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In 2017–2018, extensive symptoms of sudden decline and fruit rot were observed on date palms in southern Tunisia. Samples of diseased plants were randomly collected in six localities. Based on morphological identification, Fusarium was the most frequent fungal genus detected. A sequencing of translation elongation factor, calmodulin, and second largest subunit of RNA polymerase II genes was used to identify 63 representative Fusarium strains at species level and investigate their phylogenetic relationships. The main species detected was Fusarium proliferatum, and at a much lesser extent, Fusarium brachygibbosum, Fusarium caatingaense, Fusarium clavum, Fusarium incarnatum, and Fusarium solani. Pathogenicity on the Deglet Nour variety plantlets and the capability to produce mycotoxins were also assessed. All Fusarium species were pathogenic complying Koch’s postulates. Fusarium proliferatum strains produced mainly fumonisins (FBs), beauvericin (BEA), and, to a lesser extent, enniatins (ENNs) and moniliformin (MON). All F. brachygibbosum strains produced low levels of BEA, diacetoxyscirpenol, and neosolaniol; two strains produced also T-2 toxin, and a single strain produced HT-2 toxin. Fusarium caatingaense, F. clavum, F. incarnatum produced only BEA. Fusarium solani strains produced MON, BEA, and ENNs. This work reports for the first time a comprehensive multidisciplinary study of Fusarium species on date palms, concerning both phytopathological and food safety issues.
Amal Rabaaoui; Chiara Dall’Asta; Laura Righetti; Antonia Susca; Antonio Logrieco; Ahmed Namsi; Radhouane Gdoura; Stefaan Werbrouck; Antonio Moretti; Mario Masiello. Phylogeny and Mycotoxin Profile of Pathogenic Fusarium Species Isolated from Sudden Decline Syndrome and Leaf Wilt Symptoms on Date Palms (Phoenix dactylifera) in Tunisia. Toxins 2021, 13, 463 .
AMA StyleAmal Rabaaoui, Chiara Dall’Asta, Laura Righetti, Antonia Susca, Antonio Logrieco, Ahmed Namsi, Radhouane Gdoura, Stefaan Werbrouck, Antonio Moretti, Mario Masiello. Phylogeny and Mycotoxin Profile of Pathogenic Fusarium Species Isolated from Sudden Decline Syndrome and Leaf Wilt Symptoms on Date Palms (Phoenix dactylifera) in Tunisia. Toxins. 2021; 13 (7):463.
Chicago/Turabian StyleAmal Rabaaoui; Chiara Dall’Asta; Laura Righetti; Antonia Susca; Antonio Logrieco; Ahmed Namsi; Radhouane Gdoura; Stefaan Werbrouck; Antonio Moretti; Mario Masiello. 2021. "Phylogeny and Mycotoxin Profile of Pathogenic Fusarium Species Isolated from Sudden Decline Syndrome and Leaf Wilt Symptoms on Date Palms (Phoenix dactylifera) in Tunisia." Toxins 13, no. 7: 463.
Nowadays, most of the screening methods in food manufacturing are based on spectroscopic techniques. Ambient Mass Spectrometry is a relatively new field of analytical chemistry which has proven to offer similar speed and ease-of-use when compared to other fingerprinting techniques, alongside the advantages of good selectivity, sensitivity and chemical information. Numerous applications have been explored in food authenticity, based either on the target detection of adulteration markers or, less frequently, on the development of multivariate classification models. The aim of the present work was to evaluate and compare the capabilities of Direct Analysis in Real Time (DART) and Atmospheric Solid Analysis Probe (ASAP) Mass Spectrometry (MS) for the high-throughput authenticity screening of commercial herbs and spices products. The gross addition of bulking material to dried Mediterranean oregano was taken as case study. First, a pilot sample set, constituted by authentic dried oregano, olive leaves (a frequently reported adulterant) and mixtures thereof at different levels (i.e. 10, 20, 30 and 50% w/w) was used. Each sample was fingerprinted by both ambient-MS techniques. After appropriate pre-processing, the whole mass spectra were used for the subsequent multivariate data analysis. Soft Independent Modelling of Class Analogy was adopted as classification algorithm and the model was challenged with both new authentic oregano and in-house prepared blends. To the best of our knowledge, this is the first report of DART-MS and ASAP-MS used in full scan mode and coupled to chemometric modelling as rapid fingerprinting approach for food authentication. Although both the techniques provided satisfactory results, ASAP-MS clearly showed greater potential, leading to reproducible, diagnostic feature-rich mass spectra. For this reason, ASAP-MS was further tested under a more convoluted scenario, where the training and validation sets were enlarged with additional authentic oregano samples and a wider range of adulterant species, respectively. Overall good results were achieved, with 93% model predictive accuracy, and screening detection capability estimated between 5−20% (w/w) addition, depending on the adulterant considered with the only exception of majorana. Investigation of Q residuals could highlight the statistically-relevant chemical markers which could be tentatively annotated by coupling the ASAP probe with a high resolution mass analyser. The results from the validation study confirmed the great potential of ASAP-MS in combination with chemometrics as fast MS-based screening solution and demonstrated its feasibility for classification model building.
Tito Damiani; Nicola Dreolin; Sara Stead; Chiara Dall’Asta. Critical evaluation of ambient mass spectrometry coupled with chemometrics for the early detection of adulteration scenarios in Origanum vulgare L. Talanta 2021, 227, 122116 .
AMA StyleTito Damiani, Nicola Dreolin, Sara Stead, Chiara Dall’Asta. Critical evaluation of ambient mass spectrometry coupled with chemometrics for the early detection of adulteration scenarios in Origanum vulgare L. Talanta. 2021; 227 ():122116.
Chicago/Turabian StyleTito Damiani; Nicola Dreolin; Sara Stead; Chiara Dall’Asta. 2021. "Critical evaluation of ambient mass spectrometry coupled with chemometrics for the early detection of adulteration scenarios in Origanum vulgare L." Talanta 227, no. : 122116.
