Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation
Nothias, Louis-Felix Nothias-Esposito, Melissa da Silva, Ricardo Wang, Mingxun Protsyuk, Ivan Zhang, Zheng Sarvepalli, Abi Leyssen, Pieter Touboul, David Costa, Jean Paolini, Julien Alexandrov, Theodore Litaudon, Marc Dorrestein, Pieter C.
Ricardo da Silva
da Silva Ricardo
ORCID: 0000-0001-6378-0479
Computational Removal of Undesired Mass Spectral Features Possessing Repeat Units via a Kendrick Mass Filter 10.1007/s13361-018-2069-9
Neutrophilic proteolysis in the cystic fibrosis lung correlates with a pathogenic microbiome 10.1186/s40168-019-0636-3
A comparative venomic fingerprinting approach reveals that galling and non-galling fig wasp species have different venom profiles 10.1371/journal.pone.0207051
American Gut: an Open Platform for Citizen Science Microbiome Research 10.1128/mSystems.00031-18
Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation 10.1021/acs.jnatprod.7b00737
Chemical profiling of two congeneric sea mat corals along the Brazilian coast: adaptive and functional patterns 10.1039/c7cc08411k
Niche partitioning of a pathogenic microbiome driven by chemical gradients 10.1126/sciadv.aau1908
Propagating annotations of molecular networks using in silico fragmentation 10.1371/journal.pcbi.1006089
Targeted Isolation of Neuroprotective Dicoumaroyl Neolignans and Lignans from Sageretia theezans Using in Silico Molecular Network Annotation Propagation-Based Dereplication 10.1021/acs.jnatprod.8b00292
Coupling Targeted and Untargeted Mass Spectrometry for Metabolome-Microbiome-Wide Association Studies of Human Fecal Samples 10.1021/acs.analchem.7b01381
Global chemical analysis of biology by mass spectrometry 10.1038/s41570-017-0054
High-Resolution Liquid Chromatography Tandem Mass Spectrometry Enables Large Scale Molecular Characterization of Dissolved Organic Matter 10.3389/fmars.2017.00405
Prioritizing Natural Product Diversity in a Collection of 146 Bacterial Strains Based on Growth and Extraction Protocols 10.1021/acsjnatprod.6b00722
Three-Dimensional Microbiome and Metabolome Cartography of a Diseased Human Lung 10.1016/j.chom.2017.10.001
Application of MALDI Mass Spectrometry in Natural Products Analysis 10.1055/s-0042-104800
From Sample to Multi-Omics Conclusions in under 48 Hours 10.1128/mSystems.00038-16
Lifestyle chemistries from phones for individual profiling 10.1073/pnas.1610019113
A metabolomic protocol for plant systematics by matrix-assisted laser-desorption/ionization time-of flight mass spectrometry 10.1016/j.aca.2015.01.002
Illuminating the dark matter in metabolomics 10.1073/pnas.1516878112
Mass spectrometry in plant metabolomics strategies: from analytical platforms to data acquisition and processing 10.1039/c3np70086k
ProbMetab: an R package for Bayesian probabilistic annotation of LC-MS-based metabolomics 10.1093/bioinformatics/btu019
Queen signals in a stingless bee: suppression of worker ovary activation and spatial distribution of active compounds 10.1038/srep07449
Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae 10.1111/tpj.14292
Molecular and Microbial Microenvironments in Chronically Diseased Lungs Associated with Cystic Fibrosis 10.1128/MSYSTEMS.00375-19
Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages 10.1016/J.FOODCHEM.2019.125290
In silico annotation of discriminative markers of three Zanthoxylum species using molecular network derived annotation propagation 10.1016/J.FOODCHEM.2019.05.099
Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation 10.1021/ACS.JNATPROD.8B00916
The impact of skin care products on skin chemistry and microbiome dynamics 10.1186/S12915-019-0660-6
Assessing Specialized Metabolite Diversity in the Cosmopolitan Plant Genus Euphorbia L 10.3389/FPLS.2019.00846
