Articles publicats en revistes (Institut de Recerca en Nutrició i Seguretat Alimentària (INSA·UB))

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Tracking Soil Organic Carbon and Nitrogen under Organic Management: A Temporal Perspective
(MDPI, 2025-10-11) Bragg, Daniel; Romanyà i Socoró, Joan; Blanco Moreno, José Manuel; Sans, Xavier (Sans i Serra)
Understanding the long-term impact of agricultural practices on soil parameters is essential for improving soil quality and sustainability. Soil Organic Carbon (SOC) and total Nitrogen (N) are key indicators due to their influence on crop productivity, nutrient cycling, and microbial activity. This study assesses the effects of tillage intensity (inversion vs. non-inversion) and organic amendments (manure vs. no manure) on SOC and total N dynamics in Mediterranean rain-fed arable systems. Data were collected over a ten-year field trial (2011–2020) in Catalonia, under cereal–legume rotation and organic management, focusing on two soil depths (0–10 and 10–20 cm). Fertilization was the main driver of SOC and N changes. Non-inversion tillage promoted topsoil accumulation and microbial colonization, especially during the first period (2011–2015). The combination of manure and reduced tillage led to faster and greater SOC increases. Moreover, initial SOC levels were negatively related to SOC changes in the topsoil. These results revealed the combination of manure and non-inversion tillage as the more suitable management practice to preserve soil quality in organic arable rain-fed systems, emphasizing the importance of understanding the impact of agricultural management in the long-term under Mediterranean conditions.
Efficacy of Erwinia amylovora and Xanthomonas campestris pv campestris phages to control fire blight and black rot in vivo
(American Society for Microbiology, 2025-05-16) Vique, Gloria; Mendonza Barberá, Elena de; Ramos-Barbero, Maria Dolores; Blanco-Picazo, Pedro; Sala Comorera, Laura; Quirós, Pablo; Atares, Sergio; Salaet, Ignasi; Muniesa Pérez, Ma. Teresa; Rodríguez-Rubio, Lorena
Phytopathogens, such as Erwinia amylovora and Xanthomonas campestris, pose significant threats to agriculture, leading to substantial economic losses. Traditional chemical pesticides can harm soil fertility, contaminate water, and impact non-target organisms such as natural predators and pollinators, highlighting the need for sustainable pest control methods. This study explores the use of bacteriophages as biocontrol agents against E. amylovora, which causes fire blight, and X. campestris pv. campestris, responsible for black rot in cruciferous vegetables. Bacteriophages were isolated from urban wastewater and tested for their lytic activity against these pathogens. Three virulent phages were identified: ɸEF1 and ɸEF2 against E. amylovora and ɸXF1 against X. campestris pv. campestris. Genetic analysis confirmed the absence of known lysogeny-related genes, indicating that these phages are ideal candidates for biocontrol applications. In vitro assays demonstrated significant bacterial population reductions. Specifically, ɸEF1 killed 92.1% of the E. amylovora population at a multiplicity of infection (MOI) of 1 after 3 h, while ɸEF2 reduced the population by 98.1%. When combined in a 1:1 ratio, the two phages reduced E. amylovora populations by 99.7%, and no regrowth of resistant cells was observed, which was not the case when the phages were applied individually. ɸXF1 killed 99.9% of X. campestris pv. campestris populations at an MOI of 1 after 5 h. In vivo experiments using pears and kohlrabi as infection models further validated the phage effectiveness. Treated pears showed reduced fire blight symptoms, and kohlrabi plants exhibited markedly less necrosis from black rot compared to untreated controls.
