Química Analítica, Nutrición e Bromatoloxía

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Determination of toxicity equivalent factors for paralytic shellfish toxins by electrophysiological measurements in cultured neurons
(American Chemical Society, 2011-07-18) Pérez, Sheila; Vale González, María del Carmen; Botana López, Ana María; Alonso, Eva; Rodríguez Vieytes, Mercedes; Botana López, Luis Miguel; Universidade de Santiago de Compostela. Departamento de Farmacoloxía, Farmacia e Tecnoloxía Farmacéutica; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Departamento de Fisioloxía
The establishment of toxicity equivalent factors to develop alternative methods to animal bioassays for marine-toxin detection is an urgent need in the field of phycotoxin research. Paralytic shellfish poisoning (PSP) is one of the most severe forms of food poisoning. The toxins responsible for this type of poisoning are highly toxic natural compounds produced by dinoflagellates, which bind to voltage-gated Na+ channels causing the blockade of action potential propagation. In spite of the fact that several standards of PSP toxins are currently commercially available, there is scarcity of data on the biological activity of these toxins, a fact that limits the calculation of their toxicity equivalent factors. We have evaluated the potency of the commercial PSP toxin standards for their ability to inhibit voltage-dependent sodium currents in cultured neuronal cells by electrophysiological measurements. The in vitro potencies of the PSP toxin standards as indicated by their IC50 values were in the order Neosaxitoxin (NeoSTX) > decarbamoylsaxitoxin (dcSTX) > saxitoxin (STX) > gonyautoxin 1,4 (GTX1,4) > decarbamoylneosaxitoxin (dcNeoSTX) > gonyautoxin 2,3 (GTX2,3) > decarbamoylgonyautoxin 2,3 (dcGTX2,3) > gonyautoxin 5 (GTX5) > N-sulfocarbamoyl-gonyautoxin-2 and -3 (C1,2). The data obtained in this in vitro analysis correlated well with their previously reported toxicity values.
Hindered amine light stabilizers in indoor dust: method development and occurrence
(Springer, 2026-05-05) Castro Varela, Gabriela; Pereiro, Pablo; Santos Rodríguez, Ysabel; Perín, Mauricio; Rodríguez Pereiro, Isaac; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Instituto de Investigación do Medio Acuático para Unha Saúde Global (iARCUS); Universidade de Santiago de Compostela. Departamento de Microbioloxía e Parasitoloxía
Hindered amine light stabilizers (HALS) are polymer additives extensively used to improve the durability of plastic materials by inhibiting degradation induced by ultraviolet radiation. Due to their effectiveness, HALS are incorporated into a wide variety of polymeric products intended for both indoor and outdoor applications. However, because these compounds are not chemically bound to the polymer, they can be released into the environment through processes such as volatilization, abrasion, and dissolution. As a result, HALS may accumulate in dust and other environmental matrices. Their occurrence in indoor and outdoor dust raises concerns regarding environmental persistence and potential human exposure, underscoring the need for robust and sensitive analytical methods for their determination. In this study, a new analytical methodology for the determination of HALS in dust samples was developed and optimized. Different sample preparation techniques, including matrix solid-phase dispersion (MSPD), pressurized liquid extraction (PLE), and ultrasound-assisted extraction (UAE), were evaluated with the aim of improving extraction efficiency while minimizing matrix effects. Quantitative analysis was performed using liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) equipped with a triple quadrupole (QqQ) mass analyzer, providing high sensitivity and selectivity. The optimized procedure was subsequently applied to dust samples collected from various indoor environments to investigate the occurrence and distribution of HALS. These findings contribute to a better understanding of HALS contamination in dust and associated human exposure pathways.