Initial Development toward Non-Invasive Drug Monitoring via Untargeted Mass Spectrometric Analysis of Human Skin 10.1021/ACS.ANALCHEM.8B05854
Mass spectrometry searches using MASST 10.1038/s41587-019-0375-9
Differences in Cystic Fibrosis-Associated Burkholderia spp. Bacteria Metabolomes after Exposure to the Antibiotic Trimethoprim 10.1021/acsinfecdis.9b00513
Global chemical effects of the microbiome include new bile-acid conjugations 10.1038/s41586-020-2047-9
Assessing specialized metabolite diversity of Alnus species by a digitized LC–MS/MS data analysis workflow 10.1016/j.phytochem.2020.112292
Feature-based molecular networking in the GNPS analysis environment 10.1038/s41592-020-0933-6
Time-Scale Shifting of Volatile Semiochemical Levels in Wild Type Lychnophora ericoides (Brazilian arnica) and Pollinator Records 10.1055/a-1320-4556
Distinct photo-oxidation-induced cell death pathways lead to selective killing of human breast cancer cells 10.1038/s41419-020-03275-2
A Multi-Omics Characterization of the Natural Product Potential of Tropical Filamentous Marine Cyanobacteria 10.3390/md19010020
Convergent evolution of pain-inducing defensive venom components in spitting cobras 10.1126/science.abb9303
Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden 10.1128/msystems.00601-21
CHAPTER 10. Perspectives for the Future 10.1039/9781788010399-00264
CHAPTER 3. Metabolomics 10.1039/9781788010399-00057
Mass Spectrometry in Chemical Biology 10.1039/9781788010399
Louis-Felix NOTHIAS
NOTHIAS Louis-Felix
ORCID: 0000-0001-6711-6719
Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. 10.1021/np500271u
Antiviral Activity of Diterpene Esters on Chikungunya Virus and HIV Replication 10.1021/acs.jnatprod.5b00073
LC-MS2-Based dereplication of Euphorbia extracts with anti-Chikungunya virus activity 10.1016/j.fitote.2015.06.021
Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation 10.1021/acs.jnatprod.7b00737
Propagating annotations of molecular networks using in silico fragmentation 10.1371/journal.pcbi.1006089
Did a plant-herbivore arms race drive chemical diversity in Euphorbia? 10.1101/323014
Niche partitioning of a pathogenic microbiome driven by chemical gradients 10.1126/sciadv.aau1908
Viscosin-like lipopeptides from frog skin bacteria inhibit Aspergillus fumigatus and Batrachochytrium dendrobatidis detected by imaging mass spectrometry and molecular networking 10.1038/s41598-019-39583-7
MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools 10.1101/654459
MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools 10.3390/metabo9070144
Feature-based Molecular Networking in the GNPS Analysis Environment 10.1101/812404
ZODIAC: database-independent molecular formula annotation using Gibbs sampling reveals unknown small molecules 10.1101/842740
Classes for the masses: Systematic classification of unknowns using fragmentation spectra 10.1101/2020.04.17.046672
Ion Identity Molecular Networking in the GNPS Environment 10.1101/2020.05.11.088948
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00234-6
Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC 10.1038/s42256-020-00259-x
Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data 10.1038/s41587-020-0700-3
Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale 10.1021/jasms.0c00240
The ant fungus garden acts as an external digestive system 10.1101/2020.11.18.389361
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra 10.1038/s41587-020-0740-8
Reply to: Examining microbe–metabolite correlations by linear methods 10.1038/s41592-020-01007-0
Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden 10.1128/mSystems.00601-21
David Touboul
Touboul David
ORCID: 0000-0003-2751-774X
Chiral calcium-binol phosphate catalyzed diastereo- And enantioselective synthesis of syn-1,2-disubstituted 1,2-diamines: Scope and mechanistic studies 10.1002/chem.201405286