Immunogenic Properties of a Novel Hepatitis A Vaccine Candidate Based on a Fast-Growing Viral Strain
(MDPI, 2025-04-23) Costafreda Salvany, M. Isabel (Maria Isabel); Massot Cladera, Malen; Chavarria Miró, Gemma; Arrebola, Alba; Franch i Masferrer, Àngels; Rodríguez Lagunas, María José; Martínez-Velázquez, Adán; Blanco Ortiz, Albert; Bosch, Albert; Guix Arnau, Susana; Castell, Margarida; Pintó Solé, Rosa María
Background/Objectives: Hepatitis A virus (HAV) yearly causes over 150 million new infections and around 40,000 deaths. Current vaccines are based on strains that grow poorly in cell culture, leading to high production costs and limited availability. This study aimed to compare the immunogenic properties of a novel HAV vaccine candidate based on the fast-growing HM175-HP strain with those of the parental slow-growing HM175-L0 strain, which derives from the cytopathic HM175 strain, like the prototype strain used in certain existing vaccines. Methods: The humoral and cellular immune response elicited by either HM175-HP or HM175-L0 vaccines was assessed in female BALB/c mice. Results: Both HM175-HP and HM175-L0 vaccines induced comparable levels of anti-HAV IgG, as well as similar numbers of antibody-secreting cells and cellular proliferation rates in immunized mice. Importantly, anti-HAV antibodies developed by HM175-HP-immunized mice were able to neutralize the HM175-L0 strain. In addition, both vaccines induced anti-HAV IgG1 antibodies, which are associated with Th2 immune response, but the HM175-HP vaccine showed a tendency to produce a greater IgG2a response, suggesting that it might elicit a higher Th1 response, which is of utmost importance for host defense against viruses. Conclusions: Our findings indicated that the fast-growing HM175-HP strain has similar immunogenic properties to the vaccine prototype-like HM175-L0, making it a promising candidate to reduce the elevated costs and time-consuming procedures of producing the current HAV vaccines. The novel HM175-HP-based vaccine would therefore facilitate mass vaccination programs and prevent vaccine shortages.
Characteristics of Non-Therapeutic Pregabalin Users Detected by a Community Pharmacies Network in a Region of Southern Europe
(MDPI, 2024-10-01) Perelló, Maria; Rio-Aige, Karla; Rius, Pilar; Pérez-Cano, Francisco J.; Rabanal i Tornero, Manel
Background: Since 2008, several cases of pregabalin abuse have been reported to the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA). Despite this evidence, gabapentinoids are increasingly being prescribed. Moreover, pregabalin is being used in a recreational setting for its dissociative effects and euphoria. Objectives: To assess the characteristics of non-therapeutic users of pregabalin and to show behavioral trends associated with requests for the medicine at community pharmacies. Methods: The Medicine Abuse Observatory (MAO), an epidemiological surveillance system, was able to analyze trends about the most diverted drugs and the behavioral patterns of the population from community pharmacies. We have conducted an observational and cross-sectional study from January 2022 to April 2023, to determinate trends in the behavior of patients who have requested pregabalin in the Catalan Sephanet. Results: Behavior with respect to sex was similar in all health problems, although one difference was raised when considering neuropathic pain, in which the females were more involved (72.7%), especially around 2.5 times more than the males (27.3%, p < 0.05). The study showed a potential recreational use related to patients aged <25 years and patients aged 25–35 years (p < 0.05). Neuropathic pain was mainly identified in patients >65 years. In 75% of the cases, there was a preceding prescription. Conclusions: This study underlines the evidence of non-therapeutic use of pregabalin among the Catalan population and the need to take control measures. Actions should be promoted, both at the level of prescription and dispensing, and focusing on education and knowledge about the risks that may appear with the use of pregabalin. Keywords: pregabalin; prescription drug abuse; misuse; community pharmacy; neuropathic pain
Meat authentication based on animal species and other quality meat attributes (protected geographical indication, organic production, and Halal and Kosher products) by HPLC-UV fingerprinting and chemometrics
(Springer Science + Business Media, 2025-06-11) Santomá Martí, Alexandra; Aijon, Nil; Núñez Burcio, Oscar
A simple and economic high-performance liquid chromatography with UV-vis detection (HPLC-UV) metabolomic fingerprinting methodology was developed and applied after a water extraction procedure to obtain sample chemical descriptors suitable for meat authentication by chemometrics. 300 meat samples involving different species (lamb, beef, pork, rabbit, quail, chicken, turkey, and duck) as well as different non-genetic attributes (protected geographical indications, organic production, and Halal and Kosher meats) were analyzed, and the obtained HPLC-UV fingerprints subjected to PCA and PLS-DA for classification and authentication. Excellent PLS-DA discrimination and classification performance was accomplished for calibration and cross-validation, with sensitivity and specificity values higher than 100% and 99.3%, respectively, and classification errors below 0.4%, when meat species were considered. The prediction capability when employing a classification decision tree consisting on consecutive dual PLS-DA models built using a hierarchical model builder was of 100% accuracy when 48 meat samples were subjected to the model as unknown samples. Multiclass PLS-DA classification performances when addressing meat geographical origin, organic productions and Halal and Kosher products were also very acceptable, with overall sensitivity and specificity values higher than 91.2%, and classification errors below 6.9%. Finally, fraudulent meat adulteration cases involving PGI, organic and Halal and Kosher adulterated meats were evaluated by partial least squares (PLS) regression, allowing the detection and quantitation of adulteration levels within the range from 15-85% with prediction errors below 6.6%, demonstrating the suitability of the proposed methodology to assess meat authenticity.
