Paulo Wender Portal Gomes
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View article: Optimization of the Extraction of Bioactive Compounds and Metabolomic Profile of Licaria armeniaca
Optimization of the Extraction of Bioactive Compounds and Metabolomic Profile of Licaria armeniaca Open
The ultrasound-assisted extraction (UAE) method was optimized to extract bioactive compounds from Licaria armeniaca tissues. Extraction time, solid–liquid ratio (m/v), and ethanol percentage were investigated using a central composite rota…
View article: Microbial lipid shifts in a multi-stage simulated gut
Microbial lipid shifts in a multi-stage simulated gut Open
Food residues that bypass human digestion are further digested by gut microbes, leading to the production of diverse metabolites, including lipids. To investigate how lipids are affected during this transition, we used a colon simulator wi…
View article: Author Correction: A universal language for finding mass spectrometry data patterns
Author Correction: A universal language for finding mass spectrometry data patterns Open
View article: The microbiome diversifies long- to short-chain fatty acid-derived N-acyl lipids
The microbiome diversifies long- to short-chain fatty acid-derived N-acyl lipids Open
N-Acyl lipids are important mediators of several biological processes including immune function and stress response. To enhance the detection of N-acyl lipids with untargeted mass spectrometry-based metabolomics, we created a reference spe…
View article: Enabling pan-repository reanalysis for big data science of public metabolomics data
Enabling pan-repository reanalysis for big data science of public metabolomics data Open
View article: <i>Ex Vivo</i> Interaction Between Human Gut Microbiota and Artemisinin: A Multi-Omics Perspective
<i>Ex Vivo</i> Interaction Between Human Gut Microbiota and Artemisinin: A Multi-Omics Perspective Open
Artemisia is a plant genus historically used in Ayurveda and traditional Chinese medicine for its diverse pharmacological properties. Among the many phytochemicals found in Artemisia species, artemisinin is notable for its an…
View article: A universal language for finding mass spectrometry data patterns
A universal language for finding mass spectrometry data patterns Open
Despite being information rich, the vast majority of untargeted mass spectrometry data are underutilized; most analytes are not used for downstream interpretation or reanalysis after publication. The inability to dive into these rich raw m…
View article: Fiber-reinforced cementitious composites: recent advances and future perspectives on key properties for high-performance design
Fiber-reinforced cementitious composites: recent advances and future perspectives on key properties for high-performance design Open
This paper comprehensively reviews fiber-reinforced concrete (FRC), focusing on workability, fiber-matrix interaction, mechanical properties, and thermo-mechanical behavior. The study investigates the influence of fiber volume and characte…
View article: A guide to reverse metabolomics—a framework for big data discovery strategy
A guide to reverse metabolomics—a framework for big data discovery strategy Open
View article: The International Space Station has a unique and extreme microbial and chemical environment driven by use patterns
The International Space Station has a unique and extreme microbial and chemical environment driven by use patterns Open
Space habitation provides unique challenges in built environments isolated from Earth. We produced a 3D map of the microbes and metabolites throughout the United States Orbital Segment (USOS) of the International Space Station (ISS) with 8…
View article: A guide to reverse metabolomics – a framework for big data discovery strategy.
A guide to reverse metabolomics – a framework for big data discovery strategy. Open
Untargeted metabolomics is evolving into a field of big data science. There is a growing interest within the metabolomics community in mining MS/MS-based data from public repositories. The theme of this protocol, reverse metabolomics, is a…
View article: A guide to reverse metabolomics – a framework for big data discovery strategy.
A guide to reverse metabolomics – a framework for big data discovery strategy. Open
Untargeted metabolomics is evolving into a field of big data science. There is a growing interest within the metabolomics community in mining MS/MS-based data from public repositories. The theme of this protocol, reverse metabolomics, is a…
View article: The microbiome diversifies<i>N</i>-acyl lipid pools - including short-chain fatty acid-derived compounds
The microbiome diversifies<i>N</i>-acyl lipid pools - including short-chain fatty acid-derived compounds Open
N -acyl lipids are important mediators of several biological processes including immune function and stress response. To enhance the detection of N -acyl lipids with untargeted mass spectrometry-based metabolomics, we created a reference s…
View article: Empirically establishing drug exposure records directly from untargeted metabolomics data
Empirically establishing drug exposure records directly from untargeted metabolomics data Open
Despite extensive efforts, extracting information on medication exposure from clinical records remains challenging. To complement this approach, we developed the tandem mass spectrometry (MS/MS) based GNPS Drug Library. This resource integ…
View article: Obtenção de UHPC utilizando sílica e RBMG
Obtenção de UHPC utilizando sílica e RBMG Open
O concreto de ultra alto desempenho (ultra-high performance concrete - UHPC) é um concreto especial de alta durabilidade que se destaca por sua resistência à compressão superior a 120 MPa. Isso se deve à sua estrutura densa e baixa porosid…
View article: Ordering molecular diversity in untargeted metabolomics via molecular community networking
Ordering molecular diversity in untargeted metabolomics via molecular community networking Open
Nature’s molecular diversity is not random but displays intricate organization stemming from biological necessity. Molecular networking connects metabolites with structural similarity, enabling molecular discoveries from mass spectrometry …