Neuroprotective effects of a brain permeant 6-aminoquinoxaline derivative in cell culture conditions that model the loss of dopaminergic neurons in Parkinson disease 10.1016/j.ejmech.2014.10.067
TOF-SIMS imaging of lipids on rat brain sections 10.1007/978-1-4939-1357-2_3
MALDI mass spectrometry imaging of lipids and primary metabolites on rat brain sections 10.1007/978-1-4939-1357-2_5
Synthesis and spectral studies of biologically active organophosphorus derivatives of substituted 4-(2-hydroxyphenylamino)-2H-chromen-2-one 10.1007/s00044-014-1291-7
Nitrogen incorporation in titan's tholins inferred by high resolution orbitrap mass spectrometry and gas chromatography-mass spectrometry 10.1016/j.epsl.2014.07.011
Letter: Determination of ionization energies of a monoterpene series by atmospheric pressure photoionization using tunable vacuum ultraviolet synchrotron radiation 10.1255/ejms.1291
Exploring the peptide fragmentation mechanisms under atmospheric pressure photoionization using tunable VUV synchrotron radiation 10.1016/j.ijms.2014.12.011
Evaluation of synthase and hemisynthase activities of glucosamine-6- phosphate synthase by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry 10.1016/j.ab.2014.04.033
Impact of inhaled nitric oxide on the sulfatide profile of neonatal rat brain studied by TOF-SIMS imaging 10.3390/ijms15045233
Lipidomics of Alzheimer's disease 10.4155/bio.13.346
A regioselective 1,3-dipolar cycloaddition for the synthesis of novel spiro-chromene thiadiazole derivatives 10.1016/j.crci.2013.08.004
MALDI mass spectrometry imaging of 1-Methyl-4-phenylpyridinium (MPP +) in Mouse Brain 10.1007/s12640-013-9449-5
Optimization and validation of a label-free MRM method for the quantification of cytochrome P450 isoforms in biological samples 10.1007/s00216-014-7928-z
Oligonucleotide analogues with integrated bases and backbone (ONIB). Part 31: Aminomethylene-linked CG and GC dinucleosides of the ONIB Type: Formation of duplexes and quadruplexes 10.1002/hlca.201400156
Identification of the environmental neurotoxins annonaceous acetogenins in an Annona cherimolia Mill. Alcoholic beverage using HPLC-ESI-LTQ-Orbitrap 10.1021/jf501174j
Low doses of arginine butyrate derivatives improve dystrophic phenotype and restore membrane integrity in DMD models 10.1096/fj.13-244798
Ultra performance liquid chromatography - Mass spectrometry studies of formalin-induced alterations of human brain lipidome 10.1002/jms.3424
Localisation and quantification of benzalkonium chloride in eye tissue by TOF-SIMS imaging and liquid chromatography mass spectrometry 10.1007/s00216-013-6811-7
Isolation and structure elucidation of acetylcholinesterase lipophilic lupeol derivatives inhibitors from the latex of the Tunisian Periploca laevigata 10.1016/j.arabjc.2013.10.026
Regiospecific synthesis, antibacterial and anticoagulant activities of novel isoxazoline chromene derivatives 10.1016/j.arabjc.2013.10.008
Quantification of retinoid compounds by supercritical fluid chromatography coupled to ultraviolet diode array detection 10.1007/s10337-013-2508-5
Argon cluster ion source evaluation on lipid standards and rat brain tissue samples 10.1021/ac4009513
Lipidomic and Spatio-Temporal Imaging of Fat by Mass Spectrometry in Mice Duodenum during Lipid Digestion 10.1371/journal.pone.0058224
VUV photoionization of gas phase adenine and cytosine: A comparison between oven and aerosol vaporization 10.1063/1.4793734
Synthesis of novel fused coumarine and naphtho[2,1-b]pyrano[3,2-e][1,2,4] triazolo[1,5-c]pyrimidine derivatives 10.2174/1570178611310030007
Study of experimental variability in TOF-SIMS mass spectrometry imaging of biological samples 10.1016/j.ijms.2012.12.010
