecnología Farmacéutica; Universidad de Sevilla
Curcumin (Cur) is a bioactive compound with various pharmacotherapeutic effects. However, its limited solubility and stability pose challenges for therapeutic applications. Clay minerals, such as montmorillonite (MMT) and high-charge swelling synthetic micas, show promise as drug carriers due to their properties. This study aimed to obtain complexes with clay minerals that could enhance the stability of Cur. MMT, Na-Mica-4, and the latter organofunctionalized with 18-carbon alkylamines (C18-Mica-4) were used as support for Cur. Adsorption studies showed that Na-Mica-4 exhibited the highest percentage of adsorption (60%). Cur-Mica-4 complexes were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermal analysis (DSC and TGA), specific surface area (BET), pore size and volume determinations, and surface charge determination by zeta potential measurement. The effect of light on Cur and Cur-Mica-4 complexes was also evaluated. Forced degradation studies were performed under hydrolytic, oxidative, photolytic, and thermal conditions to assess the stability and degradation pathways. The FTIR spectra indicated that the enol tautomer mainly formed part of the complexes. BET analysis showed a reduced pore size after adsorption, indicating Cur immobilization. TGA and scanning electron microscopy (SEM) suggested degradation primarily occurring under exposure to sunlight, heat, and ultraviolet light. The effect of acidic and basic conditions on the Cur-Mica-4 complex was evaluated. Under acidic conditions, a decrease in the specific surface area of the complex was observed, suggesting the formation of larger configurational structures. An increase in the specific surface area with a smaller pore size was observed in the basic medium, possibly due to the formation of new structures in the clay minerals, supported by XRD results. These findings indicate that the pH of the medium can significantly influence the structure and stability of the Cur-Mica-4 complex, which could have important implications for its application in specific environments, such as drug delivery systems.
Enantioselective toxicity of propranolol on marine diatoms: Assessing growth, energy metabolism and oxidative damage in Phaeodactylum tricornutum
(Elsevier , 2025) Arenas, Marina; Feijão, Eduardo; Duarte, Irina A; Fonseca, Vanessa F.; Aparicio Gómez, Irene; Alonso Álvarez, Esteban; Química Analítica; Fundação para a Ciência e a Tecnologia (FCT). Portugal
Concern about the presence of pharmaceuticals in aquatic systems has increased in recent years owing to their continued release and the impact they may have on non-target organisms. Over half of these pharmaceuticals are chiral, with enantiomers that may have different pharmacokinetics and effects. However, most studies on their toxicity in marine biota have used racemic mixtures, ignoring the effects of isolated enantiomers. This work examines the potential enantioselective toxic effects of the chiral β-blocker propranolol, widely prescribed for cardiovascular diseases and migraines, and increasingly concerning due to its long-term use and raising consumption. This study used the diatom Phaeodactylum tricornutum as a model organism to assess the effect of each enantiomer on growth, photosynthesis, energy metabolism, and oxidative damage. The results showed that exposure of diatoms to R-propranolol induced growth inhibition due to deficiencies in photochemical metabolism, which was reflected in changes in the photosynthetic pigment profile. Oxidative stress also occurred in cells, resulting in lipid oxidation and DNA damage. In contrast, such effects were not observed for the S-enantiomer at the tested concentrations. This work shows the importance of considering enantiomer-specific effects in ecotoxicological assessments, as the two PRO enantiomers exhibit different toxicities in marine diatoms.
Rapid determination of phenylalanine and tyrosine in volumetrically collected dried blood spots using fully automated processing and analysis by capillary electrophoresis
(Elsevier, 2025-03-01) Aranda Merino, Noemí; Dvořák, Miloš; Kubáň, Pavel; Química Analítica; Czech Science Foundation; Czech Academy of Sciences
An off-the-shelf Agilent 7100 capillary electrophoresis (CE) instrument was employed for the automated processing and analysis of dried blood spots (DBSs) collected by Capitainer®B volumetric devices. Solutions for DBS elutions were transferred directly into CE vials through a separation capillary by the application of an auxiliary nitrogen gas connected to the external pressure line of the CE instrument. This allowed for liquid handling at pressures up to 15 bar and enabled the use of a single capillary for rapid DBS processing and efficient CE separations. The resulting DBS eluates were at-line injected into a short capillary end, which served for improved instrumental simplicity and short CE analysis times. The current set-up necessitated neither hardware nor software adjustments of the CE instrument, except for the connection of a gas cylinder to an in-built connector. The novel features presented in this study (DBSs with exact blood volumes, high external pressures, and short-end injections) were used for the automated determination of clinically relevant markers, phenylalanine (Phe) and tyrosine (Tyr), in DBS samples. Sensitive and selective Phe and Tyr quantification was achieved by CE-UV in 375 mM formic acid and 0.01 % (v/v) Tween 20 (pH 2.09) as a background electrolyte. The total processing and analysis times per one DBS were <1.5 and 4.5 min, respectively, in a sequence of 36 DBSs, and resulted in a sample throughput of >10 DBSs per hour. The intra- and inter-day repeatability values were better than 5.9 and 1.1 % RSD for peak areas and migration times, respectively, and calibration curves were linear in the 20–3000 μM (Phe) and 20–250 μM (Tyr) range (R2 ≥ 0.9973). The limits of detection were ≤2 μM and enabled the determination of endogenous Phe and Tyr concentrations as well as elevated Phe concentrations and Phe/Tyr ratios, which are the typical markers for neonatal phenylketonuria screening.
Functionalization of a clay mineral with Sn species for anti-inflammatory removal
(Elsevier, 2025-04-19) Gomes Oliveira, Lucilane; França, Denise B.; Oliveira, Luís H. de; Osajima, Josy A.; Silva-Filho, Edson C.; Sainz-Díaz, Ignacio; Medina-Carrasco, Santiago; Orta Cuevas, María del Mar; Fonseca, Maria G.; Química Analítica; Universidad de Sevilla
Diclofenac is one of the most detected drugs in aquatic environments, however, it can be removed through adsorption. In the present study, sodium bentonite (Na-Bent) was functionalized with an Sn species by reaction between the clay and aqueous SnCl2 solutions (0.01, 0.05 and 0.10 mol L-1), and used as new adsorbents for diclofenac. X-ray diffraction patterns with Rietveld refinement analysis indicated the presence of hydrated SnO2 or Sn(OH)4 nanoparticles in the samples. SnO2 content in the samples were 12.8, 32.4, and 45.0 % for Sn0.01-, Sn0.05- and Sn0.10-Bent, respectively. The specific surface area of the samples increased, reaching 194 m2 g−1 for Sn0.1-Bent. X-ray photoelectron spectroscopy (XPS) suggested the presence of Sn (IV) species in Sn-Bent. The adsorption isotherms indicated high drug adsorption, reaching 106.1 and 105.5 mg g−1 for Sn0.05- and Sn0.10-Bent samples, respectively. Fourier transform infrared (FT-IR) spectroscopy and XPS analyses showed an interaction between the carboxylate group of diclofenac sodium and the Sn species in the Sn-Bent samples. Artemia salina tests indicated that Sn0.10-Bent was not toxic, and all samples showed good stability during diclofenac adsorption at pH 6. Therefore, Sn-Bent samples behaved as environmentally friendly adsorbents for the removal of diclofenac.

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