View article: Overview of the Metabolite Composition and Antioxidant Capacity of Seven Major and Minor Cereal Crops and Their Milling Fractions
Overview of the Metabolite Composition and Antioxidant Capacity of Seven Major and Minor Cereal Crops and Their Milling Fractions Open
Cereal grains play an important role in human health as a source of macro- and micronutrients, besides phytochemicals. The metabolite diversity was investigated in cereal crops and their milling fractions by untargeted metabolomics ultra-h…
View article: plantMASST - Community-driven chemotaxonomic digitization of plants
plantMASST - Community-driven chemotaxonomic digitization of plants Open
Understanding the distribution of hundreds of thousands of plant metabolites across the plant kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075 plant extracts and developed the plantMASS…
View article: Enabling pan-repository reanalysis for big data science of public metabolomics data
Enabling pan-repository reanalysis for big data science of public metabolomics data Open
Public untargeted metabolomics data is a growing resource for metabolite and phenotype discovery; however, accessing and utilizing these data across repositories pose significant challenges. Therefore, we've developed pan-repository univer…
View article: Co-occurrence network analysis reveals the alterations of the skin microbiome and metabolome in adults with mild to moderate atopic dermatitis
Co-occurrence network analysis reveals the alterations of the skin microbiome and metabolome in adults with mild to moderate atopic dermatitis Open
Skin microbiome can be altered in patients with atopic dermatitis (AD). An understanding of the changes from healthy to atopic skin can help develop new targets for treatment by identifying microbial and molecular biomarkers. This study in…
View article: microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data
microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data Open
View article: Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics Open
Despite the increasing availability of tandem mass spectrometry (MS/MS) community spectral libraries for untargeted metabolomics over the past decade, the majority of acquired MS/MS spectra remain uninterpreted. To further aid in interpret…
View article: Putative Identification of New Phragmaline-Type Limonoids from the Leaves of Swietenia macrophylla King: A Case Study Using Mass Spectrometry-Based Molecular Networking
Putative Identification of New Phragmaline-Type Limonoids from the Leaves of Swietenia macrophylla King: A Case Study Using Mass Spectrometry-Based Molecular Networking Open
Swietenia macrophylla King is a plant commonly known as Brazilian mahogany. The wood from its stem is highly prized for its exceptional quality, while its leaves are valued for their high content of phragmalin-type limonoids, a subclass of…
View article: The Hitchhiker’s Guide to Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data
The Hitchhiker’s Guide to Statistical Analysis of Feature-based Molecular Networks from Non-Targeted Metabolomics Data Open
Feature-Based Molecular Networking (FBMN) is a popular analysis approach for LC-MS/MS-based non-targeted metabolomics data. While processing LC-MS/MS data through FBMN is fairly streamlined, downstream data handling and statistical interro…
View article: Ex vivo study of molecular changes of stained teeth following hydrogen peroxide and peroxymonosulfate treatments
Ex vivo study of molecular changes of stained teeth following hydrogen peroxide and peroxymonosulfate treatments Open
White teeth can give confidence and tend to be associated with a healthier lifestyle in modern society. Therefore, tooth-bleaching strategies have been developed, including the use of hydrogen peroxide. Recently, peroxymonosulfate has been…
View article: Characterization of a tetrameric proanthocyanidin in Stryphnodendron pulcherrimum and an overview on potential health benefits of condensed tannins via interaction with gut microbiota
Characterization of a tetrameric proanthocyanidin in Stryphnodendron pulcherrimum and an overview on potential health benefits of condensed tannins via interaction with gut microbiota Open
Stryphnodendron pulcherrimum is a plant found in the Brazilian Amazon and contains high content of catechin/(epi)catechin (flavan-3-ol) derivatives. The polymerization of this kind of flavan-3-ol generates condensed tannins, often associat…
View article: (-)-5-Demethoxygrandisin B a New Lignan from Virola surinamensis (Rol.) Warb. Leaves: Evaluation of the Leishmanicidal Activity by In Vitro and In Silico Approaches
(-)-5-Demethoxygrandisin B a New Lignan from Virola surinamensis (Rol.) Warb. Leaves: Evaluation of the Leishmanicidal Activity by In Vitro and In Silico Approaches Open
Leishmaniasis is a complex disease caused by infection with different Leishmania parasites. The number of medications used for its treatment is still limited and the discovery of new drugs is a valuable approach. In this context, here we d…
View article: Co-Occurrence Network Analysis Reveals The Alterations Of The Skin Microbiome And Metabolome In Atopic Dermatitis Patients
Co-Occurrence Network Analysis Reveals The Alterations Of The Skin Microbiome And Metabolome In Atopic Dermatitis Patients Open
Skin microbiome can be altered in patients with Atopic Dermatitis (AD). An understanding of the changes from healthy to atopic skin can help develop new targets for better treatments and identify specific microbial or molecular biomarkers.…
View article: Reverse ethnopharmacological-guided study of Aristolochia trilabiata leaves - unveiling its antioxidant potential and chemical profile
Reverse ethnopharmacological-guided study of Aristolochia trilabiata leaves - unveiling its antioxidant potential and chemical profile Open
Oxidative stress, a contributing factor to numerous diseases such as inflammation, has sparked increased interest in the search for natural antioxidants known for their biodegradability and low toxicity. In this study, we investigated Aris…
View article: A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data
A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data Open
MicrobeMASST, a taxonomically-informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can s…