While aflatoxin metabolism in animals has been clarified, very limited information is so far available on the possible biotransformation occurring in plants. Therefore, this work aimed at investigating whether AFB1 metabolites could occur in field-grown infected maize and the putative role of Zea mays L. metabolism in their production. For such scope, asymptomatic in vitro–grown plantlets and in silico evaluations of plant transforming enzymes were used to pinpoint how plants may handle these compounds. Our data demonstrated the role of maize plants in the production of Phase I hydroxylated aflatoxins, including, among others, AFM1, AFM2, and aflatoxicol, and suggest that plant cytochromes may be involved in this biotransformation of AFB1.
Laura Righetti; Enrico Rolli; Luca Dellafiora; Gianni Galaverna; Michele Suman; Renato Bruni; Chiara Dall’Asta. Thinking Out of the Box: On the Ability of Zea mays L. to Biotrasform Aflatoxin B1 Into Its Modified Forms. Frontiers in Plant Science 2021, 11, 1 .
AMA StyleLaura Righetti, Enrico Rolli, Luca Dellafiora, Gianni Galaverna, Michele Suman, Renato Bruni, Chiara Dall’Asta. Thinking Out of the Box: On the Ability of Zea mays L. to Biotrasform Aflatoxin B1 Into Its Modified Forms. Frontiers in Plant Science. 2021; 11 ():1.
Chicago/Turabian StyleLaura Righetti; Enrico Rolli; Luca Dellafiora; Gianni Galaverna; Michele Suman; Renato Bruni; Chiara Dall’Asta. 2021. "Thinking Out of the Box: On the Ability of Zea mays L. to Biotrasform Aflatoxin B1 Into Its Modified Forms." Frontiers in Plant Science 11, no. : 1.
To cope with the presence of unfavorable compounds, plants are capable to biotransform xenobiotics, translocate both parent compounds and metabolites, perform compartmentation and segregation at cellular or tissue level. Such a scenario also applies to mycotoxins, fungal secondary metabolites with a preeminent role in plant infection. In this work, we aimed to describe the effect of the interplay between Zea mays and aflatoxin B1 (AFB1) at the tissue and organ level. To address this challenge, we used atmospheric‐pressure scanning microprobe matrix‐assisted laser desorption/ionization mass spectrometry imaging (AP‐SMALDI MSI) to investigate in situ and from a metabolomic standpoint the biotransformation, localization and the subsequent effects of AFB1 on primary and secondary metabolism of healthy maize plants. High spatial resolution (5 µm) provided fine localization of AFB1, which was located within the root intercellular spaces, and co‐localized with its phase I metabolite aflatoxin M2. We provided a parallel visualization of maize metabolic changes, induced in different organs and tissues by an accumulation of AFB1. According to our untargeted metabolomics investigation, anthocyanin biosynthesis and chlorophyll metabolism in roots are most affected. The biosynthesis of these metabolites appears to be inhibited by the AFB1 accumulation. On the other hand, metabolites found in above‐ground organs suggest that the presence of AFB1 may activate the biochemical response also in absence of an actual fungal infection; indeed several plant secondary metabolites known for their antimicrobial or antioxidant activities were localized in the outer tissues, such as phenylpropanoids, benzoxazinoid, phytohormones and lipids.
Laura Righetti; Dhaka Ram Bhandari; Enrico Rolli; Sara Tortorella; Renato Bruni; Chiara Dall’Asta; Bernhard Spengler. Unveiling the spatial distribution of aflatoxin B1 and plant defense metabolites in maize using AP‐SMALDI mass spectrometry imaging. The Plant Journal 2021, 106, 185 -199.
AMA StyleLaura Righetti, Dhaka Ram Bhandari, Enrico Rolli, Sara Tortorella, Renato Bruni, Chiara Dall’Asta, Bernhard Spengler. Unveiling the spatial distribution of aflatoxin B1 and plant defense metabolites in maize using AP‐SMALDI mass spectrometry imaging. The Plant Journal. 2021; 106 (1):185-199.
Chicago/Turabian StyleLaura Righetti; Dhaka Ram Bhandari; Enrico Rolli; Sara Tortorella; Renato Bruni; Chiara Dall’Asta; Bernhard Spengler. 2021. "Unveiling the spatial distribution of aflatoxin B1 and plant defense metabolites in maize using AP‐SMALDI mass spectrometry imaging." The Plant Journal 106, no. 1: 185-199.
Alternariol is a mycotoxin produced by Alternaria spp. relevant to the food safety area due to its abundance in certain foods. The shortage of data on its toxicology, also as a part of chemical mixtures, prevents setting regulation to limit its abundance in food. To extend knowledge on the possible mechanisms underpinning alternariol toxicology in chemical mixtures, this work assessed the effects of urolithin C, a structurally related gut ellagitannin-derived metabolite, on its absorption and phase II metabolism in a monolayer of Caco-2 cells. A computational study was also used to provide a mechanistic explanation for the results obtained. Urolithin C influenced transport and phase II metabolism of alternariol with a late reduction of transport to the basolateral compartment. Moreover, it caused an early effect in terms of accumulation of alternariol glucuronides in the basolateral compartment, followed by a late reduction of glucuronides in both compartments. Concerning alternariol sulfates, the data collected pointed to a possible competition of urolithin C for the sulfotransferases resulting in a reduced production of alternariol sulfates. Our results provide a compelling line-of-evidence pointing to the need to systematically tackle the evaluation of mycotoxin toxicity in the context of chemical mixture.
Francesco Crudo; Amelia Barilli; Pedro Mena; Bianca Maria Rotoli; Daniele Del Rio; Chiara Dall’Asta; Luca Dellafiora. An in vitro study on the transport and phase II metabolism of the mycotoxin alternariol in combination with the structurally related gut microbial metabolite urolithin C. Toxicology Letters 2021, 340, 15 -22.
