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"The Global Impact of Ergot Alkaloids" addresses the very broad topic of ergot alkaloids and the influence that they have on many facets of life. The content in this Special Issue pertains to research studying fungi, plants, livestock, and humans. While the perspectives of each paper may differ, the common aspect is the interest and emphasis on ergot alkaloids. These compounds cross the spectrum from feared toxins to potential pharmaceutical discoveries. The research included spans the globe and has content that will attract the interest of readers from many different backgrounds.

Medicine --- Medical toxicology --- ergot alkaloids --- strain improvement --- UV --- EMS --- Penicillium citrinum --- response surface methodology --- PBD --- BBD --- integrative interactomics --- integrome --- metabolomics --- microbiome --- tall fescue --- Epichloë coenophiala --- fescue toxicosis --- ergot alkaloid occurrence --- sclerotia --- cereals --- LC-MS/MS --- correlation --- survey --- beef cattle --- endophyte --- ergot alkaloid --- isoflavone --- metabolites --- genetic tolerance --- cytokines --- cow productivity --- CRISPR/Cas9 --- non-transgenic engineered fungi --- genome editing --- genome sequencing --- MinION --- nanopore --- secondary metabolites --- endophyte transmission --- livestock safety --- insect testing --- quality control --- alkaloid profile --- single nucleotide polymorphism --- milk production --- calf growth --- acute ergot exposure --- ergot toxicity --- sheep --- vasoconstriction --- adrenergic receptors --- ergot --- ethnopharmacology --- abortion --- childbirth --- ergovaline --- horse pastures --- pregnant mares --- species composition --- ergot fungi --- gene divergence --- gene diversity --- indole diterpenes --- phylogeny --- Claviceps purpurea --- fungal plant pathogen --- biosynthetic gene cluster --- mycotoxins --- untargeted metabolomics --- mass spectrometry --- blood vessel --- myograph --- serotonin --- ergot alkaloids --- strain improvement --- UV --- EMS --- Penicillium citrinum --- response surface methodology --- PBD --- BBD --- integrative interactomics --- integrome --- metabolomics --- microbiome --- tall fescue --- Epichloë coenophiala --- fescue toxicosis --- ergot alkaloid occurrence --- sclerotia --- cereals --- LC-MS/MS --- correlation --- survey --- beef cattle --- endophyte --- ergot alkaloid --- isoflavone --- metabolites --- genetic tolerance --- cytokines --- cow productivity --- CRISPR/Cas9 --- non-transgenic engineered fungi --- genome editing --- genome sequencing --- MinION --- nanopore --- secondary metabolites --- endophyte transmission --- livestock safety --- insect testing --- quality control --- alkaloid profile --- single nucleotide polymorphism --- milk production --- calf growth --- acute ergot exposure --- ergot toxicity --- sheep --- vasoconstriction --- adrenergic receptors --- ergot --- ethnopharmacology --- abortion --- childbirth --- ergovaline --- horse pastures --- pregnant mares --- species composition --- ergot fungi --- gene divergence --- gene diversity --- indole diterpenes --- phylogeny --- Claviceps purpurea --- fungal plant pathogen --- biosynthetic gene cluster --- mycotoxins --- untargeted metabolomics --- mass spectrometry --- blood vessel --- myograph --- serotonin

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"The Global Impact of Ergot Alkaloids" addresses the very broad topic of ergot alkaloids and the influence that they have on many facets of life. The content in this Special Issue pertains to research studying fungi, plants, livestock, and humans. While the perspectives of each paper may differ, the common aspect is the interest and emphasis on ergot alkaloids. These compounds cross the spectrum from feared toxins to potential pharmaceutical discoveries. The research included spans the globe and has content that will attract the interest of readers from many different backgrounds.

ergot alkaloids --- strain improvement --- UV --- EMS --- Penicillium citrinum --- response surface methodology --- PBD --- BBD --- integrative interactomics --- integrome --- metabolomics --- microbiome --- tall fescue --- Epichloë coenophiala --- fescue toxicosis --- ergot alkaloid occurrence --- sclerotia --- cereals --- LC-MS/MS --- correlation --- survey --- beef cattle --- endophyte --- ergot alkaloid --- isoflavone --- metabolites --- genetic tolerance --- cytokines --- cow productivity --- CRISPR/Cas9 --- non-transgenic engineered fungi --- genome editing --- genome sequencing --- MinION --- nanopore --- secondary metabolites --- endophyte transmission --- livestock safety --- insect testing --- quality control --- alkaloid profile --- single nucleotide polymorphism --- milk production --- calf growth --- acute ergot exposure --- ergot toxicity --- sheep --- vasoconstriction --- adrenergic receptors --- ergot --- ethnopharmacology --- abortion --- childbirth --- ergovaline --- horse pastures --- pregnant mares --- species composition --- ergot fungi --- gene divergence --- gene diversity --- indole diterpenes --- phylogeny --- Claviceps purpurea --- fungal plant pathogen --- biosynthetic gene cluster --- mycotoxins --- untargeted metabolomics --- mass spectrometry --- blood vessel --- myograph --- serotonin --- n/a --- Epichloë coenophiala