Erratum: A new safety concern for glaucoma treatment demonstrated by mass spectrometry imaging of benzalkonium chloride distribution in the eye, an experimental study in rabbits (PLoS ONE (2013) 8:1 DOI: 10.1371/annotation/ b97d3c0d-b49e-40e3-a6b4-5155bd9bf3c9) 10.1371/annotation/b97d3c0d-b49e-40e3-a6b4-5155bd9bf3c9
Time-of-flight secondary ion mass spectrometry (TOF-SIMS) imaging reveals cholesterol overload in the cerebral cortex of Alzheimer disease patients 10.1007/s00401-012-1041-1
Compatibility between TOF-SIMS lipid imaging and histological staining on a rat brain section 10.1002/sia.4846
Cluster Tof-Sims imaging as a tool for micrometric histology of lipids in tissue 10.1002/mas.21399
A New Safety Concern for Glaucoma Treatment Demonstrated by Mass Spectrometry Imaging of Benzalkonium Chloride Distribution in the Eye, an Experimental Study in Rabbits 10.1371/journal.pone.0050180
Comprehensive characterization of Annonaceous acetogenins within a complex extract by HPLC-ESI-LTQ-Orbitrap® using post-column lithium infusion 10.1002/jms.3092
Choline-containing phospholipids in microdissected human Alzheimers disease brain senile plaque versus neuropil 10.4155/bio.12.189
Conference report: 60th American society for MS conference on MS and allied topics 10.4155/bio.12.196
Comparison of electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization for a lipidomic analysis of Leishmania donovani 10.1016/j.chroma.2012.04.035
Atmospheric pressure photoionization mass spectrometry of guanine using tunable synchrotron VUV radiation 10.1016/j.ijms.2012.05.009
Atmospheric pressure photoionization as a powerful tool for large-scale lipidomic studies 10.1007/s13361-012-0341-y
MALDI imaging and structural analysis of rat brain lipid negative ions with 9-aminoacridine matrix 10.1021/ac2025317
Micrometric molecular histology of lipids by mass spectrometry imaging 10.1016/j.cbpa.2011.04.017
Time-of-flight secondary ion mass spectrometer: A novel tool for lipid imaging 10.2217/clp.11.31
MALDI imaging mass spectrometry of lipids by adding lithium salts to the matrix solution 10.1007/s00216-011-4814-9
UPLC-ESI-MS analysis of thymosins β4 and β10 in cell lysates: A simple, rapid and sensitive quantification method 10.1039/c0ay00576b
Mass spectrometry imaging: Towards a lipid microscope? 10.1016/j.biochi.2010.05.013
Structural study of acetogenins by tandem mass spectrometry under high and low collision energy 10.1002/rcm.4805
Animal urine as painting materials in African rock art revealed by cluster ToF-SIMS mass spectrometry imaging 10.1002/jms.1789
Mass spectrometry imaging of rat brain sections: Nanomolar sensitivity with MALDI versus nanometer resolution by TOF-SIMS 10.1007/s00216-009-3031-2
In situ primary metabolites localization on a rat brain section by chemical mass spectrometry imaging 10.1021/ac9005364
Chemical cross-linking with NHS esters: A systematic study on amino acid reactivities 10.1002/jms.1544
How to Deal with Weak Interactions in Noncovalent Complexes Analyzed by Electrospray Mass Spectrometry: Cyclopeptidic Inhibitors of the Nuclear Receptor Coactivator 1-STAT6 10.1016/j.jasms.2008.10.008
A simple model for exploring conformation of highly-charged electrosprayed single-stranded oligonucleotides 10.1039/b816801f
Affinity classification of kinase inhibitors by mass spectrometric methods and validation using standard IC50 measurements 10.1021/ac801782c
Gas-phase protonation thermochemistry of adenosine 10.1021/jp804786e
Atmospheric pressure glow discharge desorption mass spectrometry for rapid screening of pesticides in food 10.1002/rcm.3677
The patinas of the Dogon-Tellem statuary: A new vision through physico-chemical analyses 10.1016/j.culher.2007.11.003
Exploring deprotonation reactions on peptides and proteins at atmospheric pressure by electro-sonic spray ionization-mass spectrometry (ESSI-MS) 10.2533/chimia.2008.282