AMA StyleFrancesco Crudo, Amelia Barilli, Pedro Mena, Bianca Maria Rotoli, Daniele Del Rio, Chiara Dall’Asta, Luca Dellafiora. An in vitro study on the transport and phase II metabolism of the mycotoxin alternariol in combination with the structurally related gut microbial metabolite urolithin C. Toxicology Letters. 2021; 340 ():15-22.
Chicago/Turabian StyleFrancesco Crudo; Amelia Barilli; Pedro Mena; Bianca Maria Rotoli; Daniele Del Rio; Chiara Dall’Asta; Luca Dellafiora. 2021. "An in vitro study on the transport and phase II metabolism of the mycotoxin alternariol in combination with the structurally related gut microbial metabolite urolithin C." Toxicology Letters 340, no. : 15-22.
The aim of this study is to review the innovative techniques based on bioprocessing, thermal or physical treatments which have been proposed during the last few decades to convert rice bran into a valuable food ingredient. Rice bran (Oryza sativa) is the main by-product of rice grain processing. It is produced in large quantities worldwide and it contains a high amount of valuable nutrients and bioactive compounds with significant health-related properties. Despite that, its application in food industry is still scarce because of its sensitivity to oxidation processes, instability and poor technological suitability. Furthermore, the health-related effects of pretreated rice bran are also presented in this review, considering the up-to-date literature focused on both in vivo and in vitro studies. Moreover, in relation to this aspect, a brief description of rice bran arabinoxylans is provided. Finally, the application of rice bran in the food industry and the main technology aspects are concisely summarized.
Marco Spaggiari; Chiara Dall’Asta; Gianni Galaverna; María Dolores Del Castillo Bilbao. Rice Bran By-Product: From Valorization Strategies to Nutritional Perspectives. Foods 2021, 10, 85 .
AMA StyleMarco Spaggiari, Chiara Dall’Asta, Gianni Galaverna, María Dolores Del Castillo Bilbao. Rice Bran By-Product: From Valorization Strategies to Nutritional Perspectives. Foods. 2021; 10 (1):85.
Chicago/Turabian StyleMarco Spaggiari; Chiara Dall’Asta; Gianni Galaverna; María Dolores Del Castillo Bilbao. 2021. "Rice Bran By-Product: From Valorization Strategies to Nutritional Perspectives." Foods 10, no. 1: 85.
We demonstrate a path towards full Quantum Mechanics (QM) characterization of enzymatic activity. As a case-study, we investigate the detoxification of aflatoxin, a carcinogenic food contaminant, by laccase, a versatile oxidase capable of—but not efficient for—degrading aflatoxin. We use a combination of quantitative experimentation and QM modeling to show that low enzymatic steric affinity for aflatoxin is the main bottleneck, rather that the oxidative activity of laccase. To identify the structural elements responsible for low reaction rates, we perform a density functional theory (DFT) based modeling of both the substrate and the enzyme in a full QM simulation of more than 7,000 atoms. Thanks to our approach we point to amino acid residues that determine the affinity of laccase for aflatoxin. We show that these residues are substrate-dependent, making a full QM approach necessary for enzyme optimization. Altogether, we establish a roadmap for rational enzyme engineering applicable beyond our case study.
Marco Zaccaria; William Dawson; Darius Russell Kish; Massimo Reverberi; Maria Carmela Bonaccorsi Di Patti; Marek Domin; Viviana Cristiglio; Luca Dellafiora; Frank Gabel; Takahito Nakajima; Luigi Genovese; Babak Momeni. Mechanistic Insight from Full Quantum Mechanical Modeling: Laccase as a Detoxifier of Aflatoxins. 2021, 1 .
AMA StyleMarco Zaccaria, William Dawson, Darius Russell Kish, Massimo Reverberi, Maria Carmela Bonaccorsi Di Patti, Marek Domin, Viviana Cristiglio, Luca Dellafiora, Frank Gabel, Takahito Nakajima, Luigi Genovese, Babak Momeni. Mechanistic Insight from Full Quantum Mechanical Modeling: Laccase as a Detoxifier of Aflatoxins. . 2021; ():1.
Chicago/Turabian StyleMarco Zaccaria; William Dawson; Darius Russell Kish; Massimo Reverberi; Maria Carmela Bonaccorsi Di Patti; Marek Domin; Viviana Cristiglio; Luca Dellafiora; Frank Gabel; Takahito Nakajima; Luigi Genovese; Babak Momeni. 2021. "Mechanistic Insight from Full Quantum Mechanical Modeling: Laccase as a Detoxifier of Aflatoxins." , no. : 1.
Scope Several studies suggest that regular coffee consumption may help preventing chronic diseases, but the impact of daily intake and the contribution of coffee metabolites in disease prevention are still unclear. The present study aimed at evaluating whether and how different patterns of coffee intake (one cup of espresso coffee/day, three cups of espresso coffee/day, one cup of espresso coffee/day and two cocoa‐based products containing coffee two times per day) might impact endogenous molecular pathways. Methods and Results A three‐arm, randomized, cross‐over trial was performed in 21 healthy volunteers who consumed each treatment for one month. Urine samples were collected to perform untargeted metabolomics based on UHPLC‐IMS‐HRMS. A total of 153 discriminant metabolites were identified. Several molecular features were associated with coffee consumption, while others were linked with different metabolic pathways, such as phenylalanine, tyrosine, energy metabolism, steroid hormone biosynthesis and arginine biosynthesis and metabolism. Conclusion This information has provided new insights into the metabolic routes by which coffee and coffee‐related metabolites may exert effects on human health. This article is protected by copyright. All rights reserved
Claudia Favari; Laura Righetti; Michele Tassotti; Lee Andrew Gethings; Daniela Martini; Alice Rosi; Monica Antonini; Josep Rubert; Claudine Manach; Alessandra Dei Cas; Riccardo Bonadonna; Furio Brighenti; Chiara Dall'asta; Pedro Mena; Daniele Del Rio. Metabolomic Changes after Coffee Consumption: New Paths on the Block. Molecular Nutrition & Food Research 2020, 65, e2000875 .