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In the field of Analytical Chemistry and, in particular, whenever a quali-quantitative analysis is required, until a few years ago, reference was made exclusively to instrumental methods (more or less hyphenated) which, once validated, were able to provide the answers to the questions present, even if only in a limited way to analytical targets. Nowadays, the landscape has become considerably complicated (natural adulterants, assessment of geographical origin, sophistication, need for non-destructive analysis, search for often unknown compounds), and new procedures for processing data have greatly increased the potential of analyses that are conducted (even routinely) in the laboratory. In this scenario, chemometrics is master, able to manage and process a huge amount of information based both on data relating only to the analytes of interest, but also by applying “general” procedures to process raw untargeted analysis data. It is within this strand of analysis that many of the works reported in this Special Issue fall. In the succession of works in this printed version, the criterion that guided us was to highlight how—starting exclusively from chromatographic techniques (HPLC and GC) with conventional detectors and moving to exclusively spectroscopic techniques (MS, FT-IR and Raman)—it is possible arrive at extremely powerful coupled techniques and procedures (HPLC and FT-IR) able to meet research needs. Finally, at the end of the printed volume, there are two reviews that surveying the state of the art regarding the assessment of authenticity through qualitative analyses and the application of chemometrics in the pharmaceutical field in the study of forced drug degradation products. From the succession of works (and, above all, from the various application fields) it can immediately be seen how the application of chemometrics and its procedures to both raw and processed data is a powerful means of obtaining robust, reproducible, and predictive information. In this manner, it is possible to create models able to explain and respond to the original problem in a much more detailed way. , and Honghe through Fourier transform mid infrared (FT-MIR) spectra combined with partial least squares discriminant analysis (PLS-DA), random forest (RF), and hierarchical cluster analysis (HCA) methods. Melucci and collaborators apply chemometric approaches to non-destructive analysis of ATR-FT-IR for the determination of biosilica content. This value was directly evaluated in sediment samples, without any chemical alteration, using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, and the quantification was performed by combining the multivariate standard addition method (MSAM) with the net analyte signal (NAS) procedure to solve the strong matrix effect of sediment samples. Still in the food and food supplements field, Anguebes-Franseschi and collaborators report an article where 10 chemometric models based on Raman spectroscopy were applied to predict the physicochemical properties of honey produced in the state of Campeche, Mexico.

Medicine --- Paris polyphylla Smith var. yunnanensis --- multivariate analysis --- chemometrics --- Fourier transform infrared --- amino acids --- reversed-phase liquid chromatography --- gradient elution --- retention prediction --- artificial neural network --- Macrohyporia cocos --- data fusion --- liquid chromatography --- fourier transform infrared spectroscopy --- partial least squares discriminant analysis --- authentication --- Gastrodia elata tuber --- quality evaluation --- HPLC --- QAMS --- Ranae Oviductus --- identification --- protein --- RP-HPLC --- fingerprint --- fish and seafood --- food authentication --- fingerprinting --- wild and farmed --- geographical origin --- vibrational spectroscopy --- absorption/fluorescence spectroscopy --- nuclear magnetic resonance --- hyperspectral imaging --- saffron --- adulteration --- food authenticity --- gas-chromatography --- eupatorin --- UHPLC-Q-TOF-MS/MS --- metabolism --- in vivo and in vitro --- rat liver microsomes --- rat intestinal flora --- untargeted metabolomics --- PARAFAC2 --- alignment --- gas chromatography–mass spectrometry (GC–MS) --- prostate carcinoma --- forced degradation --- degradation products --- stress test --- diatoms --- biogenic silica --- ATR-FTIR --- NAS --- quality control --- Raman spectroscopy --- honey --- PLS regression models --- physicochemical parameters --- Paris polyphylla Smith var. yunnanensis --- multivariate analysis --- chemometrics --- Fourier transform infrared --- amino acids --- reversed-phase liquid chromatography --- gradient elution --- retention prediction --- artificial neural network --- Macrohyporia cocos --- data fusion --- liquid chromatography --- fourier transform infrared spectroscopy --- partial least squares discriminant analysis --- authentication --- Gastrodia elata tuber --- quality evaluation --- HPLC --- QAMS --- Ranae Oviductus --- identification --- protein --- RP-HPLC --- fingerprint --- fish and seafood --- food authentication --- fingerprinting --- wild and farmed --- geographical origin --- vibrational spectroscopy --- absorption/fluorescence spectroscopy --- nuclear magnetic resonance --- hyperspectral imaging --- saffron --- adulteration --- food authenticity --- gas-chromatography --- eupatorin --- UHPLC-Q-TOF-MS/MS --- metabolism --- in vivo and in vitro --- rat liver microsomes --- rat intestinal flora --- untargeted metabolomics --- PARAFAC2 --- alignment --- gas chromatography–mass spectrometry (GC–MS) --- prostate carcinoma --- forced degradation --- degradation products --- stress test --- diatoms --- biogenic silica --- ATR-FTIR --- NAS --- quality control --- Raman spectroscopy --- honey --- PLS regression models --- physicochemical parameters