SPME-GC-MS and chemometrics for coffee characterization, classification and authentication
(Elsevier B.V., 2025-04-24) Núñez, Nerea; Moret, Erica; Lucci, Paolo; Moret, Sabrina; Saurina, Javier; Núñez Burcio, Oscar
In recent decades, the complexity of the food chain has contributed to a surge of food adulteration issues, resulting in numerous instances of food fraud. For this reason, ensuring the authenticity of food is crucial for society as a whole. In this context, beverages are particularly vulnerable to adulteration by adding flavors and aromas or incorporating unspecified substances to enhance volume, among other deceptive practices.This work focuses on the detection of fraud in coffee, one of the world’s most popular beverages, which is a product easily prone to manipulation. Fingerprinting studies of volatile compounds in 185 samples were performed by gas chromatography (with polar and non-polar columns) coupled to mass spectrometry (GC–MS) and in combination with chemometrics for data analysis. In this group of samples, 42 were chicory, 96 were coffee of different species and geographical production regions, and 47 were soluble coffees. Headspace-solid phase microextraction (HS-SPME) was employed to obtain the volatile compounds in the samples directly from the solid coffee. The GC–MS fingerprints served as reliablechemical descriptors for the classification of coffee samples using chemometrics. Moreover, some compounds found in samples were tentatively identified using NIST Research Libraries.Furthermore, two adulteration coffee studies were performed using partial least squares (PLS) regression, which demonstrated the feasibility of the proposed methodology for the quantification of adulterant levels up to 15%, with calibration and prediction errors below 2.9% and 7.4%, respectively.
Colistin treatment causes neuronal loss and cognitive impairment via ros accumulation and neuronal plasticity alterations
(Elsevier Masson SAS, 2025-01-09) Guzman, Laura; Parcerisas, Antoni; Cano Fernández, Amanda; Sanchez-Lopez, Elena; Verdaguer, Ester; Auladell i Costa, M. Carme; Cajal Visa, Yolanda; Barenys Espadaler, Marta; Camins Espuny, Antoni; Rabanal Anglada, Francesc; Ettcheto Arriola, Miren
The rise of antimicrobial resistance has made necessary the increase of the antibacterial arsenal against multidrug-resistant bacteria. In this context, colistin has re-emerged as a first-line antibiotic in critical situations despite its nephro- and neuro- toxicity at peripheral level. However, the mechanism underlying its toxicity remains unknown, particularly in relation to the central nervous system (CNS). Therefore, this study aimed to characterize the molecular mechanisms underlying colistin-induced neurotoxicity in the CNS through a combination of in vitro and in vivo molecular studies along with several in vivo behavioral tests. Following colistin treatment, mice exhibited a significant reduction in body weight together with renal impairment, and locomotor dysfunction. Moreover, our results demonstrated that colistin disrupted the blood-brain barrier, inducing astrogliosis, and triggering apoptosis-related processes probably through the accumulation of reactive oxygen species (ROS) and mitochondrial dysfunction. Further analysis on mice and primary neuronal cultures revealed that colistin administration altered neuronal plasticity by reducing the number of immature neurons in adult neurogenesis and altering the synaptic function through a reduction of the post-synaptic protein PSD95. All these alterations together finally lead to cognitive impairment and depression-like symptoms in mice. These findings provide novel insights into the mechanisms of colistin-induced neurotoxicity in the CNS, highlighting the need for careful monitoring of cognitive function in patients undergoing colistin treatment.