AMA StyleClaudia Favari, Laura Righetti, Michele Tassotti, Lee Andrew Gethings, Daniela Martini, Alice Rosi, Monica Antonini, Josep Rubert, Claudine Manach, Alessandra Dei Cas, Riccardo Bonadonna, Furio Brighenti, Chiara Dall'asta, Pedro Mena, Daniele Del Rio. Metabolomic Changes after Coffee Consumption: New Paths on the Block. Molecular Nutrition & Food Research. 2020; 65 (3):e2000875.
Chicago/Turabian StyleClaudia Favari; Laura Righetti; Michele Tassotti; Lee Andrew Gethings; Daniela Martini; Alice Rosi; Monica Antonini; Josep Rubert; Claudine Manach; Alessandra Dei Cas; Riccardo Bonadonna; Furio Brighenti; Chiara Dall'asta; Pedro Mena; Daniele Del Rio. 2020. "Metabolomic Changes after Coffee Consumption: New Paths on the Block." Molecular Nutrition & Food Research 65, no. 3: e2000875.
In the present work, the provenance discrimination of Argentinian honeys was used as case study to compare the capabilities of three spectroscopic techniques as fast screening platforms for honey authentication purposes. Multifloral honeys were collected among three main honey-producing regions of Argentina over four harvesting seasons. Each sample was fingerprinted by FT-MIR, NIR and FT-Raman spectroscopy. The spectroscopic platforms were compared on the basis of the classification performance achieved under a supervised chemometric approach. Furthermore, low- mid- and high-level data fusion were attempted in order to enhance the classification results. Finally, the best-performing solution underwent to SIMCA modelling with the purpose of reproducing a food authentication scenario. All the developed classification models underwent to a “year-by-year” validation strategy, enabling a sound assessment of their long-term robustness and excluding any issue of model overfitting. Excellent classification scores were achieved by all the technologies and nearly perfect classification was provided by FT-MIR. All the data fusion strategies provided satisfying outcomes, with the mid- and high-level approaches outperforming the low-level data fusion. However, no significant advantage over the FT-MIR alone was obtained. SIMCA modelling of FT-MIR data produced highly sensitive and specific models and an overall prediction ability improvement was achieved when more harvesting seasons were used for the model calibration (86.7% sensitivity and 91.1% specificity). The results obtained in the present work suggested the major potential of FT-MIR for fingerprinting-based honey authentication and demonstrated that accuracy levels that may be commercially useful can be reached. On the other hand, the combination of multiple vibrational spectroscopic fingerprints represents a choice that should be carefully evaluated from a cost/benefit standpoint within the industrial context.
Tito Damiani; Rosa M. Alonso-Salces; Inés Aubone; Vincent Baeten; Quentin Arnould; Chiara Dall’Asta; Sandra R. Fuselli; Juan Antonio Fernández Pierna. Vibrational Spectroscopy Coupled to a Multivariate Analysis Tiered Approach for Argentinean Honey Provenance Confirmation. Foods 2020, 9, 1450 .
AMA StyleTito Damiani, Rosa M. Alonso-Salces, Inés Aubone, Vincent Baeten, Quentin Arnould, Chiara Dall’Asta, Sandra R. Fuselli, Juan Antonio Fernández Pierna. Vibrational Spectroscopy Coupled to a Multivariate Analysis Tiered Approach for Argentinean Honey Provenance Confirmation. Foods. 2020; 9 (10):1450.
Chicago/Turabian StyleTito Damiani; Rosa M. Alonso-Salces; Inés Aubone; Vincent Baeten; Quentin Arnould; Chiara Dall’Asta; Sandra R. Fuselli; Juan Antonio Fernández Pierna. 2020. "Vibrational Spectroscopy Coupled to a Multivariate Analysis Tiered Approach for Argentinean Honey Provenance Confirmation." Foods 9, no. 10: 1450.
In the present study, we have characterized for the first time the volatile fraction of 20 pomegranate juices from fruits harvested in Northern Italy and southern Montenegro, by means of headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography–mass spectrometry technique (GC–MS). The volatile profile accounted for 57 compounds belonging mainly to three chemical classes: alcohols, aldehydes and terpenes. Thanks to advance chemometric analysis, the samples were clusterized according to the geographical origin, and the volatiles responsible for differentiation were identified, indicating that the use of volatile profile for discriminating between pomegranate ecotypes grown in different geographical areas is a promising approach. Overall, the chemical information acquired represents a very relevant tool for the retrieval and exploitation of minor varieties and in support of biodiversity of these promising geographical areas for pomegranate cultivation.
Deborah Beghè; Martina Cirlini; Elisa Beneventi; Čizmović Miroslav; Perović Tatjana; Tommaso Ganino; Raffaella Petruccelli; Chiara Dall’Asta. Volatile profile of Italian and Montenegrine pomegranate juices for geographical origin classification. European Food Research and Technology 2020, 247, 211 -220.
AMA StyleDeborah Beghè, Martina Cirlini, Elisa Beneventi, Čizmović Miroslav, Perović Tatjana, Tommaso Ganino, Raffaella Petruccelli, Chiara Dall’Asta. Volatile profile of Italian and Montenegrine pomegranate juices for geographical origin classification. European Food Research and Technology. 2020; 247 (1):211-220.
Chicago/Turabian StyleDeborah Beghè; Martina Cirlini; Elisa Beneventi; Čizmović Miroslav; Perović Tatjana; Tommaso Ganino; Raffaella Petruccelli; Chiara Dall’Asta. 2020. "Volatile profile of Italian and Montenegrine pomegranate juices for geographical origin classification." European Food Research and Technology 247, no. 1: 211-220.
