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Nature represents an amazing source of inspiration, since it produces a great diversity of natural compounds selected by evolution, which exhibit multiple biological activities and applications. A large and very active research field is dedicated to identifying biosynthesized compounds, to improve/develop new methodologies, to produce/reuse natural compounds, and to assess their potential for pharmaceutical, cosmetic and food industries, among others, and additionally, to understand their mechanism of action. This book is dedicated to presenting the most recent results on the development of natural compounds’ applications. Ten original research works, organized by applications, and two reviews are included. Each of them contributes to the knowledge advance, insofar as they present new applications for known products, new methodologies to obtain new products, or the evaluation of a given application, with the applications related to health promotion being the most frequently considered. These works are significant contributions and reinforce the dynamic field of natural products’ applications.

amino acid metabolism --- carvacrol --- metabolomics data --- oxidative stress --- Penicillium digitatum --- Prangos pabularia Lindl. --- volatile oil --- PTP-1B --- osthole --- 5-pentylcyclohexa-1,3-diene --- antidiabetic activity --- chalcones --- aldol condensation --- biological activity --- flavanones --- cytotoxic --- antioxidant --- anticholinesterase --- Maytenus --- celastroloids --- semisynthesis --- antibacterial activity --- structure–activity relationship --- rosemary --- rosmarinic acid --- anticancer --- antidiabetic --- cardioprotective --- Helianthus annuus --- Helianthus strumosus --- Aspergillus niger --- Candida albicans --- Cryptococcus neoformans --- α-pinene --- oleracone --- flavonoid --- anti-aging --- longevity --- Portulaca oleracea L. --- Caenorhabditis elegans --- total synthesis --- pimenta d’água --- Candida --- fungistatic effect --- inhibition of dimorphism --- GC/MS --- colorectal cancer --- Salviae miltiorrhizae radix --- apoptosis --- honey --- propolis --- phenolic compounds --- wound-healing activity --- NHDF cells --- Asteraceae --- sesquiterpene lactones --- alantolactone --- arglabin --- parthenolide --- thapsigargin --- in vivo study --- anti-inflammatory --- almond --- byproducts --- chlorogenic acid --- design of experiment --- phenolic acids --- ultrasound-assisted extraction --- natural compounds --- therapeutic applications --- essential oils --- antimicrobial --- antitumor --- SAR

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Metabolomics data analysis strategies are central to transforming raw metabolomics data files into meaningful biochemical interpretations that answer biological questions or generate novel hypotheses. This book contains a variety of papers from a Special Issue around the theme “Best Practices in Metabolomics Data Analysis”. Reviews and strategies for the whole metabolomics pipeline are included, whereas key areas such as metabolite annotation and identification, compound and spectral databases and repositories, and statistical analysis are highlighted in various papers. Altogether, this book contains valuable information for researchers just starting in their metabolomics career as well as those that are more experienced and look for additional knowledge and best practice to complement key parts of their metabolomics workflows.