Survey of arsenic content in edible seaweeds and their health risk assessment
(Elsevier Ltd., 2024-03-20) Yu, Yanli; Morales-Rodríguez, Alba; Zhou, Guangming; Barrón Bueno, Dolores; Sahuquillo Estrugo, Àngels; López Sánchez, José Fermín
Since humans are especially sensitive to arsenic exposure, predominantly through diet, a strict control of the most widely consumed seaweeds is mandatory. Total arsenic contents and arsenic species in twenty-five different seaweeds from five different origins were studied. Seaweeds selected, included Phaeophyta (brown seaweed), Chlorophyta (green seaweed) and Rhodophyta (red seaweed) genera. The highest arsenic content appears in the Phaeophyta seaweed in the range from 11 to 162 mg·kg-1 dried weight. Arsenosugars were found to be the predominant species of arsenic in most seaweeds, being up to 99.7% of total arsenic in some samples. The arsenic dietary intakes for seaweeds studied were assessed and the Target Hazard Quotients (THQ) and the Target Cancer Risk (TCR) were calculated, taking into account inorganic arsenic contents (iAs). iAs species in seaweeds showed low risk of arsenic intake except for Hizikia fusiforme samples.
The modeling pastes of the monumental terracruda sculpture of the Silk Roads: Archaeometric study of the Tepe Narenj and Qol-e-tut examples (Kabul, Afghanistan)
(Oxford University, Research Laboratory for Archaeology and the History of Art., 2023-10-02) López-Prat, Mónica; De Luca, Raffaella; Pecci, Alessandra; Mileto, Simona; Ray Bandyopadhyay, Sudipa; Bloise Andrea; Guido, Adriano; Cipriani, Mara; Lancelotti, Carla; Carrascosa, Begoña; Simón-Cortés, José Manuel; Miriello, Domenico
This paper presents the results of the mineralogical, petrographic and chemical study of different archaeological samples related to terracruda sculptures and other elements that were part of the architectural decoration of the Buddhist sites of Tepe Narenj and Qol-e-tut (Kabul, Afghanistan; fifth to 11th centuries CE). The main objective of the study was to characterize the samples using an archaeometric approach. The study helped to better understand the materials involved in the modeling of Afghan sculptures and their processing, such as the different nature of the clay layers and the finishing ‘stucco’ coating. The results further indicate that similarities exist among the manufacturing process of the studied samples and that used today by an ancient caste of clay artists in West Bengal (India), suggesting the existence of a continuous technological tradition that deserves to be further explored in the future.
Adherence to Mediterranean Diet and Response to an Exercise Program to Prevent Hospitalization-Associated Disability in Older Adults: A Secondary Analysis from a Randomized Controlled Trial
(Springer Science + Business Media, 2023-06-03) Tor Roca, Alba; Mayordomo-Cava, J.; Andrés Lacueva, Ma. Cristina; Serra-Rexach, J. A.; Urpí Sardà, Mireia
Objectives: To investigate the relationship between Mediterranean diet (MedDiet) adherence and response to an exercise and health education program to prevent hospitalization-associated disability (HAD) in acutely hospitalized older adults. Design: Randomized controlled trial. Setting and participants: Secondary analysis of a subset of 109 participants from AGECAR-PLUS study with available data on MedDiet adherence (mean age 87, and range 75-98). Intervention: Participants were randomized into the control group (n = 46, usual care) or the intervention group (n = 63, supervised exercise and health education) at admission. Measurements: MedDiet adherence was measured with MEDAS and through urinary total polyphenols (UTP). Functional status was assessed with the Barthel Index. Results: At discharge, patients in the intervention group who had low levels of MedDiet or UTP showed an increase in functional status [adjusted mean (95% CI) = 77.8 (70.8-84.8) points, p = 0.005, and adjusted mean (95% CI) = 78.0 (68.3-87.7) points, p = 0.020, respectively]. Conclusion: Older individuals over age 75 with low MedDiet adherence were likely to benefit more from a physical exercise and health education intervention. Keywords: Mediterranean dietary pattern; activities of daily living; functional ability; hospitalization-associated disability; phenolic compounds.
Unveiling the functional components and antivirulence activity of mustard leaves using an LC-MS/MS, molecular networking, and multivariate data analysis integrated approach
(Elsevier B.V., 2023) Ibrahim, Rana M.; Eltanany, Basma M.; Pont Villanueva, Laura; Benavente Moreno, Fernando J. (Julián); ElBanna, Shahira A.; Otify, Asmaa M.