This work presents a non-targeted high-resolution mass spectrometry inter-laboratory study for the detection of new chemical markers responsible of soft refined oils addition to extra virgin olive oils. Refined oils (soft deodorized and soft deacidified) were prepared on a laboratory scale starting from low-quality olive oils and analyzed together with a set of pure extra virgin olive oil (EVOO) samples and with mixtures of adulterated and pure EVOO at different percentages. The same analytical workflow was applied in two different laboratories equipped with two types of instrumentation (Q-Orbitrap and Q-TOF); a group of discriminant molecules was selected, and a tentative identification of compounds was also proposed. In summary, 12 molecules were identified as markers of this specific adulteration, and seven of them were selected as discriminative in both the laboratories, with a similar trend throughout the samples (i.e., propylene glycol 1 stearate). The results obtained in the two laboratories are comparable, concretely demonstrating the inter-laboratory repeatability of non-targeted studies. As a confirmation, the same markers were detected also in “in-house” mixtures and in suspect commercial deodorized mixtures, reinforcing the robustness of the results obtained and proving that, thanks to these molecules, mixtures containing at least 40% of adulterated oils can be detected.
Daniele Cavanna; Kamila Hurkova; Zbyněk Džuman; Andrea Serani; Matteo Serani; Chiara Dall'Asta; Monika Tomaniova; Jana Hajslova; Michele Suman. A Non-Targeted High-Resolution Mass Spectrometry Study for Extra Virgin Olive Oil Adulteration with Soft Refined Oils: Preliminary Findings from Two Different Laboratories. ACS Omega 2020, 5, 24169 -24178.
AMA StyleDaniele Cavanna, Kamila Hurkova, Zbyněk Džuman, Andrea Serani, Matteo Serani, Chiara Dall'Asta, Monika Tomaniova, Jana Hajslova, Michele Suman. A Non-Targeted High-Resolution Mass Spectrometry Study for Extra Virgin Olive Oil Adulteration with Soft Refined Oils: Preliminary Findings from Two Different Laboratories. ACS Omega. 2020; 5 (38):24169-24178.
Chicago/Turabian StyleDaniele Cavanna; Kamila Hurkova; Zbyněk Džuman; Andrea Serani; Matteo Serani; Chiara Dall'Asta; Monika Tomaniova; Jana Hajslova; Michele Suman. 2020. "A Non-Targeted High-Resolution Mass Spectrometry Study for Extra Virgin Olive Oil Adulteration with Soft Refined Oils: Preliminary Findings from Two Different Laboratories." ACS Omega 5, no. 38: 24169-24178.
Emodin, a widespread natural anthraquinone, has many biological activities including health-protective and adverse effects. Amongst beneficial effects, potential antiviral activity against coronavirus responsible for the severe acute respiratory syndrome outbreak in 2002–2003 has been described associated with the inhibition of the host cells target receptors recognition by the viral Spike protein. However, the inhibition mechanisms have not been fully characterized, hindering the rational use of emodin as a model compound to develop more effective analogues. This work investigates emodin interaction with the Spike protein to provide a mechanistic explanation of such inhibition. A 3D molecular modeling approach consisting of docking simulations, pharmacophoric analysis and molecular dynamics was used. The plausible mechanism is described as an interaction of emodin at the protein–protein interface which destabilizes the viral protein-target receptor complex. This analysis has been extended to the Spike protein of the coronavirus responsible for the current pandemic hypothesizing emodin’s functional conservation. This solid knowledge-based foothold provides a possible mechanistic rationale of the antiviral activity of emodin as a future basis for the potential development of efficient antiviral cognate compounds. Data gaps and future work on emodin-related adverse effects in parallel to its antiviral pharmacology are explored.
Luca Dellafiora; Jean Lou C M Dorne; Gianni Galaverna; Chiara Dall’Asta. Preventing the Interaction between Coronaviruses Spike Protein and Angiotensin I Converting Enzyme 2: An In Silico Mechanistic Case Study on Emodin as a Potential Model Compound. Applied Sciences 2020, 10, 6358 .
AMA StyleLuca Dellafiora, Jean Lou C M Dorne, Gianni Galaverna, Chiara Dall’Asta. Preventing the Interaction between Coronaviruses Spike Protein and Angiotensin I Converting Enzyme 2: An In Silico Mechanistic Case Study on Emodin as a Potential Model Compound. Applied Sciences. 2020; 10 (18):6358.
Chicago/Turabian StyleLuca Dellafiora; Jean Lou C M Dorne; Gianni Galaverna; Chiara Dall’Asta. 2020. "Preventing the Interaction between Coronaviruses Spike Protein and Angiotensin I Converting Enzyme 2: An In Silico Mechanistic Case Study on Emodin as a Potential Model Compound." Applied Sciences 10, no. 18: 6358.
Laura Righetti; Nicola Dreolin; Alberto Celma; Mike McCullagh; Gitte Barknowitz; Juan V. Sancho; Chiara Dall’Asta. Travelling Wave Ion Mobility-Derived Collision Cross Section for Mycotoxins: Investigating Interlaboratory and Interplatform Reproducibility. Journal of Agricultural and Food Chemistry 2020, 68, 10937 -10943.
AMA StyleLaura Righetti, Nicola Dreolin, Alberto Celma, Mike McCullagh, Gitte Barknowitz, Juan V. Sancho, Chiara Dall’Asta. Travelling Wave Ion Mobility-Derived Collision Cross Section for Mycotoxins: Investigating Interlaboratory and Interplatform Reproducibility. Journal of Agricultural and Food Chemistry. 2020; 68 (39):10937-10943.
Chicago/Turabian StyleLaura Righetti; Nicola Dreolin; Alberto Celma; Mike McCullagh; Gitte Barknowitz; Juan V. Sancho; Chiara Dall’Asta. 2020. "Travelling Wave Ion Mobility-Derived Collision Cross Section for Mycotoxins: Investigating Interlaboratory and Interplatform Reproducibility." Journal of Agricultural and Food Chemistry 68, no. 39: 10937-10943.
