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  1. Article: Tomato classification using mass spectrometry-machine learning technique: A food safety-enhancing platform

    de Oliveira, Arthur Noin / Bolognini, Sophia Regina Frazatto / Navarro, Luiz Claudio / Delafiori, Jeany / Sales, Geovana Manzan / de Oliveira, Diogo Noin / Catharino, Rodrigo Ramos

    Food chemistry. 2023 Jan. 01, v. 398

    2023  

    Abstract: Food safety and quality assessment mechanisms are unmet needs that industries and countries have been continuously facing in recent years. Our study aimed at developing a platform using Machine Learning algorithms to analyze Mass Spectrometry data for ... ...

    Abstract Food safety and quality assessment mechanisms are unmet needs that industries and countries have been continuously facing in recent years. Our study aimed at developing a platform using Machine Learning algorithms to analyze Mass Spectrometry data for classification of tomatoes on organic and non-organic. Tomato samples were analyzed using silica gel plates and direct-infusion electrospray-ionization mass spectrometry technique. Decision Tree algorithm was tailored for data analysis. This model achieved 92% accuracy, 94% sensitivity and 90% precision in determining to which group each fruit belonged. Potential biomarkers evidenced differences in treatment and production for each group.
    Keywords algorithms ; biomarkers ; decision support systems ; electrospray ionization mass spectrometry ; food chemistry ; food safety ; fruits ; models ; silica gel ; tomatoes
    Language English
    Dates of publication 2023-0101
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 243123-3
    ISSN 1873-7072 ; 0308-8146
    ISSN (online) 1873-7072
    ISSN 0308-8146
    DOI 10.1016/j.foodchem.2022.133870
    Database NAL-Catalogue (AGRICOLA)

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  2. Article ; Online: Tomato classification using mass spectrometry-machine learning technique: A food safety-enhancing platform.

    de Oliveira, Arthur Noin / Bolognini, Sophia Regina Frazatto / Navarro, Luiz Claudio / Delafiori, Jeany / Sales, Geovana Manzan / de Oliveira, Diogo Noin / Catharino, Rodrigo Ramos

    Food chemistry

    2022  Volume 398, Page(s) 133870

    Abstract: Food safety and quality assessment mechanisms are unmet needs that industries and countries have been continuously facing in recent years. Our study aimed at developing a platform using Machine Learning algorithms to analyze Mass Spectrometry data for ... ...

    Abstract Food safety and quality assessment mechanisms are unmet needs that industries and countries have been continuously facing in recent years. Our study aimed at developing a platform using Machine Learning algorithms to analyze Mass Spectrometry data for classification of tomatoes on organic and non-organic. Tomato samples were analyzed using silica gel plates and direct-infusion electrospray-ionization mass spectrometry technique. Decision Tree algorithm was tailored for data analysis. This model achieved 92% accuracy, 94% sensitivity and 90% precision in determining to which group each fruit belonged. Potential biomarkers evidenced differences in treatment and production for each group.
    MeSH term(s) Algorithms ; Food Safety ; Lycopersicon esculentum/chemistry ; Machine Learning ; Spectrometry, Mass, Electrospray Ionization
    Language English
    Publishing date 2022-08-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 243123-3
    ISSN 1873-7072 ; 0308-8146
    ISSN (online) 1873-7072
    ISSN 0308-8146
    DOI 10.1016/j.foodchem.2022.133870
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Antioxidant, antimicrobial and healing properties of an extract from coffee pulp for the development of a phytocosmetic.

    Dos Santos, Érica Mendes / de Macedo, Lucas Malvezzi / Ataide, Janaína Artem / Delafiori, Jeany / de Oliveira Guarnieri, João Paulo / Rosa, Paulo César Pires / Ruiz, Ana Lucia Tasca Gois / Lancellotti, Marcelo / Jozala, Angela Faustino / Catharino, Rodrigo Ramos / Camargo, Gisele Anne / Paiva-Santos, Ana Cláudia / Mazzola, Priscila Gava

    Scientific reports

    2024  Volume 14, Issue 1, Page(s) 4453

    Abstract: Consumer demand for natural, chemical-free products has grown. Food industry residues, like coffee pulp, rich in caffeine, chlorogenic acid and phenolic compounds, offer potential for pharmaceutical and cosmetic applications due to their antioxidant, ... ...