Binding constant determination of high-affinity protein-ligand complexes by electrospray ionization mass spectrometry and ligand competition 10.1002/jms.1355
Investigation of Deprotonation Reactions on Globular and Denatured Proteins at Atmospheric Pressure by ESSI-MS 10.1016/j.jasms.2007.12.011
Ion internal energy distributions validate the charge residue model for small molecule ion formation by spray methods 10.1002/rcm.3469
Pores formation on cell membranes by hederacolchiside a1 leads to a rapid release of proteins for cytosolic subproteome analysis 10.1021/pr7006973
Which Electrospray-Based Ionization Method Best Reflects Protein-Ligand Interactions Found in Solution? A Comparison of ESI, nanoESI, and ESSI for the Determination of Dissociation Constants with Mass Spectrometry 10.1016/j.jasms.2007.11.007
Identification of ritual blood in African artifacts using TOF-SIMS and synchrotron radiation microspectroscopies 10.1021/ac070993k
Manipulation of charge states of biopolymer ions by atmospheric pressure ion/molecule reactions implemented in an extractive electrospray ionization source 10.1255/ejms.879
Characterization of alpha-parvalbumin on muscle tissue sections by in situ calcium attachment 10.1002/rcm.3246
Rapid and precise measurements of gas-phase basicity of peptides and proteins at atmospheric pressure by electrosonic spray ionization-mass spectrometry 10.1021/jp075127q
MALDI-TOF and cluster-TOF-SIMS imaging of Fabry disease biomarkers 10.1016/j.ijms.2006.09.027
Lipid cartography of atherosclerotic plaque by cluster-TOF-SIMS imaging 10.1039/b614619h
Liquid chromatography on porous graphitic carbon with atmospheric pressure photoionization mass spectrometry and tandem mass spectrometry for the analysis of glycosphingolipids 10.1016/j.chroma.2006.03.083
Chemical imaging techniques for the analysis of complex mixtures: New application to the characterization of ritual matters on African wooden statuettes 10.1016/j.aca.2006.03.111
Structural analysis of secondary ions by post-source decay in time-of-flight secondary ion mass spectrometry 10.1002/rcm.2362
Atmospheric pressure photoionization coupled to porous graphitic carbon liquid chromatography for the analysis of globotriaosylceramides. Application to Fabry disease 10.1002/jms.945
Lipid imaging by gold cluster time-of-flight secondary ion mass spectrometry: Application to Duchenne muscular dystrophy 10.1194/jlr.M500058-JLR200
Structural characterization of phosphatidylcholines by atmospheric pressure photoionization mass spectrometry 10.1255/ejms.760
Improvement of biological time-of-flight-secondary ion mass spectrometry imaging with a bismuth cluster ion source 10.1016/j.jasms.2005.06.005
Biological tissue imaging with time-of-flight secondary ion mass spectrometry and cluster ion sources 10.1002/jms.902
Fast fingerprinting by MALDI-TOF mass spectrometry of urinary sediment glycosphingolipids in Fabry disease 10.1007/s00216-005-3239-8
Changes in phospholipid composition within the dystrophic muscle by matrix-assisted laser desorption/ionization mass spectrometry and mass spectrometry imaging 10.1255/ejms.671
Tissue Molecular Ion Imaging by Gold Cluster Ion Bombardment 10.1021/ac035243z
Semi-synthesis of new antimicrobial esters from the natural oleanolic and maslinic acids 10.1016/j.foodchem.2015.03.018
Lipidomics by supercritical fluid chromatography 10.3390/ijms160613868
Mapping Dicorynia guianensis Amsh. wood constituents by submicron resolution cluster-TOF-SIMS imaging 10.1002/jms.3762
Regiospecific synthesis, anti-inflammatory and anticancer evaluation of novel 3,5-disubstituted isoxazoles from the natural maslinic and oleanolic acids 10.1016/j.indcrop.2016.03.024