Scope Urolithin A and B are gut metabolites of ellagic acid and ellagitannins associated with many beneficial effects. Evidence in vitro pointed to their potential as estrogenic modulators. However, both molecular mechanisms and biological targets involved in such activity are still poorly characterized, preventing a comprehensive understanding of their bioactivity in living organisms. This study aimed at rationally identifying novel biological targets underlying the estrogenic‐modulatory activity of urolithins. Methods and Results The work relies on an in silico/in vitro target fishing study coupling molecular modeling with biochemical and cell‐based assays. Estrogen sulfotransferase and 17β‐hydroxysteroid dehydrogenase are identified as potentially subject to inhibition by the investigated urolithins. The inhibition of the latter undergoes experimental confirmation either in a cell‐free or cell‐based assay, validating computational outcomes. Conclusions The work describes target fishing as an effective tool to identify unexpected targets of food bioactives detailing the interaction at a molecular level. Specifically, it described, for the first time, 17β‐hydroxysteroid dehydrogenase as a target of urolithins and highlighted the need of further investigations to widen the understanding of urolithins as estrogen modulators in living organisms.
Luca Dellafiora; Marco Milioli; Angela Falco; Margherita Interlandi; Abdelrahman Mohamed; Martin Frotscher; Benedetta Riccardi; Paola Puccini; Daniele Del Rio; Gianni Galaverna; Chiara Dall'asta. A Hybrid In Silico/In Vitro Target Fishing Study to Mine Novel Targets of Urolithin A and B: A Step Towards a Better Comprehension of Their Estrogenicity. Molecular Nutrition & Food Research 2020, 64, e2000289 .
AMA StyleLuca Dellafiora, Marco Milioli, Angela Falco, Margherita Interlandi, Abdelrahman Mohamed, Martin Frotscher, Benedetta Riccardi, Paola Puccini, Daniele Del Rio, Gianni Galaverna, Chiara Dall'asta. A Hybrid In Silico/In Vitro Target Fishing Study to Mine Novel Targets of Urolithin A and B: A Step Towards a Better Comprehension of Their Estrogenicity. Molecular Nutrition & Food Research. 2020; 64 (16):e2000289.
Chicago/Turabian StyleLuca Dellafiora; Marco Milioli; Angela Falco; Margherita Interlandi; Abdelrahman Mohamed; Martin Frotscher; Benedetta Riccardi; Paola Puccini; Daniele Del Rio; Gianni Galaverna; Chiara Dall'asta. 2020. "A Hybrid In Silico/In Vitro Target Fishing Study to Mine Novel Targets of Urolithin A and B: A Step Towards a Better Comprehension of Their Estrogenicity." Molecular Nutrition & Food Research 64, no. 16: e2000289.
Molds of the genus Alternaria produce several mycotoxins, some of which may pose a threat for health due to their genotoxicity. Due to the lack of adequate toxicological and occurrence data, they are currently not regulated. Interactions between mycotoxins, gut microbiota and food constituents might occur after food ingestion, modifying the bioavailability and, therefore, overall toxicity of mycotoxins. The present work aimed to investigate the impact of in vitro short-term fecal incubation on the in vitro DNA-damaging effects exerted by 5 µg/mL of an Alternaria alternata extract, containing, among others, 15 nM alternariol, 12 nM alternariol monomethyl ether, 241 nM altertoxin II and 301 nM stemphyltoxin III, all of which are known as genotoxic. The involvement of microorganisms, undigested food constituents and soluble substances of human fecal samples in modifying the composition and the genotoxicity of the extract was investigated through the application of LC–MS/MS analysis and comet assays in HT-29 cells. Results showed that the potential of the mycotoxins to induce DNA strand breaks was almost completely quenched, even before anaerobic incubation, by contact with the different fractions of the fecal samples, while the potency to induce formamidopyrimidine DNA glycosylase (FPG)-sensitive sites was only slightly reduced. These effects were in line with a reduction of mycotoxin concentrations found in samples analyzed by LC–MS/MS. Although a direct correlation between the metabolic activity of the gut microbiota and modifications in mycotoxin contents was not clearly observed, adsorptive phenomena to bacterial cells and to undigested food constituents might explain the observed modifications.
Francesco Crudo; Georg Aichinger; Jovana Mihajlovic; Luca Dellafiora; Elisabeth Varga; Hannes Puntscher; Benedikt Warth; Chiara Dall'Asta; David Berry; Doris Marko. Gut microbiota and undigested food constituents modify toxin composition and suppress the genotoxicity of a naturally occurring mixture of Alternaria toxins in vitro. Archives of Toxicology 2020, 94, 3541 -3552.
AMA StyleFrancesco Crudo, Georg Aichinger, Jovana Mihajlovic, Luca Dellafiora, Elisabeth Varga, Hannes Puntscher, Benedikt Warth, Chiara Dall'Asta, David Berry, Doris Marko. Gut microbiota and undigested food constituents modify toxin composition and suppress the genotoxicity of a naturally occurring mixture of Alternaria toxins in vitro. Archives of Toxicology. 2020; 94 (10):3541-3552.
Chicago/Turabian StyleFrancesco Crudo; Georg Aichinger; Jovana Mihajlovic; Luca Dellafiora; Elisabeth Varga; Hannes Puntscher; Benedikt Warth; Chiara Dall'Asta; David Berry; Doris Marko. 2020. "Gut microbiota and undigested food constituents modify toxin composition and suppress the genotoxicity of a naturally occurring mixture of Alternaria toxins in vitro." Archives of Toxicology 94, no. 10: 3541-3552.
The xenoestrogenic mycotoxin zearalenone is a common food contaminant produced by Fusarium strains. The modified mycotoxin zearalenone-14-sulfate (Z14S) is formed in both fungi and mammals during the biotransformation of zearalenone. Cyclodextrins (CD) are cyclic oligosaccharides which can form host-guest type complexes with some mycotoxins, including zearalenone, zearalenols, and zearalenone-14-glucoside. As a result of the complex formation, the fluorescence signal of these mycotoxins strongly increases. Furthermore, CD polymers seem to be suitable for the extraction of some mycotoxins from aqueous solutions and beverages. In this study, the interaction of Z14S with CDs and soluble CD polymers was examined with fluorescence spectroscopy and molecular modeling. Furthermore, the removal of Z14S from aqueous solution by β-CD bead polymer (BBP) was also tested. Our results demonstrate the formation of stable Z14S-CD complexes (K = 0.1 to 5.0 × 104 L/mol). Dimethyl-β-CD (DIMEB) produced the most stable complexes with Z14S at pH 5.0 and 7.4. At pH 10.0, the binding constant of Z14S-DIMEB complex decreased and quaternary ammonium-β-CD showed similar affinity toward the mycotoxin than DIMEB. In addition, Z14S was successfully removed from aqueous solutions by BBP. Considering the above-listed observations, besides the parent mycotoxins, some of their modified/masked derivatives can also interact with CDs.