Optimization, validation and application of a novel multiresidue method for prioritization of contaminants of emerging concern in biosolids
(Elsevier, 2026-04-30) Barros Soto-Quiroga, Andrés; Castro Varela, Gabriela; Ramil Criado, María; Rodríguez Pereiro, Isaac; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Instituto de Investigación do Medio Acuático para Unha Saúde Global (iARCUS)
Biosolids generated during municipal wastewater treatment are a source of organic matter and essential macronutrients, making them valuable to increase the fertility of soils. However, they also contain variable concentrations of micropollutants, particularly pharmaceuticals, which can pose environmental risks. An analytical methodology based on QuEChERS extraction and LC-MS/MS analysis was optimized and applied to the determination of 59 micropollutants, with large variations in their polarities and different uses, in biosolids from sewage treatment plants (STPs). Extraction efficiencies above 80%, and moderate variations in the efficiency of electrospray ionization were achieved for most of the target analytes in biosolids from different STPs. The accuracy of the final method ranged from 80% to 120% for 57 out of 59 micropollutants, with limits of quantification between 1 and 5 ng g−1, except for chlorhexidine (50 ng g−1). Forty-nine pollutants showed detection frequencies above 70%, with thirty-six compounds quantified in 100% of biosolids from 27 STPs. Biocides and psychiatric drugs represented more than 75% of residues in biosolids, with average accumulated concentrations of 5149 and 2425 ng g−1 (dry weight, d.w.), respectively. Within the first group, the maximum concentrations of azithromycin and chlorhexidine stayed above 2300 ng g−1 and 11,000 ng g−1 d.w., respectively. Ecological risk assessment of biosolids-amended soils identified fifteen compounds whose potential leaching into aquatic environments warrants further investigation. Significative accumulation in biosolids of several pharmaceuticals listed in the Wastewater Directive must be considered together, with their residues in raw and treated wastewaters, to estimate their real removal at STPs.
Analytical challenges and occurrence of antibiotics in biosolids from municipal sewage treatment plants in North Spain
(Elsevier, 2026-04-24) Barros Soto-Quiroga, Andrés; Castro Varela, Gabriela; Ramil Criado, María; Rodríguez Pereiro, Isaac; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Instituto de Investigación do Medio Acuático para Unha Saúde Global (iARCUS)
Antibiotics are among the most concerning pharmaceutical contaminants released from municipal sewage treatment plants (STPs), occurring both in treated effluents and in dewatered biosolids. This study examines key analytical challenges during the determination of ten antibiotics in sewage wastes using liquid chromatography–tandem mass spectrometry (LC-MS/MS). Furthermore, results of their distribution in dewatered biosolids from different STPs are presented. Fluoroquinolones were identified as the most problematic compounds due to sorption on glassware, strong interaction with sample matrix, and signal suppression effects during LC-MS/MS analysis. Optimized extraction, based on sonication of freeze-dried samples with a buffered acetonitrile–water solution (pH 4.4, 1:1), yielded average recoveries between 74% and 108%, with moderate variability across sludge types. During simultaneous quantification of multiclass antibiotics, fluoroquinolones exhibited moderate to high signal attenuation depending on the matrix. For this group of compounds, signal suppression could be mitigated by fractionating extracts using mixed-mode (reversed phase and cation exchange) sorbents. Combined with isotopically labelled surrogate standards, solvent based calibration enabled accurate quantification of all targeted compounds, achieving limits of quantification below 5 ng g⁻¹. Azithromycin, clarithromycin, norfloxacin, ciprofloxacin and ofloxacin were ubiquitous in dewatered biosolids, with median concentrations ranging from 7 ng g-1 (clarithromycin) to 1761 ng g-1 (ofloxacin). A mass balance assessment of emissions through treated wastewater and biosolids highlighted azithromycin, ciprofloxacin, norfloxacin, and ofloxacin as the priority antibiotics for monitoring in final dewatered solid waste streams (biosolids) from STPs.
Preserving colour and texture in canned Atlantic chub mackerel: Influence of high-pressure processing and frozen storage
(Elsevier, 2026-01) Guerra Rodríguez, Esther; Cazón Díaz, Patricia; Aubourg Martínez, Santiago Pedro; Vázquez Vázquez, Manuel; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
Atlantic chub mackerel (Scomber colias), a nutritionally valuable yet highly perishable species, is prone to quality degradation during frozen storage and canning. This study evaluated the effects of high-pressure processing (HPP; 200–600 MPa) applied prior to freezing (−30 °C, 48 h), followed by frozen storage (−18 °C for 0, 3, 6, 10, or 15 months), canning, and post-canning storage (3 months at 20 °C), on the mechanical properties and colour of mackerel muscle. The aim of the study was to assess whether HPP can mitigate quality losses typically associated with long-term frozen storage and thermal processing. HPP initially reduced hardness and chewiness due to partial protein denaturation, but after storage and canning, samples treated at 200 and 600 MPa exhibited enhanced hardness, chewiness, and cohesiveness compared to untreated controls, suggesting structural reorganization over time. Adhesiveness decreased with pressure and storage, indicating greater compactness, while chewiness was best preserved at 600 MPa. CIELAB colour analysis revealed that HPP influenced visual appearance during storage. Lightness (L*) was best preserved at 200 MPa, while 600 MPa samples became darker, possibly due to pigment concentration or tissue compaction. Redness (a*) and yellowness (b*) also varied with pressure and storage duration, though less markedly. Overall, applying HPP prior to freezing enhanced the long-term quality of canned mackerel, supporting its potential as a pre-treatment strategy to preserve texture and appearance. These findings promote a better utilization of pelagic species and improved consumer appeal in the canned seafood industry.