Regiospecific synthesis by copper- and ruthenium-catalyzed azide-alkyne 1,3-dipolar cycloaddition, anticancer and anti-inflammatory activities of oleanolic acid triazole derivatives 10.1016/j.arabjc.2015.12.013
High mass and spatial resolution mass spectrometry imaging of Nicolas Poussin painting cross section by cluster TOF-SIMS 10.1002/jms.3885
Synthesis and antimicrobial activity of novel coumarin derivatives from 4-methylumbelliferone 10.1007/s00044-015-1368-y
Biomedical studies by TOF-SIMS imaging 10.1116/1.4901511
Time-of-flight secondary ion mass spectrometry imaging of biological samples with delayed extraction for high mass and high spatial resolutions 10.1002/rcm.7210
Quantification of tocopherols and tocotrienols in soybean oil by supercritical-fluid chromatography coupled to high-resolution mass spectrometry 10.1007/s00216-015-8604-7
What more can TOF-SIMS bring than other MS imaging methods? 10.4155/bio.16.11
Quantification of the environmental neurotoxin annonacin in Rat brain by UPLC-MS/MS 10.1016/j.toxicon.2016.03.015
Laser-Assisted Mass Spectrometry 10.1002/9783527654703.ch13
Design, synthesis of novel pyranotriazolopyrimidines and evaluation of their anti-soybean lipoxygenase, anti-xanthine oxidase, and cytotoxic activities 10.3109/14756366.2015.1118684
Insights on profiling of phorbol, deoxyphorbol, ingenol and jatrophane diterpene esters by high performance liquid chromatography coupled to multiple stage mass spectrometry 10.1016/j.chroma.2015.09.092
Method development for quantification of the environmental neurotoxin annonacin in Rat plasma by UPLC-MS/MS and application to a pharmacokinetic study 10.1016/j.jchromb.2015.09.039
Oligonucleotide analogues with integrated bases and backbone. part 32: Thiomethylene- and aminomethylene-linked GG dinucleosides of the ONIB type: Formation of quadruplexes 10.1002/hlca.201400175
Development of HPLC-Orbitrap method for identification of N-bearing molecules in complex organic material relevant to planetary environments 10.1016/j.icarus.2016.03.007
Validation data for the quantification of the Annonaceous acetogenin annonacin in Rat brain by UPLC-MS/MS 10.1016/j.dib.2016.04.067
Structural Characterisation of Acetogenins from Annona muricata by Supercritical Fluid Chromatography Coupled to High-Resolution Tandem Mass Spectrometry 10.1002/pca.2700
Isolation of Premyrsinane, Myrsinane, and Tigliane Diterpenoids from Euphorbia pithyusa Using a Chikungunya Virus Cell-Based Assay and Analogue Annotation by Molecular Networking 10.1021/acs.jnatprod.7b00233
MZmine 2 Data-Preprocessing To Enhance Molecular Networking Reliability 10.1021/acs.analchem.7b01563
Dual Beam Depth Profiling and Imaging with Argon and Bismuth Clusters of Prenylated Stilbenes on Glandular Trichomes of Macaranga vedeliana 10.1021/acs.analchem.7b02020
Validated Method for Strigolactone Quantification by Ultra High-Performance Liquid Chromatography - Electrospray Ionisation Tandem Mass Spectrometry Using Novel Deuterium Labelled Standards 10.1002/pca.2714
Bioactive Natural Products Prioritization Using Massive Multi-informational Molecular Networks 10.1021/acschembio.7b00413
Environmentally Friendly Procedure Based on Supercritical Fluid Chromatography and Tandem Mass Spectrometry Molecular Networking for the Discovery of Potent Antiviral Compounds from Euphorbia semiperfoliata 10.1021/acs.jnatprod.7b00113
An Integrative Approach to Decipher the Chemical Antagonism between the Competing Endophytes Paraconiothyrium variabile and Bacillus subtilis 10.1021/acs.jnatprod.6b01185
Insights into the MALDI Process after Matrix Deposition by Sublimation Using 3D ToF-SIMS Imaging 10.1021/acs.analchem.7b03993
Structurally Diverse Diterpenoids from Sandwithia guyanensis 10.1021/acs.jnatprod.7b01025