    Abstract Consumer demand for natural, chemical-free products has grown. Food industry residues, like coffee pulp, rich in caffeine, chlorogenic acid and phenolic compounds, offer potential for pharmaceutical and cosmetic applications due to their antioxidant, anti-inflammatory, and antibacterial properties. Therefore, the objective of this work was to develop a phytocosmetic only with natural products containing coffee pulp extract as active pharmaceutical ingredient with antioxidant, antimicrobial and healing activity. Eight samples from Coffea arabica and Coffea canephora Pierre were analyzed for caffeine, chlorogenic acid, phenolic compounds, tannins, flavonoids, cytotoxicity, antibacterial activity, and healing potential. The Robusta IAC-extract had the greatest prominence with 192.92 μg/mL of chlorogenic acid, 58.98 ± 2.88 mg GAE/g sample in the FRAP test, 79.53 ± 5.61 mg GAE/g sample in the test of total phenolics, was not cytotoxic, and MIC 3 mg/mL against Staphylococcus aureus. This extract was incorporated into a stable formulation and preferred by 88% of volunteers. At last, a scratch assay exhibited the formulation promoted cell migration after 24 h, therefore, increased scratch retraction. In this way, it was possible to develop a phytocosmetic with the coffee pulp that showed desirable antioxidant, antimicrobial and healing properties.
    MeSH term(s) Humans ; Antioxidants/pharmacology ; Antioxidants/chemistry ; Caffeine/pharmacology ; Caffeine/chemistry ; Chlorogenic Acid/pharmacology ; Chlorogenic Acid/chemistry ; Plant Extracts/pharmacology ; Plant Extracts/chemistry ; Phenols/pharmacology ; Anti-Bacterial Agents/pharmacology ; Coffea/chemistry
    Chemical Substances Antioxidants ; Caffeine (3G6A5W338E) ; Chlorogenic Acid (318ADP12RI) ; Plant Extracts ; Phenols ; Anti-Bacterial Agents
    Language English
    Publishing date 2024-02-23
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-024-54797-0
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Metabolomics in chronic hepatitis C: Decoding fibrosis grading and underlying pathways.

    Ferrasi, Adriana Camargo / Lima, Samara Vitória Granja / Galvani, Aline Faria / Delafiori, Jeany / Dias-Audibert, Flavia Luísa / Catharino, Rodrigo Ramos / Silva, Giovanni Faria / Praxedes, Roberta Rodrigues / Santos, Driele Bretones / Almeida, Dayane Trevisan de Macedo / Lima, Estela Oliveira

    World journal of hepatology

    2023  Volume 15, Issue 11, Page(s) 1237–1249

    Abstract: Background: Chronic Hepatitis C (CHC) affects 71 million people globally and leads to liver issues such as fibrosis, cirrhosis, cancer, and death. A better understanding and prognosis of liver involvement are vital to reduce morbidity and mortality. The ...

    Abstract Background: Chronic Hepatitis C (CHC) affects 71 million people globally and leads to liver issues such as fibrosis, cirrhosis, cancer, and death. A better understanding and prognosis of liver involvement are vital to reduce morbidity and mortality. The accurate identification of the fibrosis stage is crucial for making treatment decisions and predicting outcomes. Tests used to grade fibrosis include histological analysis and imaging but have limitations. Blood markers such as molecular biomarkers can offer valuable insights into fibrosis.
    Aim: To identify potential biomarkers that might stratify these lesions and add information about the molecular mechanisms involved in the disease.
    Methods: Plasma samples were collected from 46 patients with hepatitis C and classified into fibrosis grades F1 (
    Results: Six differential metabolites were identified in each grade of fibrosis. This six-metabolite profile was able to establish a clustering tendency in patients with the same grade of fibrosis; thus, they showed greater efficiency in discriminating grades.
    Conclusion: This study suggests that some of the observed biomarkers, once validated, have the potential to be applied as prognostic biomarkers. Furthermore, it suggests that liquid biopsy analyses of plasma metabolites are a good source of molecular biomarkers capable of stratifying patients with CHC according to fibrosis grade.
    Language English
    Publishing date 2023-12-06
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2573703-X
    ISSN 1948-5182
    ISSN 1948-5182
    DOI 10.4254/wjh.v15.i11.1237
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Effect of in vitro digestion on the bioaccessibility and bioactivity of phenolic compounds in fractions of Eugenia pyriformis fruit

    de Paulo Farias, David / de Araújo, Fábio Fernandes / Neri-Numa, Iramaia Angélica / Dias-Audibert, Flávia Luísa / Delafiori, Jeany / Catharino, Rodrigo Ramos / Pastore, Glaucia Maria

    Food research international. 2021 Dec., v. 150

    2021  

    Abstract: Uvaia is a Brazilian fruit species that has great economic and nutritional potential, in addition to being a good source of compounds of biological interest. In this study, we evaluated for the first time the influence of in vitro gastrointestinal ... ...