Kinetic modelling of texture and colour changes in frozen fish: effect of high pressure processing as a pre-freezing treatment
(Elsevier, 2026-04) Guerra Rodríguez, Esther; Cazón Díaz, Patricia; Aubourg Martínez, Santiago Pedro; Vázquez Vázquez, Manuel; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
High pressure processing (HPP) is a promising technology for improving food safety and extending shelf life. This study examined the effects of HPP (150 MPa, 2 min) followed by frozen storage at −10, −18, or −30 °C on the texture and colour of European hake (Merluccius merluccius) over 12 months. Texture parameters (toughness and firmness) were assessed in raw and cooked samples, along with instrumental colour (L∗, a∗, b∗). Results showed that storage time generally increased toughness and firmness, though this trend stabilized or reversed after 6 months. Lower storage temperatures, particularly −30 °C, better preserved textural properties. HPP-treated fish showed higher initial toughness and firmness, suggesting enhanced structural integrity and improved texture retention during storage. Colour stability was also greater in HPP-treated samples, with reduced discoloration and better maintenance of lightness (L∗) over time. Overall, combining HPP with storage at −18 or −30 °C effectively preserves both the structural and visual quality of frozen hake, offering a promising strategy for shelf-life extension.
Profiling Croatian Whisky Using GC/MS-MS and UHPLC-QTOF
(MDPI, 2025-03-04) Lončarić, Ante; Castillo Zamora, Aly Jesús; Celeiro Montero, María; Miličević, Borislav; Bušić, Hrvoje; Anadolac, Tomo; Gotal Skoko, Ana-Marija; Lores Aguín, Marta; Universidade de Santiago de Compostela. Centro Interdisciplinar de Investigación en Tecnoloxías Ambientais (CRETUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
This study investigates the chemical profiling of Croatian whisky using advanced analytical techniques: Solid-phase microextraction followed by gas chromatography coupled to mass spectrometry (SPME-GC-MS) and ultra-high-performance liquid chromatography quadrupole time-of-flight (UHPLC-QTOF). To our knowledge, there are no studies on profiling Croatian whiskies to date. Therefore, the primary objective is to identify and quantify the volatile and non-volatile compounds contributing to the flavor and aroma profile of Croatian whisky. The methods applied included sample preparation, extraction, and subsequent analysis using these advanced analytical techniques. The results revealed a diverse range of compounds, including esters, alcohols, phenols, and acids, which are integral to the whisky’s sensory characteristics. Furthermore, key volatile and non-volatile compounds were identified in Croatian whiskies, revealing a complex aromatic profile influenced by compounds like D-limonene, linalool, and β-damascenone, which contribute citrus, floral, and fruity notes. The findings also highlighted compounds associated with aging, such as esculetin and ellagic acid, which enhance flavor complexity and emphasized the role of maturation, grain type, and production methods in shaping the unique sensory characteristics of Croatian whiskies. This study concludes that SPME-GC-MS and UHPLC-QTOF are effective tools for the detailed chemical profiling of whisky, providing valuable insights for quality control and product differentiation in the whisky industry.