Plant extracts have recently received increased attention as alternative sources of antimicrobial agents in thefight against multidrug-resistant bacteria. Non-targeted metabolomics liquid chromatography-quadrupole timeof-flight tandem mass spectrometry, molecular networking, and chemometrics were used to evaluate themetabolic profiles of red and green leaves of two Brassica juncea (L.) varieties, var. integrifolia (IR and IG) and var.rugosa (RR and RG), as well as to establish a relationship between the elucidated chemical profiles and antivirulenceactivity. In total, 171 metabolites from different classes were annotated and principal componentanalysis revealed higher levels of phenolics and glucosinolates in var. integrifolia leaves and color discrimination,whereas fatty acids were enriched in var. rugosa, particularly trihydroxy octadecadienoic acid. All extractsdemonstrated significant antibacterial activity against Staphylococcus aureus and Enterococcus faecalis, presentingthe IR leaves the highest antihemolytic activity against S. aureus (99 % inhibition), followed by RR (84 %), IG(82 %), and RG (37 %) leaves. Antivirulence of IR leaves was further validated by reduction in alpha-hemolysingene transcription (~4-fold). Using various multivariate data analyses, compounds positively correlated tobioactivity, primarily phenolic compounds, glucosinolates, and isothiocyanates, were also identified.
On-line aptamer affinity solid-phase extraction direct mass spectrometry for the rapid analysis of α-synuclein in blood
(Elsevier B.V., 2023) Salim, Hiba; Pont Villanueva, Laura; Giménez López, Estela; Benavente Moreno, Fernando J. (Julián)
On-line aptamer affinity solid-phase extraction direct mass spectrometry (AA-SPE-MS) is presented for the rapid purification, preconcentration, and characterization of α-synuclein (α-syn), which is a protein biomarker related to Parkinson's disease. Valve-free AA-SPE-MS is easily implemented using the typical SPE microcartridges and instrumental set-up necessary for on-line aptamer affinity solid-phase extraction capillary electrophoresis-mass spectrometry (AA-SPE-CE-MS). The essential requirement is substituting the application of the separation voltage by a pressure of 100 mbar for mobilization of the eluted protein through the capillary towards the mass spectrometer. Under optimized conditions with recombinant α-syn, repeatability is good in terms of migration time and peak area (percent relative standard deviation (%RSD) values (n = 3) are 1.3 and 6.6% at 1 μg mL−1, respectively). The method is satisfactorily linear between 0.025 and 5 μg mL−1 (R2 > 0.986), and limit of detection (LOD) is 0.02 μg mL−1 (i.e. 1000, 500, and 10 times lower than by CE-MS, direct MS, and AA-SPE-CE-MS, respectively). The established AA-SPE-MS method is further compared with AA-SPE-CE-MS, including for the analysis of α-syn in blood. The comparison discloses the advantages and disadvantages of AA-SPE-MS for the rapid and sensitive targeted analysis of protein biomarkers in biological fluids.
Characterization of sparkling wine based on polyphenolic profiling by liquid chromatography coupled to mass spectrometry
(MDPI, 2023) Oliva, Eleonora; Mir-Cerdà, Aina; Sergi, Manuel; Sentellas, Sonia; Saurina, Javier
Polyphenols are phytochemicals naturally present in wines that arouse much interest in the scientific community due to their healthy properties. In addition, their role as descriptors of various wine qualities, such as the geographical origin or the grape variety, cannot be underestimated. Here, Pinot Noir and Xarel·lo monovarietal samples belonging to the sparkling wine production process have been studied, corresponding to base wines from a first alcoholic fermentation (plus malolactic in some cases), base wines resulting from tartaric stabilization, and sparkling wines from a second alcoholic fermentation aged for 3 and 7 months. One of the objectives of this paper is to obtain valuable chemical and oenological information by processing a huge amount of data with suitable chemometric methods. High-performance liquid chromatography coupled with ultraviolet spectroscopy and tandem mass spectrometry (HPLC-UV-MS/MS) has been used for the determination of polyphenols in wines and related samples. The method relies on reversed-phase mode and further detection by multiple reaction monitoring. Concentrations of relevant phenolic compounds have been determined, and the resulting compositional data have been used for characterization purposes. Exploratory studies by principal component analysis have shown that samples can be discriminated according to varietal and quality issues. Further classification models have been established to assign unknown samples to their corresponding classes. For this purpose, a sequential classification tree has been designed involving both variety and quality classes, and an excellent classification rate has been achieved.