    Abstract Uvaia is a Brazilian fruit species that has great economic and nutritional potential, in addition to being a good source of compounds of biological interest. In this study, we evaluated for the first time the influence of in vitro gastrointestinal digestion on the bioaccessibility and bioactivity of phenolic compounds from two fractions of uvaia (edible and seed). It was observed that the content of total phenolic compounds was about 3 times higher in the seed (undigested extract), but reduced significantly after intestinal digestion (-50.08%). In turn, the total flavonoid content was about 5 times higher in the undigested seed extract. After intestinal digestion, the flavonoid content increased in the edible fraction (+109.49%) and decreased in the uvaia seed (-70.20%). The heatmap analysis showed that after intestinal digestion, there was an increase in the relative intensity of the flavonoids, while phenolic acids reduced their intensity. The antioxidant capacity of the undigested extract was 4–7 times greater for the seed, but decreased after intestinal digestion (-8.04–27.23%), while the antioxidant capacity of the edible fraction increased by 72.12–107.89% in this same stage of digestion. Thus, the content of phenolic compounds and antioxidant capacity were higher in the uvaia seed, and the bioaccessibility of the bioactive compounds in this fruit were dependent on the fraction and digestive phase evaluated. These results can contribute to the establishment of uvaia as a novel ingredient for preparations with functional claims.
    Keywords Eugenia pyriformis ; antioxidant activity ; bioavailability ; digestion ; flavonoids ; food research ; fruits ; ingredients ; intestines ; nutrient content ; seed extracts
    Language English
    Dates of publication 2021-12
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 1111695-x
    ISSN 1873-7145 ; 0963-9969
    ISSN (online) 1873-7145
    ISSN 0963-9969
    DOI 10.1016/j.foodres.2021.110767
    Database NAL-Catalogue (AGRICOLA)

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  6. Article ; Online: Comparative metabolomic profiling of women undergoing in vitro fertilization procedures reveals potential infertility-related biomarkers in follicular fluid.

    Dabaja, Mohamed Ziad / Dos Santos, Aline Amaro / Christofolini, Denise Maria / Barbosa, Caio Parente / de Oliveira, Diogo Noin / de Oliveira, Arthur Noin / Melo, Carlos Fernando Odir Rodrigues / Guerreiro, Tatiane Melina / Catharino, Rodrigo Ramos

    Scientific reports

    2022  Volume 12, Issue 1, Page(s) 20531

    Abstract: Infertility is a worldwide concern, affecting one in six couples throughout their reproductive period. Therefore, enhancing the clinical tools available to identify the causes of infertility may save time, money, and emotional distress for the involved ... ...

    Abstract Infertility is a worldwide concern, affecting one in six couples throughout their reproductive period. Therefore, enhancing the clinical tools available to identify the causes of infertility may save time, money, and emotional distress for the involved parties. This study aims to annotate potential biomarkers in follicular fluid that are negatively affecting pregnancy outcomes in women suffering infertility-related diseases such as endometriosis, tuboperitoneal factor, uterine factor, and unexplained infertility, using a metabolomics approach through high-resolution mass spectrometry. Follicular fluid samples collected from women who have the abovementioned diseases and managed to become pregnant after in vitro fertilization procedures [control group (CT)] were metabolically compared with those from women who suffer from the same diseases and could not get pregnant after the same treatment [infertile group (IF)]. Mass spectrometry analysis indicated 10 statistically relevant differential metabolites in the IF group, including phosphatidic acids, phosphatidylethanolamines, phosphatidylcholines, phosphatidylinositol, glucosylceramides, and 1-hydroxyvitamin D3 3-D-glucopyranoside. These metabolites are associated with cell signaling, cell proliferation, inflammation, oncogenesis, and apoptosis, and linked to infertility problems. Our results indicate that understanding the IF's metabolic profile may result in a faster and more assertive female infertility diagnosis, lowering the costs, and increasing the probability of a positive pregnancy outcome.
    MeSH term(s) Female ; Humans ; Pregnancy ; Follicular Fluid ; Fertilization in Vitro ; Metabolomics ; Biomarkers ; Infertility, Female/therapy
    Chemical Substances Biomarkers
    Language English
    Publishing date 2022-11-29
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-022-24775-5
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article: Metabolic alterations in Strongyloidiasis stool samples unveil potential biomarkers of infection