Bioactivity-Based Molecular Networking for the Discovery of Drug Leads in Natural Product Bioassay-Guided Fractionation 10.1021/acs.jnatprod.7b00737
Fingerprints of flower absolutes using supercritical fluid chromatography hyphenated with high resolution mass spectrometry 10.1016/j.jchromb.2018.05.016
Tandem Mass Spectrometry Imaging and in Situ Characterization of Bioactive Wood Metabolites in Amazonian Tree Species Sextonia rubra 10.1021/acs.analchem.8b01157
Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines 10.1039/C8QO00429C
Internal Energy Distribution of Secondary Ions Under Argon and Bismuth Cluster Bombardments: “Soft” Versus “Hard” Desorption–Ionization Process 10.1007/s13361-018-2090-z
MetGem Software for the Generation of Molecular Networks Based on the t-SNE Algorithm 10.1021/acs.analchem.8b03099
Is methanol a dopant under atmospheric pressure photoionization conditions? 10.1177/1469066718823991
Antiviral Compounds from Codiaeum peltatum Targeted by a Multi-informative Molecular Networks Approach 10.1021/acs.jnatprod.8b00800
Structural Identification of Antibacterial Lipids from Amazonian Palm Tree Endophytes through the Molecular Network Approach 10.3390/ijms20082006
Innovative omics-based approaches for prioritisation and targeted isolation of natural products – new strategies for drug discovery 10.1039/C9NP00004F
Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation 10.1021/acs.jnatprod.8b00916
Lipidomics Conquers a Niche, Consolidates Growth 10.3390/ijms20133188
Confinement and Time Immemorial: Prebiotic Synthesis of Nucleotides on a Porous Mineral Nanoreactor 10.1021/acs.jpclett.9b01448
Generation of a Molecular Network from Electron Ionization Mass Spectrometry Data by Combining MZmine2 and MetGem Software 10.1021/acs.analchem.9b02802
Supercritical fluid chromatography coupled to mass spectrometry for lipidomics 10.1002/jms.4445
Identification of Antimicrobial Compounds from Sandwithia guyanensis-Associated Endophyte Using Molecular Network Approach 10.3390/plants9010047
Annotation and quantification of N-acyl homoserine lactones implied in bacterial quorum sensing by supercritical-fluid chromatography coupled with high-resolution mass spectrometry 10.1007/s00216-019-02265-4
Impact of the gut microbiota on the m6A epitranscriptome of mouse cecum and liver 10.1038/s41467-020-15126-x
Atmospheric pressure photoionization versus electrospray for the dereplication of highly conjugated natural products using molecular networks 10.1016/j.chroma.2020.461533
Narrow Aperture Detection Electrodes ICR Cell with Quadrupolar Ion Detection for FT-ICR MS at the Cyclotron Frequency 10.1021/jasms.0c00221
Isolation of Picrotoxanes from Austrobuxus carunculatus Using Taxonomy-Based Molecular Networking 10.1021/acs.jnatprod.0c00636
Shotgun lipidomics and mass spectrometry imaging unveil diversity and dynamics in lipid composition in Gammarus fossarum 10.1101/2020.12.01.368563
Does the Phytochemical Diversity of Wild Plants Like the Erythrophleum genus Correlate with Geographical Origin? 10.3390/molecules26061668
A rapid and sensitive method for characterization and quantification of polyglycerol esters by supercritical fluid chromatography coupled to high-resolution mass spectrometry (SFC-HRMS) 10.1016/j.talanta.2021.122316
Dereplication, Annotation, and Characterization of 74 Potential Antimicrobial Metabolites from Penicillium Sclerotiorum Using t-SNE Molecular Networks 10.3390/metabo11070444
Combining Chemical Knowledge and Quantum Calculation for Interpreting Low-Energy Product Ion Spectra of Metabolite Adduct Ions: Sodiated Diterpene Diester Species as a Case Study 10.1021/jasms.1c00154
Identification of Antagonistic Compounds between the Palm Tree Xylariale Endophytic Fungi and the Phytopathogen Fusarium oxysporum 10.1021/acs.jafc.1c03141