Research & information: general --- metabolic networks --- mass spectral libraries --- metabolite annotation --- metabolomics data mapping --- nontarget analysis --- liquid chromatography mass spectrometry --- compound identification --- tandem mass spectral library --- forensics --- wastewater --- gut microbiome --- meta-omics --- metagenomics --- metabolomics --- metabolic reconstructions --- genome-scale metabolic modeling --- constraint-based modeling --- flux balance --- host–microbiome --- metabolism --- global metabolomics --- LC-MS --- spectra processing --- pathway analysis --- enrichment analysis --- mass spectrometry --- liquid chromatography --- MS spectral prediction --- metabolite identification --- structure-based chemical classification --- rule-based fragmentation --- combinatorial fragmentation --- time series --- PLS --- NPLS --- variable selection --- bootstrapped-VIP --- data repository --- computational metabolomics --- reanalysis --- lipidomics --- data processing --- triplot --- multivariate risk modeling --- environmental factors --- disease risk --- chemical classification --- in silico workflows --- metabolome mining --- molecular families --- networking --- substructures --- mass spectrometry imaging --- metabolomics imaging --- biostatistics --- ion selection algorithms --- liquid chromatography high-resolution mass spectrometry --- data-independent acquisition --- all ion fragmentation --- targeted analysis --- untargeted analysis --- R programming --- full-scan MS/MS processing --- R-MetaboList 2 --- liquid chromatography–mass spectrometry (LC/MS) --- fragmentation (MS/MS) --- data-dependent acquisition (DDA) --- simulator --- in silico --- untargeted metabolomics --- liquid chromatography–mass spectrometry (LC-MS) --- experimental design --- sample preparation --- univariate and multivariate statistics --- metabolic pathway and network analysis --- LC–MS --- metabolic profiling --- computational statistical --- unsupervised learning --- supervised learning --- metabolic networks --- mass spectral libraries --- metabolite annotation --- metabolomics data mapping --- nontarget analysis --- liquid chromatography mass spectrometry --- compound identification --- tandem mass spectral library --- forensics --- wastewater --- gut microbiome --- meta-omics --- metagenomics --- metabolomics --- metabolic reconstructions --- genome-scale metabolic modeling --- constraint-based modeling --- flux balance --- host–microbiome --- metabolism --- global metabolomics --- LC-MS --- spectra processing --- pathway analysis --- enrichment analysis --- mass spectrometry --- liquid chromatography --- MS spectral prediction --- metabolite identification --- structure-based chemical classification --- rule-based fragmentation --- combinatorial fragmentation --- time series --- PLS --- NPLS --- variable selection --- bootstrapped-VIP --- data repository --- computational metabolomics --- reanalysis --- lipidomics --- data processing --- triplot --- multivariate risk modeling --- environmental factors --- disease risk --- chemical classification --- in silico workflows --- metabolome mining --- molecular families --- networking --- substructures --- mass spectrometry imaging --- metabolomics imaging --- biostatistics --- ion selection algorithms --- liquid chromatography high-resolution mass spectrometry --- data-independent acquisition --- all ion fragmentation --- targeted analysis --- untargeted analysis --- R programming --- full-scan MS/MS processing --- R-MetaboList 2 --- liquid chromatography–mass spectrometry (LC/MS) --- fragmentation (MS/MS) --- data-dependent acquisition (DDA) --- simulator --- in silico --- untargeted metabolomics --- liquid chromatography–mass spectrometry (LC-MS) --- experimental design --- sample preparation --- univariate and multivariate statistics --- metabolic pathway and network analysis --- LC–MS --- metabolic profiling --- computational statistical --- unsupervised learning --- supervised learning

Choose an application

• Reference Manager
• EndNote
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Metabolomics data analysis strategies are central to transforming raw metabolomics data files into meaningful biochemical interpretations that answer biological questions or generate novel hypotheses. This book contains a variety of papers from a Special Issue around the theme “Best Practices in Metabolomics Data Analysis”. Reviews and strategies for the whole metabolomics pipeline are included, whereas key areas such as metabolite annotation and identification, compound and spectral databases and repositories, and statistical analysis are highlighted in various papers. Altogether, this book contains valuable information for researchers just starting in their metabolomics career as well as those that are more experienced and look for additional knowledge and best practice to complement key parts of their metabolomics workflows.

metabolic networks --- mass spectral libraries --- metabolite annotation --- metabolomics data mapping --- nontarget analysis --- liquid chromatography mass spectrometry --- compound identification --- tandem mass spectral library --- forensics --- wastewater --- gut microbiome --- meta-omics --- metagenomics --- metabolomics --- metabolic reconstructions --- genome-scale metabolic modeling --- constraint-based modeling --- flux balance --- host–microbiome --- metabolism --- global metabolomics --- LC-MS --- spectra processing --- pathway analysis --- enrichment analysis --- mass spectrometry --- liquid chromatography --- MS spectral prediction --- metabolite identification --- structure-based chemical classification --- rule-based fragmentation --- combinatorial fragmentation --- time series --- PLS --- NPLS --- variable selection --- bootstrapped-VIP --- data repository --- computational metabolomics --- reanalysis --- lipidomics --- data processing --- triplot --- multivariate risk modeling --- environmental factors --- disease risk --- chemical classification --- in silico workflows --- metabolome mining --- molecular families --- networking --- substructures --- mass spectrometry imaging --- metabolomics imaging --- biostatistics --- ion selection algorithms --- liquid chromatography high-resolution mass spectrometry --- data-independent acquisition --- all ion fragmentation --- targeted analysis --- untargeted analysis --- R programming --- full-scan MS/MS processing --- R-MetaboList 2 --- liquid chromatography–mass spectrometry (LC/MS) --- fragmentation (MS/MS) --- data-dependent acquisition (DDA) --- simulator --- in silico --- untargeted metabolomics --- liquid chromatography–mass spectrometry (LC-MS) --- experimental design --- sample preparation --- univariate and multivariate statistics --- metabolic pathway and network analysis --- LC–MS --- metabolic profiling --- computational statistical --- unsupervised learning --- supervised learning