    Montanhaur, Allan Daniel Ribeiro Sotelo / Lima, Estela de Oliveira / Delafiori, Jeany / Esteves, Cibele Zanardi / Prado, César Corat Ribeiro / Allegretti, Silmara Marques / Ueta, Marlene Tiduko / Levy, Carlos Emílio / Catharino, Rodrigo Ramos

    Acta tropica. 2022 Mar., v. 227

    2022  

    Abstract: Strongyloidiasis, a parasitosis caused by Strongyloides stercoralis in humans, is a very prevalent infection in tropical or subtropical areas. Gaps on public health strategies corroborates to the high global incidence of strongyloidiasis especially due ... ...

    Abstract Strongyloidiasis, a parasitosis caused by Strongyloides stercoralis in humans, is a very prevalent infection in tropical or subtropical areas. Gaps on public health strategies corroborates to the high global incidence of strongyloidiasis especially due to challenges involved on its diagnosis. Based on the lack of a gold-standard diagnostic tool, we aimed to present a metabolomic study for the assessment of stool metabolic alterations. Stool samples were collected from 25 patients segregated into positive for strongyloidiasis (n = 10) and negative control (n = 15) and prepared for direct injection high-resolution mass spectrometry analysis. Using metabolomics workflow, 18 metabolites were annotated increased or decreased in strongyloidiasis condition, from which a group of 5 biomarkers comprising caprylic acid, mannitol, glucose, lysophosphatidylinositol and hydroxy-dodecanoic acid demonstrated accuracy over 89% to be explored as potential markers. The observed metabolic alteration in stool samples indicates involvement of microbiota remodeling, parasite constitution, and host response during S. stercoralis infection.
    Keywords Strongyloides stercoralis ; biomarkers ; diagnostic techniques ; glucose ; mannitol ; mass spectrometry ; metabolites ; metabolomics ; microorganisms ; octanoic acid ; parasites ; public health ; strongyloidiasis
    Language English
    Dates of publication 2022-03
    Publishing place Elsevier B.V.
    Document type Article
    ZDB-ID 210415-5
    ISSN 1873-6254 ; 0001-706X
    ISSN (online) 1873-6254
    ISSN 0001-706X
    DOI 10.1016/j.actatropica.2021.106279
    Database NAL-Catalogue (AGRICOLA)

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  8. Article ; Online: Capillary-induced Homogenization of Matrix in Paper: A Powerful Approach for the Quantification of Active Pharmaceutical Ingredients Using Mass Spectrometry Imaging.

    de Menezes, Maico / de Oliveira, Diogo Noin / Catharino, Rodrigo Ramos

    Scientific reports

    2016  Volume 6, Page(s) 29970

    Abstract: Herein we present a novel approach for the quantification of active pharmaceutical ingredients (APIs) using mass spectrometry imaging. This strategy uses a filter paper previously "eluted" with a MALDI matrix solution as a support for analyte application. ...

    Abstract Herein we present a novel approach for the quantification of active pharmaceutical ingredients (APIs) using mass spectrometry imaging. This strategy uses a filter paper previously "eluted" with a MALDI matrix solution as a support for analyte application. Samples are submitted to mass spectrometry imaging (MSI) and quantification through characteristic fingerprints is ultimately performed. Results for the content of rosuvastatin from a known formulation are comparable to those obtained with a validated HPLC method.
    Language English
    Publishing date 2016-07-21
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/srep29970
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Metabolic alterations in Strongyloidiasis stool samples unveil potential biomarkers of infection.