On-line aptamer affinity solid-phase extraction capillary electrophoresis-mass spectrometry for the determination of SARS-CoV-2 nucleocapsid protein
(Elsevier B.V., 2025) Salim, Hiba; Pont Villanueva, Laura; Giménez López, Estela; Poolsup, S.; Berezovski, M. V.; Benavente Moreno, Fernando J. (Julián)
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is responsible for coronavirus disease 2019 (COVID-19), which has sparked a significant global health crisis in recent years. Among its structural proteins, the nucleocapsid protein (N protein) stands out as one of the most abundant. Despite being well-recognized as an immunodominant antigen in host immune responses and a promising diagnostic biomarker, further insight into this protein with novel analytical methods is crucial for understanding the disease mechanisms. This study focuses on the development of an aptamer affinity sorbent for the purification, preconcentration, separation, characterization, and quantification of the N protein using on-line aptamer affinity solid-phase extraction capillary electrophoresis-mass spectrometry (AA-SPE-CE-MS). Microcartridges packed with a sorbent composed of magnetic bead (MB) particles modified with an aptamer against the N protein were utilized. A rigorous optimization of several method parameters resulted in the use of a lab-made hydroxypropyl cellulose (HPC)-coated capillary to prevent protein adsorption and a neutral background electrolyte (BGE) of 10 mM ammonium acetate (pH 7.0) for the separation. The sample was loaded in the BGE, and the retained protein was subsequently eluted with 1 M acetic acid (pH 2.3). The developed method demonstrated repeatability in terms of migration times and peak areas, exhibited linearity between 2.5 and 25 μg mL 1, and achieved a limit of detection (LOD) of 0.5 μg mL 1, providing a sensitivity enhancement of 500 times compared to CE-MS. It was finally applied to the analysis of the N protein in human saliva, pointing out its potential for establishing accurate SARS-CoV-2 complementary analytical methods.
Cognitive-enhancing effect of Cordia dichotoma fruit on scopolamine-induced cognitive impairment in rats: metabolite profiling, in vivo, and in silico investigations
(Royal Society of Chemistry, 2024) Hussein, H. G.; Kawy, M. A. A.; Eltanany, B. M.; Pont Villanueva, Laura; Benavente Moreno, Fernando J. (Julián); Fayez, A. M.; Alnajjar, R.; Al-Karmalawy, A. A.; Abdelmonem, A. R.; Mohsen, E.
Many plants are reported to enhance cognition in amnesic-animal models. The metabolite profile of Cordia dichotoma fruit methanolic extract (CDFME) was characterized by LC-QTOF-MS/MS, and its total phenolics content (TPC) and total flavonoids content (TFC) were determined. In parallel, its cognitive-enhancing effect on scopolamine (SCOP)-induced AD in rats was evaluated. The TPC and TFC were 44.75 ± 1.84 mg gallic acid equiv. g−1 sample and 5.66 ± 0.67 mg rutin equiv. g−1 sample, respectively. In total, 81 metabolites were identified, including phenolic acids, lignans, coumarins, amino acids, fatty acids, and their derivatives, fatty acid amides, polar lipids, terpenoids, and others. The most abundant metabolites identified were quinic acid, caffeoyl-40-hydroxyphenyllactate, rosmarinic acid, and oleamide. CDFME (200 mg kg−1) was found to significantly enhance recognition memory in the novel object recognition test. Furthermore, it nearly corrected acetylcholinesterase (AChE), acetylcholine, noradrenaline, and dopamine hippocampal levels, which changed due to SCOP. Further in silico validation of the in vivo results was conducted, focusing on the most abundant metabolites. Molecular docking showed that rosmarinic acid, caffeoyl-40-hydroxyphenyllactate, sebestenoid C, and sagerinic acid exhibited the greatest affinity for receptor binding against AChE. However, molecular dynamics and mechanics calculations clarified that the complex of caffeoyl-40-hydroxyphenyllactate with AChE was the most stable one. This study represents the first comprehensive metabolite profiling of CDFME to assess its cognition-enhancing effect both in vivo and in silico. These results demonstrate that CDFME protects against SCOP-induced cognitive impairment. Thus, additional preclinical and clinical studies on CDFME may provide an attractive approach in pharmacotherapy and AD prophylaxis.