Integrated computational fluid dynamics and experimental evaluation of a tubular membrane photoreactor for UVC-driven advanced oxidation at bench- and pilot-scale
(Elsevier, 2026-04-13) Santos, Carla S.; Marrocos, Paulo H.; Passalía, Claudio; Labas, Marisol D.; Brandi, Rodolfo J.; Montes Goyanes, Rosa; Quintana Álvarez, José Benito; Gomes, Ana I.; Vilar, Vítor J. P.; Universidade de Santiago de Compostela. Instituto de Investigación do Medio Acuático para Unha Saúde Global (iARCUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
This study combines computational fluid dynamics (CFD) simulations and experimental data to examine the hydrodynamic and photonic behavior of tubular membrane photoreactors operated under UVC and UVC/persulfate (UVC/PDS) conditions for the removal of organic micropollutants (OMPs). At bench-scale, CFD simulations revealed that the tangential inlet generated a helical flow pattern in the annular reaction zone (ARZ), promoting interaction between radial and axial velocity components. The effect of reflective surfaces on photon delivery was evaluated across three configurations: no reflector and one- and three-sided reflectors (N = 1 and N = 3). Reflective surfaces increased photon delivery to the ARZ, with the N = 3 configuration providing the highest optical efficiency and the best photolytic removal of the selected OMP in both demineralized water (DW) and conventional activated sludge (CAS) effluent. Based on these findings, a pilot-scale reactor preserving the same cross-sectional geometry and incorporating the N = 3 reflector was evaluated. Residence time distribution (RTD) experiments indicated a non-ideal plug flow with moderate axial dispersion, while CFD confirmed the persistence of the characteristic helical flow pattern. Under UVC alone, venlafaxine (VLX) removal remained limited, whereas under UVC/PDS operation removal exceeded 85% across all evaluated conditions. Simulations of the local volumetric rate of photon absorption (LVRPA) and spatial species distributions revealed a strong correlation between photon availability, oxidant distribution, and OMP degradation along the reactor length. These results provide valuable insights into the design of tubular membrane photoreactors and support their applicability for advanced urban wastewater treatment systems.
Phyconeurotoxins
(Elsevier, 2025-08-29) Botana López, Luis Miguel; Raposo García, Sandra; Camiña García, María Mercedes; Vale González, María del Carmen; Botana López, Ana María; Louzao Ojeda, María del Carmen; Rodríguez Vieytes, Mercedes; Universidade de Santiago de Compostela. Departamento de Farmacoloxía, Farmacia e Tecnoloxía Farmacéutica; Universidade de Santiago de Compostela. Departamento de Fisioloxía; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; England, John D.
Phyconeurotoxins are marine compounds produced by 200 species of microalgae that target receptors in the nervous system. Some of the toxin groups are well recognized as potent neurotoxins, namely Brevetoxins, Cyclic Imines, Ciguatoxins, Domoic Acid, Saxitoxins, and Tetrodotoxins. Ciguatoxins are produced by microalgae but only reported in fish, and for this reason their toxicology and food safety poses a special difficulty. Tetrodotoxins are present in both fish and shellfish; they are produced by bacteria, but some microalgae have associated bacteria that produce the toxin. All other toxin groups are associated with shellfish toxicity. Okadaic acid analogs and Azaspiracids might be included in this group of neurotoxins, although their mode of toxicity is under scientific scrutiny, and in consequence they are not fully accepted neurotoxins. In general, phyconeurotoxins are very diverse in chemical structure and mechanism of action. They are privileged structures that interact with their receptors at very low concentrations. Only Saxitoxins and Domoic acid are clearly considered lethal toxins in mammals. It remains to be clarified the biological role of phycotoxins, as they are harmless to fish or feed-filtering molluscs.
Analytical and functional profiles of paralytic shellfish toxins extracted from Semele proficua and Senilia senilis from Angola
(Elsevier, 2024-02-15) Raposo García, Sandra; Botana López, Ana María; Rey López, Verónica; Costas Sánchez, Celia; Rodríguez Santos, Luis; Louzao Ojeda, María del Carmen; Vale González, María del Carmen; Botana López, Luis Miguel; Universidade de Santiago de Compostela. Departamento de Farmacoloxía, Farmacia e Tecnoloxía Farmacéutica; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
Paralytic shellfish poisoning is a foodborne illness that typically derive from the consumption of shellfish contaminated with saxitoxin-group of toxins produced by dinoflagellates of the genus Gymnodinium, Alexandrium and Pyrodinium. N-sulfocarbamoyl, carbamate and dicarbamoyl are the most abundant. In 2007 and 2008 some episodes of PSP occurred in Angola where there is not monitoring program for shellfish contamination with marine biotoxins. Therefore, ten samples extracted from Semele proficua from Luanda Bay and Senilia senilis from Mussulo Bay, were analyzed by HPLC finding saxitoxin, decarbamoylsaxitoxin and other three compounds that have an unusual profile different to the known hydrophilic PSP toxins were found in different amounts and combinations. These new compounds were not autofluorescent, and they presented much stronger response after peroxide oxidation than after periodate oxidation. The compounds appear as peaks eluted at 2.5 and 5.6 min after periodate oxidation and 8.2 min after peroxide oxidation. Electrophysiological studies revealed that none of the three unknown compounds had effect at cellular level by decreasing the maximum peak inward sodium currents by blocking voltage-gated sodium channels. Thus, not contributing to PSP intoxication. The presence in all samples of saxitoxin-group compounds poses a risk to human health and remarks the need to further explore the presence of new compounds that contaminate seafood, investigating their activity and developing monitoring programs.