    Montanhaur, Allan Daniel Ribeiro Sotelo / Lima, Estela de Oliveira / Delafiori, Jeany / Esteves, Cibele Zanardi / Prado, César Corat Ribeiro / Allegretti, Silmara Marques / Ueta, Marlene Tiduko / Levy, Carlos Emílio / Catharino, Rodrigo Ramos

    Acta tropica

    2021  Volume 227, Page(s) 106279

    Abstract: Strongyloidiasis, a parasitosis caused by Strongyloides stercoralis in humans, is a very prevalent infection in tropical or subtropical areas. Gaps on public health strategies corroborates to the high global incidence of strongyloidiasis especially due ... ...

    Abstract Strongyloidiasis, a parasitosis caused by Strongyloides stercoralis in humans, is a very prevalent infection in tropical or subtropical areas. Gaps on public health strategies corroborates to the high global incidence of strongyloidiasis especially due to challenges involved on its diagnosis. Based on the lack of a gold-standard diagnostic tool, we aimed to present a metabolomic study for the assessment of stool metabolic alterations. Stool samples were collected from 25 patients segregated into positive for strongyloidiasis (n = 10) and negative control (n = 15) and prepared for direct injection high-resolution mass spectrometry analysis. Using metabolomics workflow, 18 metabolites were annotated increased or decreased in strongyloidiasis condition, from which a group of 5 biomarkers comprising caprylic acid, mannitol, glucose, lysophosphatidylinositol and hydroxy-dodecanoic acid demonstrated accuracy over 89% to be explored as potential markers. The observed metabolic alteration in stool samples indicates involvement of microbiota remodeling, parasite constitution, and host response during S. stercoralis infection.
    MeSH term(s) Animals ; Biomarkers ; Feces/parasitology ; Humans ; Strongyloides stercoralis ; Strongyloidiasis/epidemiology
    Chemical Substances Biomarkers
    Language English
    Publishing date 2021-12-27
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 210415-5
    ISSN 1873-6254 ; 0001-706X
    ISSN (online) 1873-6254
    ISSN 0001-706X
    DOI 10.1016/j.actatropica.2021.106279
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Effect of in vitro digestion on the bioaccessibility and bioactivity of phenolic compounds in fractions of Eugenia pyriformis fruit.

    de Paulo Farias, David / de Araújo, Fábio Fernandes / Neri-Numa, Iramaia Angélica / Dias-Audibert, Flávia Luísa / Delafiori, Jeany / Catharino, Rodrigo Ramos / Pastore, Glaucia Maria

    Food research international (Ottawa, Ont.)

    2021  Volume 150, Issue Pt A, Page(s) 110767

    Abstract: Uvaia is a Brazilian fruit species that has great economic and nutritional potential, in addition to being a good source of compounds of biological interest. In this study, we evaluated for the first time the influence of in vitro gastrointestinal ... ...

    Abstract Uvaia is a Brazilian fruit species that has great economic and nutritional potential, in addition to being a good source of compounds of biological interest. In this study, we evaluated for the first time the influence of in vitro gastrointestinal digestion on the bioaccessibility and bioactivity of phenolic compounds from two fractions of uvaia (edible and seed). It was observed that the content of total phenolic compounds was about 3 times higher in the seed (undigested extract), but reduced significantly after intestinal digestion (-50.08%). In turn, the total flavonoid content was about 5 times higher in the undigested seed extract. After intestinal digestion, the flavonoid content increased in the edible fraction (+109.49%) and decreased in the uvaia seed (-70.20%). The heatmap analysis showed that after intestinal digestion, there was an increase in the relative intensity of the flavonoids, while phenolic acids reduced their intensity. The antioxidant capacity of the undigested extract was 4-7 times greater for the seed, but decreased after intestinal digestion (-8.04-27.23%), while the antioxidant capacity of the edible fraction increased by 72.12-107.89% in this same stage of digestion. Thus, the content of phenolic compounds and antioxidant capacity were higher in the uvaia seed, and the bioaccessibility of the bioactive compounds in this fruit were dependent on the fraction and digestive phase evaluated. These results can contribute to the establishment of uvaia as a novel ingredient for preparations with functional claims.
    MeSH term(s) Antioxidants ; Digestion ; Eugenia ; Fruit/chemistry ; Phenols/analysis
    Chemical Substances Antioxidants ; Phenols
    Language English
    Publishing date 2021-10-19
    Publishing country Canada
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1111695-x
    ISSN 1873-7145 ; 0963-9969
    ISSN (online) 1873-7145
    ISSN 0963-9969
    DOI 10.1016/j.foodres.2021.110767
    Database MEDical Literature Analysis and Retrieval System OnLINE

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