Fingerprinting of quinoa grain protein extracts by liquid chromatography with spectrophotometric detection for chemometrics discrimination
(Elsevier B.V., 2023) Galindo Luján, Rocío del Pilar; Caballero-Alcázar, Nil; Pont Villanueva, Laura; Sanz Nebot, María Victoria; Benavente Moreno, Fernando J. (Julián)
Quinoa (Chenopodium quinoa Willd.) grain is gaining great popularity worldwide because it is a rich source of nutrients, bioactive compounds, complete essential amino acids, and high-quality proteins. The demand for quinoa-based products is on the rise, which makes them prone to adulteration with less expensive cereals. In this study, we described a rapid and simple procedure for fingerprinting of quinoa grain protein extracts based on the combination of liquid chromatography with ultraviolet absorption diode array detection (LC-UV-DAD) and chemometrics. First, we developed a novel LC-UV-DAD method to obtain distinctive multiwavelength chromatographic profiles of protein extracts from various commercial quinoa grains, which encompass different quinoa varieties sold as black, red, white (from Peru), and royal (white from Bolivia). Then, the components of the LC-UV-DAD fingerprints were deconvoluted by multivariate curve resolution alternating least squares (MCRALS), and principal component analysis (PCA) followed by partial least squares discriminant analysis (PLS-DA) were applied to efficiently discriminate the commercial quinoa grains according to their differential composition. The chemometrics-assisted LC-UV-DAD fingerprinting methodology demonstrated its potential to rapidly and reliably discriminate quinoa grains according to the differential composition of their protein extracts and it may be applied in food quality and food fraud control.
From the gut to the brain: the long journey of phenolic compounds with neurocognitive effects
(Oxford University Press, 2024-04-30) Domínguez López, Inés; López Yerena, Anallely; Vallverdú i Queralt, Anna; Pallàs i Llibería, Mercè, 1964-; Lamuela Raventós, Rosa Ma.; Pérez Bosch, Maria
The human gut microbiota is a complex community of microorganisms that play a crucial role in maintaining overall health. Recent research has shown that gut microbes also have a profound impact on brain function and cognition, leading to the concept of the gut-brain axis. One way in which the gut microbiota can influence the brain is through the bioconversion of polyphenols to other bioactive molecules. Phenolic compounds are a group of natural plant metabolites widely available in the human diet, which have anti-inflammatory and other positive effects on health. Recent studies have also suggested that some gut microbiota-derived phenolic metabolites may have neurocognitive effects, such as improving memory and cognitive function. The specific mechanisms involved are still being studied, but it is believed that phenolic metabolites may modulate neurotransmitter signalling, reduce inflammation, and enhance neural plasticity. Therefore, to exert a protective effect on neurocognition, dietary polyphenols or their metabolites must reach the brain, or act indirectly by producing an increase in bioactive molecules such as neurotransmitters. Once ingested, phenolic compounds are subjected to various processes (e.g., metabolization by gut microbiota, absorption, distribution) before they cross the blood-brain barrier (BBB), perhaps the most challenging stage of their trajectory. Understanding the role of phenolic compounds in the gut-brain axis has important implications for the development of new therapeutic strategies for neurological and psychiatric disorders. By targeting the gut microbiota and its production of phenolic metabolites, it may be possible to improve brain function and prevent cognitive decline. In this article, we review the current state of knowledge on the endogenous generation of phenolic metabolites by the gut microbiota and how these compounds can reach the brain and exert neurocognitive effects.
Portable NIR spectroscopy to simultaneously trace honey botanical and geographicl origins and detect syrup adulteration.