Tracing illicit and prescription drug use in a Spanish prison by combining wastewater analysis and pharmaceutical dispensing data
(Elsevier, 2026-04-12) Egaña, Iker; Nogales-García, Maite; Akhrimenko, Vladimir; González Gómez, Xiana; Rodil Rodríguez, María del Rosario; Montes Goyanes, Rosa; Quintana Álvarez, José Benito; Mestre-Pintó, Juan Ignacio; Orive, Gorka; Lertxundi, Unax; Universidade de Santiago de Compostela. Instituto de Investigación do Medio Acuático para Unha Saúde Global (iARCUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
Background and aim We combined wastewater-based epidemiology (WBE) and pharmaceutical dispensing records to distinguish between illicit and prescription drug use. Methods We collected 24-h composite wastewater samples during three one-week campaigns in a prison in northern Spain. Samples were analysed for pharmaceuticals, illicit drugs, nicotine and alcohol. Population-normalised daily loads (PNDLs) were converted to consumption estimates and compared with Spanish population WBE estimates and pharmacy dispensing data. Results Wastewater analysis showed high use of several pharmaceuticals, with the highest average PNDL for gabapentinoids. Pregabalin and gabapentin estimates from wastewater exceeded pharmacy dispensing, suggesting internal diversion. Cannabis consumption was about four times higher than community estimates and cocaine was also higher in all campaigns. Ketamine and MDMA use were above community medians during the February campaign and nicotine use was nearly ten times higher than community levels. Conclusion WBE identifies prescription drug diversion, illicit drug markets and quantifies licit substance use in prisons.
Development of fluorescence and colorimetric LAMP-based assays for rapid and sensitive detection of toxigenic Bacillus cereus group strains in plant-based products
(Elsevier, 2026-09) Bisaschi, Marta; Fontana, Alessandra; Callegari, Maria Luisa; Del Casale, Antonio; Morelli, Lorenzo; Lamas Freire, Alexandre; Prado Rodríguez, Marta; Patrone, Vania; Universidade de Santiago de Compostela. Departamento de Ciencias Clínicas Veterinarias
Bacillus cereus represents a major concern for the microbiological safety of plant-based foods due to its ability to form heat-resistant spores and produce toxins associated with foodborne illness. Rapid, field-adapted tools for toxin gene detection are, therefore, needed to support surveillance and safety management. In this study, Loop-Mediated Isothermal Amplification (LAMP) assays targeting the emetic (cesA) and enterotoxigenic (hblD, nheB, cytK-1) genes of B. cereus were developed and their performance in plant-based products was evaluated. LAMP primer sets using qPCR equipment (qLAMP) were assessed for sensitivity and specificity with a diverse strain panel. Analytical sensitivity was also tested in spiked plant-based matrices. Seventy-two commercial plant-based foods and supplements, including dairy, meat, and fish analogues, were screened by colorimetric assays, with inconclusive samples subsequently analysed via qLAMP. No amplification occurred with non-Bacillus DNA. hblD, nheB, and cytK-1 assays showed 100% specificity to reference assignments, while cesA assay generated one apparent false positive. All assays successfully amplified target DNA in spiked matrices even at the lowest level of 101 spores × mL−1. The colorimetric analysis of commercial products showed mostly clearly positive (yellow) or negative (red) results. Some intermediate (orange) signals were confirmed by qLAMP as very low-level positives, while others showed no amplification. Among detected genes, nheB was the most frequent, followed by hblD, cytK-1, and cesA. Overall, LAMP assays provide rapid, sensitive, and specific detection of B. cereus toxin genes. The colorimetric method represents an effective first-line screening tool for plant-based foods, with qLAMP confirmation recommended for ambiguous results.