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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

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Oxidative stress causes chronic diseases such as cardiovascular disease, cancer, Alzheimer, chronic obstructive pulmonary, and neurodegenerative pathologies. Antioxidant systems defend human cells from free radicals. They act by stopping free radicals, decreasing their development, and quenching the formed ROS and RNS. The antioxidant molecules are classified into primary and secondary defense molecules. The primary antioxidant molecules (i.e., vitamins C and E, ubiquinone, and glutathione) reduce oxidation effects by moving a proton to the free radical species or electron donors, or by terminating the chain reactions The secondary antioxidants (i.e., N-acetyl cysteine and lipoic acid) act as cofactors for some enzyme systems or neutralize the production of free radicals by transition metals. This work comprises original research papers and reviews on antioxidant molecules in food, the agricultural practices that maximize their levels in plants, the potential preventive effects of selected classes of antioxidant molecules, their potential use in functional foods, and the pharmaceutical delivery systems that maximize their potential activity when used as supplements.

Research & information: general --- Biology, life sciences --- Food & society --- Trichoderma spp. --- EVOO --- olive pomace --- olive vegetation water --- Olea europea var Leccino --- HRMS-Orbitrap --- phenolic identification --- antioxidant activity --- grape seed oil fatty acid --- novel extraction --- tocopherol --- supercritical fluid --- microwave assisted --- ultrasound assisted --- Soxhlet --- olive mill wastewater --- olive oil --- Olive Pâté --- antioxidants --- nutraceutical --- Q Exactive Orbitrap LC-MS/MS --- Clery strawberry --- food processing --- Polyphenols --- multi-methodological evaluation --- HS-GC/MS analysis --- PCA --- antioxidant --- HepG2 cells --- EVOO extract --- IOC methods --- LDLR --- PCSK9 --- tomatoes --- NMR spectroscopy --- FT-ICR mass spectrometry --- ripening stage --- phenolics --- metabolomics --- phytochemicals --- cardoon --- multipurpose plant --- chlorogenic acid --- fatty acids --- herbal treatment --- organic zinc --- lamb --- Haemonchus contortus --- antioxidant enzymes --- lipid peroxidation --- mineral status --- paraxanthine --- caffeine --- CYP1A2 phenotyping --- human saliva --- differential pulse voltammetry --- egg --- flavonoids --- inductively coupled plasma mass spectrometry (ICP-MS) --- metallome --- quercetin --- walnut --- by-products --- antitussive --- ROS --- NOx --- IL-6 --- CXC-R1 --- histopathological analysis --- sustainable agriculture --- onion skin --- traditional varieties --- flavonols --- dietary antioxidants, --- Helichrysum --- medicinal plants --- infusions --- phenolic compounds --- antioxidative potential --- polyphenols --- flavonids --- endogenous antioxidant enzymes --- reduced glutathione --- oxidized glutathione --- catalase --- superoxide dismutase --- interleukin 6 --- tumor necrosis factor --- endurance sports --- Ficus carica --- oxidative stress protection --- stress hormones --- epidermal skin barrier --- nutricosmetics --- brown rice --- fermentation --- germination --- stress --- bioactive compounds --- untargeted metabolomics --- functional food --- health benefits --- lovage --- elicitation --- phenolic acids --- potential anti-inflammatory potential --- anticancer properties --- antioxidative activity --- bioactive peptides --- peptidomics --- mass spectrometry --- soybean --- plant-based foods --- LDL --- CVD --- lipid oxidation --- dietary fiber --- cholesterol --- hyperlipidemia --- microalgae --- spirulina --- inflammation --- lipopolysaccharide --- dairy cows --- fattening bulls --- leukocytes --- spices --- condiments --- extra-virgin olive oil --- antiviral properties --- antioxidant properties --- nutricosmetic --- grape seed --- pomace --- polyunsaturated fatty acids --- polyphenol --- resveratrol --- rutin --- HPLC --- GC --- coumarins --- green synthesis --- DFT --- red algae --- antioxidant and antimicrobial ability --- lipoperoxidation --- salmon --- anticancer --- marigold --- sage --- bearberry --- eucalyptus --- yarrow --- apples --- pomegranate --- mitochondrial DNA --- DNA damage --- apoptosis --- oral cancer --- arbutin --- melanin --- pigment --- melasma --- skin lightening --- cosmetic --- hyperpigmentation --- tyrosinase --- nuclear factor erythroid 2-related factor 2 (Nrf2) --- Brassicaceae --- light wavelength --- reactive oxygen species (ROS) --- oxidative stress --- antioxidant proteins --- Moringa leaf extract --- nanoencapsulation --- rabbit --- physiology --- reproduction --- Trichoderma spp. --- EVOO --- olive pomace --- olive vegetation water --- Olea europea var Leccino --- HRMS-Orbitrap --- phenolic identification --- antioxidant activity --- grape seed oil fatty acid --- novel extraction --- tocopherol --- supercritical fluid --- microwave assisted --- ultrasound assisted --- Soxhlet --- olive mill wastewater --- olive oil --- Olive Pâté --- antioxidants --- nutraceutical --- Q Exactive Orbitrap LC-MS/MS --- Clery strawberry --- food processing --- Polyphenols --- multi-methodological evaluation --- HS-GC/MS analysis --- PCA --- antioxidant --- HepG2 cells --- EVOO extract --- IOC methods --- LDLR --- PCSK9 --- tomatoes --- NMR spectroscopy --- FT-ICR mass spectrometry --- ripening stage --- phenolics --- metabolomics --- phytochemicals --- cardoon --- multipurpose plant --- chlorogenic acid --- fatty acids --- herbal treatment --- organic zinc --- lamb --- Haemonchus contortus --- antioxidant enzymes --- lipid peroxidation --- mineral status --- paraxanthine --- caffeine --- CYP1A2 phenotyping --- human saliva --- differential pulse voltammetry --- egg --- flavonoids --- inductively coupled plasma mass spectrometry (ICP-MS) --- metallome --- quercetin --- walnut --- by-products --- antitussive --- ROS --- NOx --- IL-6 --- CXC-R1 --- histopathological analysis --- sustainable agriculture --- onion skin --- traditional varieties --- flavonols --- dietary antioxidants, --- Helichrysum --- medicinal plants --- infusions --- phenolic compounds --- antioxidative potential --- polyphenols --- flavonids --- endogenous antioxidant enzymes --- reduced glutathione --- oxidized glutathione --- catalase --- superoxide dismutase --- interleukin 6 --- tumor necrosis factor --- endurance sports --- Ficus carica --- oxidative stress protection --- stress hormones --- epidermal skin barrier --- nutricosmetics --- brown rice --- fermentation --- germination --- stress --- bioactive compounds --- untargeted metabolomics --- functional food --- health benefits --- lovage --- elicitation --- phenolic acids --- potential anti-inflammatory potential --- anticancer properties --- antioxidative activity --- bioactive peptides --- peptidomics --- mass spectrometry --- soybean --- plant-based foods --- LDL --- CVD --- lipid oxidation --- dietary fiber --- cholesterol --- hyperlipidemia --- microalgae --- spirulina --- inflammation --- lipopolysaccharide --- dairy cows --- fattening bulls --- leukocytes --- spices --- condiments --- extra-virgin olive oil --- antiviral properties --- antioxidant properties --- nutricosmetic --- grape seed --- pomace --- polyunsaturated fatty acids --- polyphenol --- resveratrol --- rutin --- HPLC --- GC --- coumarins --- green synthesis --- DFT --- red algae --- antioxidant and antimicrobial ability --- lipoperoxidation --- salmon --- anticancer --- marigold --- sage --- bearberry --- eucalyptus --- yarrow --- apples --- pomegranate --- mitochondrial DNA --- DNA damage --- apoptosis --- oral cancer --- arbutin --- melanin --- pigment --- melasma --- skin lightening --- cosmetic --- hyperpigmentation --- tyrosinase --- nuclear factor erythroid 2-related factor 2 (Nrf2) --- Brassicaceae --- light wavelength --- reactive oxygen species (ROS) --- oxidative stress --- antioxidant proteins --- Moringa leaf extract --- nanoencapsulation --- rabbit --- physiology --- reproduction