Zelma Faisal; Eszter Fliszár-Nyúl; Luca Dellafiora; Gianni Galaverna; Chiara Dall'Asta; Beáta Lemli; Sándor Kunsági-Máté; Lajos Szente; Miklós Poór. Interaction of zearalenone-14-sulfate with cyclodextrins and the removal of the modified mycotoxin from aqueous solution by beta-cyclodextrin bead polymer. Journal of Molecular Liquids 2020, 310, 113236 .
AMA StyleZelma Faisal, Eszter Fliszár-Nyúl, Luca Dellafiora, Gianni Galaverna, Chiara Dall'Asta, Beáta Lemli, Sándor Kunsági-Máté, Lajos Szente, Miklós Poór. Interaction of zearalenone-14-sulfate with cyclodextrins and the removal of the modified mycotoxin from aqueous solution by beta-cyclodextrin bead polymer. Journal of Molecular Liquids. 2020; 310 ():113236.
Chicago/Turabian StyleZelma Faisal; Eszter Fliszár-Nyúl; Luca Dellafiora; Gianni Galaverna; Chiara Dall'Asta; Beáta Lemli; Sándor Kunsági-Máté; Lajos Szente; Miklós Poór. 2020. "Interaction of zearalenone-14-sulfate with cyclodextrins and the removal of the modified mycotoxin from aqueous solution by beta-cyclodextrin bead polymer." Journal of Molecular Liquids 310, no. : 113236.
Emerging mycotoxins produced by Alternaria spp. were previously reported to exert cytotoxic, genotoxic, but also estrogenic effects in human cells. The involved mechanisms are very complex and not fully elucidated yet. Thus, we followed an in silico target fishing approach to extend knowledge on the possible biological targets underlying the activity of alternariol, taken as the signature compound of Alternaria toxins. Combining ligand-based screening and structure-based modeling, the ubiquitous casein kinase 2 (CK2) was identified as a potential target for the compound. This result was validated in a cell-free in vitro CK2 activity assay, where alternariol inhibited CK2 with an IC50 of 707 nM. As CK2 was recently discussed to influence estrogen receptor (ER) transcription and DNA-binding affinity, we assessed a potential impact on the mRNA levels of ERα or ERβ by qRT-PCR and on nuclear localization of the receptors by confocal microscopy, using estrogen-sensitive Ishikawa cells as a model. While AOH did not affect the transcription of ERα or ERβ, an increase in nuclear localization of ERα after incubation with 10 µM AOH was observed. However, this effect might be due to ER binding affinity and therefore estrogenicity of AOH. Furthermore, in silico docking simulation revealed not only AOH, but also a number of other Alternaria toxins as potential inhibitors of CK2, including alternariol monomethyl ether and the perylene quinone derivative altertoxin II (ATX-II). These findings were representatively confirmed in vitro for the perylene quinone derivative altertoxin II, which was found to inhibit the kinase with an IC50 of 5.1 µM. Taken together, we propose CK2 inhibition as an additional mechanism to consider in future studies for alternariol and several other Alternaria toxins.
Georg Aichinger; Luca Dellafiora; Foteini Pantazi; Giorgia Del Favero; Gianni Galaverna; Chiara Dall'Asta; Doris Marko. Alternaria toxins as casein kinase 2 inhibitors and possible consequences for estrogenicity: a hybrid in silico/in vitro study. Archives of Toxicology 2020, 94, 2225 -2237.
AMA StyleGeorg Aichinger, Luca Dellafiora, Foteini Pantazi, Giorgia Del Favero, Gianni Galaverna, Chiara Dall'Asta, Doris Marko. Alternaria toxins as casein kinase 2 inhibitors and possible consequences for estrogenicity: a hybrid in silico/in vitro study. Archives of Toxicology. 2020; 94 (6):2225-2237.
Chicago/Turabian StyleGeorg Aichinger; Luca Dellafiora; Foteini Pantazi; Giorgia Del Favero; Gianni Galaverna; Chiara Dall'Asta; Doris Marko. 2020. "Alternaria toxins as casein kinase 2 inhibitors and possible consequences for estrogenicity: a hybrid in silico/in vitro study." Archives of Toxicology 94, no. 6: 2225-2237.
Ochratoxin A (OTA), a mycotoxin that is of utmost concern in food and feed safety, is produced by fungal species that mainly belong to the Aspergillus and Penicillium genera. The development of mitigation strategies to reduce OTA content along the supply chains is key to ensuring safer production of food and feed. Enzyme-based strategies are among the most promising methods due to their specificity, efficacy, and multi-situ applicability. In particular, some enzymes are already known for hydrolyzing OTA into ochratoxin alpha (OTα) and phenylalanine (Phe), eventually resulting in detoxification action. Therefore, the discovery of novel OTA hydrolyzing enzymes, along with the advancement of an innovative approach for their identification, could provide a broader basis to develop more effective mitigating strategies in the future. In the present study, a hybrid in silico/in vitro workflow coupling virtual screening with enzymatic assays was applied in order to identify novel OTA hydrolyzing enzymes. Among the various hits, porcine carboxypeptidase B was identified for the first time as an effective OTA hydrolyzing enzyme. The successful experimental endorsement of findings of the workflow confirms that the presented strategy is suitable for identifying novel OTA hydrolyzing enzymes, and it might be relevant for the discovery of other mycotoxin- mitigating enzymes.