Allergens and Other Harmful Substances in Hydroalcoholic Gels: Compliance with Current Regulation
(MDPI, 2023-10-07) Castiñeira Landeira, Ana; Vázquez Ferreiro, Lúa; Dagnac, Thierry; Celeiro Montero, María; Llompart Vizoso, María del Pilar; Universidade de Santiago de Compostela. Centro Interdisciplinar de Investigación en Tecnoloxías Ambientais (CRETUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
Hydroalcoholic gels or hand sanitisers have become essential products to prevent and mitigate the transmission of COVID-19. Depending on their use, they can be classified as cosmetics (cleaning the skin) or biocides (with antimicrobial effects). The aim of this work was to determine sixty personal care products frequently found in cosmetic formulations, including fragrance allergens, synthetic musks, preservatives and plasticisers, in hydroalcoholic gels and evaluate their compliance with the current regulation. A simple and fast analytical methodology based on solid-phase microextraction followed by gas chromatography–tandem mass spectrometry (SPME-GC-MS/MS) was validated and applied to 67 real samples. Among the 60 target compounds, 47 of them were found in the analysed hand sanitisers, highlighting the high number of fragrance allergens (up to 23) at concentrations of up to 32,458 g g􀀀1. Most of the samples did not comply with the labelling requirements of the EU Regulation No 1223/2009, and some of them even contained compounds banned in cosmetic products such as plasticisers. Method sustainability was also evaluated using the metric tool AGREEPrep, demonstrating its greenness.
Method development and validation for the simultaneous determination of 21 antiviral drugs by ultra-high performance liquid chromatography-tandem mass spectrometry in chicken muscle and liver
(Elsevier, 2025-02-22) Castiñeira Landeira, Ana; Sasse, Samantha; Broeren, Melissa; S. Sterk, Saskia; Arrizabalaga Larrañaga, Ane; Universidade de Santiago de Compostela. Centro Interdisciplinar de Investigación en Tecnoloxías Ambientais (CRETUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
The recent unauthorization of antiviral drugs in food-producing animals according to Commission Delegated Regulation (EU) 2022/1644 have increased the need for food control laboratories to develop analytical methods and perform official controls. In this work, a simple and fast analytical methodology was developed for the simultaneous determination of 21 antiviral drugs in chicken muscle and liver by liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS). Chromatographic separation was achieved by an HILIC BEH amide column; followed by detection with a electrospray ionization source in positive and negative modes. Based on extraction efficiencies, critical parameters affecting sample treatment were optimized including the evaporation and clean up steps to extract the largest number of antiviral drugs and reduce interferences. The method was validated according to Commission Implementing Regulation (EU) 2021/808 in chicken muscle and liver. Most compounds showed a linearity of R2>0.9800, while decision limits were between 0.18 and 7.05 μg kg−1 and 0.19 and 36 μg kg−1 for chicken muscle and liver, respectively. Trueness and within-lab reproducibility were determined at three levels (n = 7) and the results showed values ranging from 81 to 133 % and 4.2–57 % for chicken muscle, and 71–136 % and 4.6–106 % for chicken liver, respectively. The applicability of the developed method was demonstrated by the analysis real samples. 20 samples from the National Residue Control Plan in the Netherlands were analyzed and although none of targeted compounds were detected it is important to continue the analysis of larger set of samples to address any possible food safety risks.
Assessment of UV filter ethylhexyl methoxycinnamate photoisomerization in aquatic environments, cosmetics and in vitro skin by (micro)extraction GC–MS analysis
(Elsevier, 2026-02-03) Zulfiqar, Hira; Llompart Vizoso, María del Pilar; Castiñeira Landeira, Ana; Duque Villaverde, Andrés; Fabbri, Daniele; Universidade de Santiago de Compostela. Centro Interdisciplinar de Investigación en Tecnoloxías Ambientais (CRETUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
This work examines the photoinduced isomerization of the UV filter ethylhexyl methoxycinnamate (EHMC) in different real samples, including environmental waters, cosmetic products, and human skin. Water samples (river, sea, and swimming pool water) spiked at environmentally relevant concentrations were irradiated with UV light and analyzed by solid-phase microextraction (SPME) followed by GC–MS. Natural waters showed minimal total degradation of EHMC, reaching an (E/Z, trans/cis)-photostationary state with slight predominance of the Z isomer. In contrast, swimming pool water exhibited rapid EHMC loss, likely due to disinfectants, reducing concentration below 20% within 10 min. Cosmetic products (sunscreen cream, lip balm, and hair oil) were irradiated under the same UV conditions after application onto glass slides, and EHMC was extracted using vortex and ultrasound assisted extraction (UAE) followed by GC–MS. All samples exhibited formation of Z-EHMC, representing 30–50% of total EHMC at photostationary equilibrium, with minimal total degradation. Similar behavior was observed under natural sunlight, confirming that cosmetic products undergo photoinduced transformation under real conditions. To simulate human exposure, cosmetic products were applied to in vitro human skin and irradiated, again resulting in rapid formation of Z-EHMC. This isomer is known to be less effective as a sun protector and potentially more toxic. These findings demonstrate that EHMC consistently converts into its Z isomer across environmental waters, cosmetic products, and human skin, highlighting potential implications for sunscreen efficacy as well as environmental and human health risks. Additionally, the applied extraction and analytical methods proved to be suitable for monitoring EHMC in complex matrices.