(MDPI, 2024-09-26) Caredda, Marco; Ciulu, Marco; Tilocca, F.; Langasco, Ilaria; Núñez Burcio, Oscar; Sentellas, Sonia; Saurina, Javier; Pilo, Maria I.; Spano, Nadia; Sanna, G.; Mara, Alessandro
Fraudulent practices concerning honey are growing fast and involve misrepresentation of origin and adulteration. Simple and feasible methods for honey authentication are needed to ascertain honey compliance and quality. Working on a robust dataset and simultaneously investigating honey traceability and adulterant detection, this study proposed a portable FTNIR fingerprinting approach combined with chemometrics. Multifloral and unifloral honey samples (n = 244) from Spain and Sardinia (Italy) were discriminated by botanical and geographical origin. Qualitative and quantitative methods were developed using linear discriminant analysis (LDA) and partial least squares (PLS) regression to detect adulterated honey with two syrups, consisting of glucose, fructose, and maltose. Botanical and geographical origins were predicted with 90% and 95% accuracy, respectively. LDA models discriminated pure and adulterated honey samples with an accuracy of over 92%, whereas PLS allows for the accurate quantification of over 10% of adulterants in unifloral and 20% in multifloral honey.
Potential of High-throughput FIA-MS/MS and LC-MS/MS Polyphenolic Profiling to Assess Tea Authenticity. Application to Tea Adulterations with Chicory
(Elsevier B.V., 2024-09-19) Rommers, Thom; Sentellas, Sonia; Saurina, Javier; Núñez Burcio, Oscar
Tea can be found among the beverages more susceptible to fraudulent practices because of its high worldwide consumption and the increases on prices for some specific varieties due to climate change and geopolitical instability. Tea adulteration with other plants, such as chicory, is a common practice to gain an illicit profit. Polyphenols are abundant bioactive substances in tea, determining its quality and health function. In addition, they can be employed as markers to address authentication issues. The present contribution assesses the potential of polyphenolic profiling by high-throughput FIA-MS/MS and LC-MS/MS methodologies for tea authenticity. One hundred tea samples belonging to different varieties (green, black, red, oolong, and white teas) and 20 chicory samples were analyzed with both methodologies after a simple brewing process to profile fifty-five polyphenols belonging to different families. The resulting chemical descriptors were used to address tea classification and authentication by partial least-squares-discriminant analysis (PLS-DA). An excellent classification performance by PLS-DA was accomplished, with sensitivity and specificity values for FIA-MS/MS higher than 90% and 88.9%, respectively, and for LC-MS/MS higher than 85% and 86%, respectively. Good accuracy was also attained, with calibration errors below 10.5 and 14.5% for FIA-MS/MS and LC-MS/MS, respectively. Overall, FIA-MS/MS showed a better performance than LC-MS/MS, with the additional advantage of shorter analysis time as no chromatographic separation was required. The capability of phenolics to quantify tea adulterations with chicory was also assessed by partial least squares (PLS) regression, with prediction errors below 10.9 and 14.8% for FIA-MS/MS and LC-MS/MS, respectively, in the determination of adulterant levels. Thus, both methodologies demonstrated to be feasible for assessing tea authentication issues.
Rapid and Highly Efficient Separation of i‑Motif DNA Species by CEUVand Multivariate Curve Resolution
(American Chemical Society, 2023-10-02) Bchara, Laila; Eritja i Casadellà, Ramon; Gargallo Gómez, Raimundo; Benavente Moreno, Fernando J. (Julián)
The i-motif is a class of nonstandard DNA structure with potential biological implications. A novel capillaryelectrophoresis with an ultraviolet absorption spectrophotometric detection (CE-UV) method has been developed for the rapidanalysis of the i-motif folding equilibrium as a function of pH and temperature. The electrophoretic analyses are performed inreverse polarity of the separation voltage with 32 cm long fused silica capillaries permanently coated with hydroxypropyl cellulose(HPC), after an appropriate conditioning procedure was used to achieve good repeatability. However, the electrophoretic separationbetween the folded and unfolded conformers of the studied cytosine-rich i-motif sequences (i.e., TT, Py39WT, and nmy01) iscompromised, especially for Py39WT and nmy01, which result in completely overlapped peaks. Therefore, deconvolution withmultivariate curve resolution-alternating least-squares (MCR-ALS) has been required for the efficient separation of the folded andunfolded species found at different concentration levels at pH 6.5 and between 12 and 40 °C, taking advantage of the smalldissimilarities in the electrophoretic mobilities and UV spectra levels. MCR-ALS has also provided quantitative information that hasbeen used to estimate melting temperatures (Tm), which are similar to those determined by UV and circular dichroism (CD)spectroscopies. The obtained results demonstrate that CE-UV assisted by MCR-ALS may become a very useful tool to get novelinsight into the folding of i-motifs and other complex DNA structures.

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