Luca Dellafiora; Christoph Gonaus; Barbara Streit; Gianni Galaverna; Wulf-Dieter Moll; Gudrun Vogtentanz; Gerd Schatzmayr; Chiara Dall’Asta; Shreenath Prasad. An In Silico Target Fishing Approach to Identify Novel Ochratoxin A Hydrolyzing Enzyme. Toxins 2020, 12, 258 .
AMA StyleLuca Dellafiora, Christoph Gonaus, Barbara Streit, Gianni Galaverna, Wulf-Dieter Moll, Gudrun Vogtentanz, Gerd Schatzmayr, Chiara Dall’Asta, Shreenath Prasad. An In Silico Target Fishing Approach to Identify Novel Ochratoxin A Hydrolyzing Enzyme. Toxins. 2020; 12 (4):258.
Chicago/Turabian StyleLuca Dellafiora; Christoph Gonaus; Barbara Streit; Gianni Galaverna; Wulf-Dieter Moll; Gudrun Vogtentanz; Gerd Schatzmayr; Chiara Dall’Asta; Shreenath Prasad. 2020. "An In Silico Target Fishing Approach to Identify Novel Ochratoxin A Hydrolyzing Enzyme." Toxins 12, no. 4: 258.
The proliferation of molds in domestic environments can lead to uncontrolled continuous exposure to mycotoxins. Even if not immediately symptomatic, this may result in chronic effects, such as, for instance, immunosuppression or allergenic promotion. Alternariol (AOH) is one of the most abundant mycotoxins produced by Alternaria alternata fungi, proliferating among others in fridges, as well as in humid walls. AOH was previously reported to have immunomodulatory potential. However, molecular mechanisms sustaining this effect remained elusive. In differentiated THP-1 macrophages, AOH hardly altered the secretion of pro-inflammatory mediators when co-incubated with lipopolysaccharide (LPS), opening up the possibility that the immunosuppressive potential of the toxin could be related to an alteration of a downstream pro-inflammatory signaling cascade. Intriguingly, the mycotoxin affected the membrane fluidity in macrophages and it synergistically reacted with the cholesterol binding agent MβCD. In silico modelling revealed the potential of the mycotoxin to intercalate in cholesterol-rich membrane domains, like caveolae, and immunofluorescence showed the modified interplay of caveolin-1 with Toll-like Receptor (TLR) 4. In conclusion, we identified the structural similarity with cholesterol as one of the key determinants of the immunomodulatory potential of AOH.
Giorgia Del Favero; Raphaela M. Mayer; Luca Dellafiora; Lukas Janker; Laura Niederstaetter; Chiara Dall’Asta; Christopher Gerner; Doris Marko. Structural Similarity with Cholesterol Reveals Crucial Insights into Mechanisms Sustaining the Immunomodulatory Activity of the Mycotoxin Alternariol. Cells 2020, 9, 847 .
AMA StyleGiorgia Del Favero, Raphaela M. Mayer, Luca Dellafiora, Lukas Janker, Laura Niederstaetter, Chiara Dall’Asta, Christopher Gerner, Doris Marko. Structural Similarity with Cholesterol Reveals Crucial Insights into Mechanisms Sustaining the Immunomodulatory Activity of the Mycotoxin Alternariol. Cells. 2020; 9 (4):847.
Chicago/Turabian StyleGiorgia Del Favero; Raphaela M. Mayer; Luca Dellafiora; Lukas Janker; Laura Niederstaetter; Chiara Dall’Asta; Christopher Gerner; Doris Marko. 2020. "Structural Similarity with Cholesterol Reveals Crucial Insights into Mechanisms Sustaining the Immunomodulatory Activity of the Mycotoxin Alternariol." Cells 9, no. 4: 847.
LTFPGSAED (P7) is a multifunctional hypocholesterolemic and hypoglycemic lupin peptide. While assessing its ACE-inhibitory activity, it was more effective in intestinal Caco-2 cells (IC50 13.7 µM) than in renal HK-2 cells (IC50 79.6 µM). This discrepancy was explained by the metabolic transformation mediated by intestinal peptidases, which produced two main detected peptides, TFPGSAED and LTFPG. Indeed LTFPG, dynamically generated by intestinal DPP-IV, as well as its parent peptide P7 were linearly absorbed by mature Caco-2 cells. An in silico study demonstrated that the metabolite was a better ligand of the ACE enzyme than P7. These results are in agreement with an in vivo study, previously performed by Aluko et al., which has shown that LTFPG is an effective hypotensive peptide. Our work highlights the dynamic nature of bioactive food peptides that may be modulated by the metabolic activity of intestinal cells.
Carmen Lammi; Gilda Aiello; Luca Dellafiora; Carlotta Bollati; Giovanna Boschin; Giulia Ranaldi; Simonetta Ferruzza; Yula Sambuy; Gianni Galaverna; Anna Arnoldi. Assessment of the Multifunctional Behavior of Lupin Peptide P7 and Its Metabolite Using an Integrated Strategy. Journal of Agricultural and Food Chemistry 2020, 68, 13179 -13188.
AMA StyleCarmen Lammi, Gilda Aiello, Luca Dellafiora, Carlotta Bollati, Giovanna Boschin, Giulia Ranaldi, Simonetta Ferruzza, Yula Sambuy, Gianni Galaverna, Anna Arnoldi. Assessment of the Multifunctional Behavior of Lupin Peptide P7 and Its Metabolite Using an Integrated Strategy. Journal of Agricultural and Food Chemistry. 2020; 68 (46):13179-13188.
Chicago/Turabian StyleCarmen Lammi; Gilda Aiello; Luca Dellafiora; Carlotta Bollati; Giovanna Boschin; Giulia Ranaldi; Simonetta Ferruzza; Yula Sambuy; Gianni Galaverna; Anna Arnoldi. 2020. "Assessment of the Multifunctional Behavior of Lupin Peptide P7 and Its Metabolite Using an Integrated Strategy." Journal of Agricultural and Food Chemistry 68, no. 46: 13179-13188.