Determination of the presence of pharmacological residues in human feces by liquid chromatography-tandem mass spectrometry
(Elsevier, 2026-01-03) Míguez Suárez, Gabriel; Cardelle Cobas, Alejandra; Sinisterra Loaiza, Laura; Fernández Lozano, Carlos; Cepeda Sáez, Alberto; Nebot García, Carolina; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
The use of veterinary drugs in animal husbandry is a normal practice to ensure animal and human health, but residues of these active substances can be present in the final food. Therefore, levels of veterinary drugs in food of animal origin are regulated within the European Union. Humans are also exposed to pharmaceuticals unintentionally through the food chain due to their presence in the environment. This article presents a study conducted on feces of 109 volunteers who did not consume pharmaceuticals within the last two months. Up to 11 different drugs were detected and their concentration ranged from 6 to 13,661 ng/g. Taking into consideration fooffrequency questionnaires and dietary records of the volunteers, results of positive and negative samples were compared but no significant difference were observed. No relationship was found between the consumption of food of animal origin or the consumption of plant-derived foods and the presence of residues of drugs in feces samples.
Libro de Resumos da V Xuntanza de Investigador@s Nov@s no ámbito da química (XINQ_5)
(2025) Xuntanza Investigador@s Nov@s no ámbito da Química; Universidade de Santiago de Compostela. Facultade de Química; Martínez-Calvo, Miguel; Montes Goyanes, Rosa; Vázquez Vázquez, Carlos; Rumbo Gómez, Antonio
A XINQ é un espazo de encontro no que as investigadoras e investigadores novos que desenvolven o seu traballo no ámbito da química poden dalo a coñecer ao resto da comunidade universitaria. A xuntanza está pensada para que @s nov@s investigador@s entendan que se pode explicar a ciencia, a química no noso caso, en lingua galega ao mesmo tempo que desenvolven as súas capacidades de comunicación en público. A xuntanza desenvólvese a través dunha serie comunicacións orais de carácter divulgativo onde, en galego, expoñen os aspectos máis significativos e xerais da investigación que realizan no seu máster ou doutoramento. Nesta cuarta edición, o comité organizador considera que a XINQ se consolidou xa como un espazo para a difusión da investigación no ámbito da química na nosa universidade en galego. Nesta xuntanza pódense encontrar participantes procedentes da maioría dos centros de investigación e facultades da nosa institución, pero ten máis importancia, na nosa opinión, a participación de estudantes que non teñen o galego como lingua materna. El@s ofrécenos o exemplo da importancia que lle dan as persoas á lingua no proceso de integración e como ven nela un vinculo sentimental fundamental na nosa sociedade. Dende a Comisión de Normalización Lingüística da Facultade de Química débese reflexionar sobre a participación do seu profesorado nesta actividade. Sería positivo que en cada edición unha parella de profesores puidesen expoñer a investigación realizada ou un tema científico de actualidade de xeito divulgativo en lingua galega. Deste xeito, co tempo, poderían animarse a desenvolver a súa actividade docente en galego utilizado en pouca medida na nosa facultade.
Near- and Mid-Infrared Spectroscopy for the Rapid and Non-Destructive Analysis of Wheat Flour and Wheat-Based Products: A Review
(Elsevier, 2026-02-11) España Fariñas, M. Pilar; Cazón Díaz, Patricia; Romero Rodríguez, María de los Ángeles; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Instituto de Biodiversidade Agraria e Desenvolvemento Rural (IBADER)
Wheat flour and its derivatives are staple foods worldwide, making their quality and safety essential for the food industry and consumers. Conventional analytical methods are often slow, costly, and destructive. In recent years, infrared spectroscopy, particularly near-infrared (NIR) and mid-infrared (MIR), has emerged as a rapid, cost-effective, and non-destructive alternative for wheat flour assessment. This review summarizes recent advances in applying these techniques to determine quality parameters, monitor functional properties, detect adulterants, verify authenticity, and evaluate contamination risks. The integration of spectroscopy with chemometric methods and machine learning has improved predictive accuracy and robustness, supporting real-time and in situ analysis. In addition, the use of calibration models, wavelength selection strategies, and deep learning approaches has further enhanced analytical performance. Overall, NIR and MIR spectroscopy stand out as key tools to optimize quality control and safety in wheat flour, contributing to fast, reliable, and sustainable analytical systems for the food industry.
