A5023275492- Metabolomics and Mass Spectrometry Studies
- Computational Drug Discovery Methods
- Spectroscopy and Chemometric Analyses
- Chemistry Education and Research
- Ginkgo biloba and Cashew Applications
- Science and Education Research
- Analytical Chemistry and Chromatography
- Environmental Sustainability and Education
- Bioinformatics and Genomic Networks
- Molecular spectroscopy and chirality
- Diagnosis and Treatment of Venous Diseases
- Drug-Induced Hepatotoxicity and Protection
- Education during COVID-19 pandemic
- Business and Management Studies
- Venous Thromboembolism Diagnosis and Management
- Traditional Chinese Medicine Studies
- Cell Image Analysis Techniques
- Traditional Chinese Medicine Analysis
- Piperaceae Chemical and Biological Studies
- Education Pedagogy and Practices
- Horticultural and Viticultural Research
- Genetics, Bioinformatics, and Biomedical Research
- Biochemical Analysis and Sensing Techniques
- Nephrotoxicity and Medicinal Plants
- Education and Digital Technologies
Universidade Federal do Rio de Janeiro
2022-2024
Universidade do Estado do Pará
2021-2022
Understanding the distribution of hundreds thousands plant metabolites across kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075 extracts and developed plantMASST reference database encompassing 246 botanical families, 1,469 genera, 2,793 species. This taxonomically focused facilitates exploration plant-derived molecules using tandem mass spectrometry (MS/MS) spectra. tool will aid in drug discovery, biosynthesis, (chemo)taxonomy,...
Data Fusion-based Discovery (DAFdiscovery) is a pipeline designed to help users combine mass spectrometry (MS), nuclear magnetic resonance (NMR), and bioactivity data in notebook-based application accelerate annotation discovery of bioactive compounds. It applies Statistical Total Correlation Spectroscopy (STOCSY) HeteroSpectroscopy (SHY) calculation their using an easy-to-follow Jupyter Notebook.Different case studies are presented for benchmarking, the resultant outputs shown aid natural...
Peperomia pellucida is a species known in the Amazon as "erva-de-jabuti" that has been used several therapeutic applications based on folk medicine. Herein, we describe classes, subclasses, and main compounds of leaves, stems, roots from P. by ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry associated with molecular networks, mirror plot GNPS library, machine learning. These data show were annotated for first time genus, such...
Abstract Introduction We developed Data Base similarity (DBsimilarity), a user‐friendly tool designed to organize structure databases into networks, with the goal of facilitating visualization information primarily for natural product chemists who may not have coding experience. Method DBsimilarity, written in Jupyter Notebooks, converts Structure File (SDF) files Comma‐Separated Values (CSV) files, adds chemoinformatics data, constructs an MZMine custom database file and NMRfilter candidate...
Este estudo descreve a aplicação e análise de uma aula problematizadora sobre utilização descarte inadequado pilhas baterias, tendo o objetivo estimular sensibilização ambiental em alunos do 9° ano escola municipal ensino público. Nesse sentido, intervenção didática seguiu as seguintes etapas problematizadoras: (i) primeiramente, fez-se investigação dos conhecimentos prévios discentes por meio da um questionário; (ii) seguida, desenvolveu-se expositivo-dialogada abordando características...
The field of metabolomics has witnessed remarkable growth in the context natural products studies, with Mass Spectrometry (MS) being predominant analytical tool for data acquisition. However, MS inherent limitations when it comes to structural elucidation key metabolites, which can hinder comprehensive compound identification. This review paper discusses integration Nuclear Magnetic Resonance (NMR) spectroscopy as a complementary technique address these limitations. We explore concept...
Natural products and metabolomics are intrinsically linked by the efforts of analyzing complex mixtures for compound annotation. Although most studies that aims identification in use MS as main analysis technique, NMR has complementary advances worth exploring enhanced structure confidence. This review intends to showcase a portfolio tools available using NMR. COLMAR, SMART-NMR, MADByTE, NMRfilter presented examples collected with real samples from perspective natural chemist.
DAFdiscovery is a pipeline designed to help users combine NMR, MS and bioactivity data in notebook-based application accelerate annotation discovery of bioactive compounds. It applies Statistical Total Correlation (STOCSY) HeteroSpectroscopy (SHY) calculation their using an easy-to-follow Jupyter Notebook. Different case studies are presented for benchmarking, the resultant outputs shown aid natural products identification discovery. The goal encourage acquire NMR from samples (in replicated...
Introduction: This paper proposes DBsimilarity to organize structural databases into Similarity Networks better understand the rich information available. Method: was written in Jupyter Notebooks be easy follow and values readability. It converts SDF files CSV files, adds chemoinformatics data, constructs a MZMine custom database file NMRfilter candidate list of compounds for rapid dereplication MS 2D NMR calculates similarities between compounds, converted using Cytoscape. Results: The...
Juntamente com a pandemia da COVID-19 surgiu uma infodemia, principalmente de fake news, gerando caos, desordem social e desinformação. Diante disso, o objetivo deste estudo foi realizar um diagnóstico sobre conduta acadêmica frente às news relacionadas à COVID-19, buscando associar perfil dos participantes pesquisa aspectos do consumo compartilhamento das news. O público-alvo neste foram ingressos em cursos graduação, pós-graduandos, professores técnico-administrativos várias instituições...
DAFdiscovery is a pipeline designed to help users combine NMR, MS and bioactivity data in notebook-based application accelerate annotation discovery of bioactive compounds. It applies Statistical Total Correlation (STOCSY) HeteroSpectroscopy (SHY) calculation their using an easy-to-follow Jupyter Notebook. Different case studies are presented for benchmarking, the resultant outputs shown aid natural products identification discovery. The goal encourage acquire NMR from samples (in replicated...
O ensino de Química é indispensável para compreensão do mundo atual, porém, possui características desconexão entre os saberes educando e conteúdos programáticos da disciplina. É imprescindível a inserção metodologias facilitadoras aprendizagem, que auxiliem na formação crítica promoção reflexão sobre o conhecimento químico, agregando aspectos tecnológicos, ambientais socioeconômicos. Para vinculação educação sociedade são incluídos temas geradores no campo educacional. alumínio um...