Occurrence of twelve UV filters and evidence of cis-octinoxate formation in Adriatic coastal waters: Environmental implications
(Elsevier, 2026-01-09) Zulfiqar, Hira; Llompart Vizoso, María del Pilar; Castiñeira Landeira, Ana; Coralli, Irene; Vassura, Ivano; Fabbri, Daniele; Universidade de Santiago de Compostela. Centro Interdisciplinar de Investigación en Tecnoloxías Ambientais (CRETUS); Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
UV filters used in personal care products are increasingly recognised as emerging contaminants due to their persistence and ecological risks. Detected in aquatic systems at concentrations from ng L−1 to μg L−1, their monitoring is essential for environmental risk assessment but challenging because of their diverse physicochemical properties, requiring sensitive analytical methods. This study optimised a solid-phase extraction gas chromatography–tandem mass spectrometry (SPE-GC–MS/MS) method for the simultaneous determination of twelve UV filters in marine waters. The method showed suitable linearity, precision, and recoveries, with detection limits below 1 ng L−1. Seawater samples collected along the Adriatic coast (Rimini and Riccione, Italy) during peak recreational activity were analysed. All twelve UV filters were detected, with octocrylene (up to 23,100 ng L−1), homosalate (up to 16,400 ng L−1), and ethylhexyl salicylate (up to 10,900 ng L−1) being most abundant. Trans-2-Ethylhexyl methoxycinnamate (E-EHMC, the trans isomer of octinoxate, 13–1474 ng L−1) occurred consistently with its isomer Z-EHMC (cis-octinoxate), contributing 18–64 % of total (E + Z)-EHMC, suggesting in situ photochemical conversion, since the cis form is negligible in cosmetic products. Benzophenone, ethylhexyl dimethyl PABA, 4-methylbenzylidene camphor, benzyl salicylate, and isoamyl methoxycinnamate were found at lower yet relevant concentrations. UV filters banned under European regulations, such as menthyl anthranilate and etocrylene, were absent or barely detected. This work provides the first data on sunscreen UV filters in Adriatic coastal waters and the first quantitative evidence of Z-EHMC in environmental waters, highlighting its in situ formation and contributing to understanding their environmental fate and risks.
Bioaccumulation patterns in aquaculture mussels and turbots exposed to different sizes of TiO2NPs
(Elsevier, 2025-12-17) López Mayán, Juan José; Peña Vázquez, Elena María; Moreda Piñeiro, Antonio; Bermejo Barrera, Pilar; Maguire, Julie A.; Mackey, Mick; Vázquez, María; Mallo, Natalia; Cabaleiro, Santiago; Barciela Alonso, María Carmen; Universidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía; Universidade de Santiago de Compostela. Instituto de Materiais (iMATUS)
Titanium dioxide nanoparticles (TiO2NPs) are widely used in industry, leading to their presence in the marine environment where they can interact with and harm marine life. This study examines the impact and bioaccumulation of TiO2NPs in aquaculture mussels and turbot species. Mussels were exposed for 28 days, and turbot for 90 days, to different concentrations of citrate-coated TiO2NPs (25 and 5 nm). Inductively coupled plasma mass spectrometry (ICP-MS) and single-particle-ICP-MS (SP-ICP-MS) were used for Ti determination, and TiO2NPs content and size distribution determination. In mussels TiO2NPs concentrations reached 2.28 × 10^8±5.84 × 10^7 NPs g^−1 after exposure to 1.0 mg L^−1 of 25 nm TiO2NPs for 28 days, and 4.79 × 10^8±2.36 × 10^8 NPs g^−1 for 1.0 mg L^−1 of 5 nm TiO2NPs at 21 days, respectively. Bioaccumulation was also observed in mussel shells, which became fragile, with the highest Ti concentration reaching 12.4 ± 3.5 µg g^−1 d.w. In turbot, the highest Ti concentration was found in the liver, reaching 1.6 ± 0.4 µg g^−1 w.w. at 90 days to the highest dose of 5 nm TiO2NPs. Furthermore, turbots expelled Ti through the feces, reaching 41.0 ± 6.6 µg g^−1 d.w. The results show the safety of turbot consumption and highlight the need for a correct depuration process of mussels before commercialization.

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