Accelerating metabolite identification in natural product research: toward an ideal combination of LC-HRMS/MS and NMR profiling, in silico databases and chemometrics
Jean-Luc Wolfender
Jean-Marc Nuzillard
Justin J. J. van der Hooft
Jean-Hugues Renault
Samuel Bertrand
Analytical Chemistry, 2018-11-19
Samuel BERTRAND
BERTRAND Samuel
ORCID: 0000-0002-5934-7012
Email: samuel.bertrand@univ-nantes.fr
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Jean-Luc Wolfender
Wolfender Jean-Luc
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Sample Preparation Issues in NMR-based Plant Metabolomics: Optimisation for Vitis Wood Samples
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Study of Leaf Metabolome Modifications Induced by UV-C Radiations in Representative Vitis, Cissus and Cannabis Species by LC-MS Based Metabolomics and Antioxidant Assays
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The rise of operon-like gene clusters in plants
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Zebrafish Bioassay-Guided Microfractionation Identifies Anticonvulsant Steroid Glycosides from the Philippine Medicinal Plant Solanum torvum
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Anti-inflammatory, antimicrobial and antioxidant activities of Diospyros bipindensis (Gurke) extracts and its main constituents
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Cancer chemopreventive diterpenes from Salvia corrugata
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De Novo Production of Metabolites by Fungal Co-culture of Trichophyton rubrum and Bionectria ochroleuca
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Detection of metabolite induction in fungal co-cultures on solid media by high-throughput differential ultra-high pressure liquid chromatography-time-of-flight mass spectrometry fingerprinting
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Extensive phytochemical investigation of the polar constituents of Diospyros bipindensis Giirke traditionally used by Baka pygmies
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Integration of Microfractionation, qNMR and Zebrafish Screening for the In Vivo Bioassay-Guided Isolation and Quantitative Bioactivity Analysis of Natural Products
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Occurrence of the Synthetic Analgesic Tramadol in an African Medicinal Plant
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Peltogynoids and 2-Phenoxychromones from Peltophorum pterocarpum and Evaluation of Their Estrogenic Activity
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Vitis vinifera Canes, a New Source of Antifungal Compounds against Plasmopara viticola, Erysiphe necator, and Botrytis cinerea
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Acylated pregnane glycosides from Caralluma sinaica
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High resolution ultra high pressure liquid chromatography-time-of-flight mass spectrometry dereplication strategy for the metabolite profiling of Brazilian Lippia species
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Identification of Infectious Agents in Onychomycoses by PCR-Terminal Restriction Fragment Length Polymorphism
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New Approaches for Studying the Chemical Diversity of Natural Resources and the Bioactivity of their Constituents
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Peak capacity optimisation for high resolution peptide profiling in complex mixtures by liquid chromatography coupled to time-of-flight mass spectrometry: Application to the Conus consors cone snail venom
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Polyketide Skeletons from the Marine Alga-Derived Fungus Coniothyrium cereale
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Preussianone, a New Flavanone-Chromone Biflavonoid from Garcinia preussii Engl
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High-Throughput Phospholipidic Fingerprinting by Online Desorption of Dried Spots and Quadrupole-Linear Ion Trap Mass Spectrometry: Evaluation of Atherosclerosis Biomarkers in Mouse Plasma
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Mass Spectrometry-based Metabolomics Oriented by Correlation Analysis for Wound-induced Molecule Discovery: Identification of a Novel Jasmonate Glucoside
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Standard machine learning algorithms applied to UPLC-TOF/MS metabolic fingerprinting for the discovery of wound biomarkers in Arabidopsis thaliana
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Differential Analysis of Mycoalexins in Confrontation Zones of Grapevine Fungal Pathogens by Ultrahigh Pressure Liquid Chromatography/Time-of-Flight Mass Spectrometry and Capillary Nuclear Magnetic Resonance
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HPLC in Natural Product Analysis: The Detection Issue
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Metabolite profiling of plant extracts by ultra-high-pressure liquid chromatography at elevated temperature coupled to time-of-flight mass spectrometry
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Modern Approaches in the Search for New Lead Antiparasitic Compounds from Higher Plants
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Some solutions to obtain very efficient separations in isocratic and gradient modes using small particles size and ultra-high pressure
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Velocity Estimates for Signal Propagation Leading to Systemic Jasmonic Acid Accumulation in Wounded Arabidopsis
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High-resolution profiling of oxylipin-containing galactolipids in Arabidopsis extracts by ultra-performance liquid chromatography/time-of-flight mass spectrometry
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Optimized liquid chromatography-mass spectrometry approach for the isolation of minor stress biomarkers in plant extracts and their identification by capillary nuclear magnetic resonance
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Screening for wound-induced oxylipins in Arabidopsis thaliana by differential HPLC-APCI/MS profiling of crude leaf extracts and subsequent characterisation by capillary-scale NMR
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Spatial and temporal dynamics of jasmonate synthesis and accumulation in Arabidopsis in response to wounding
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UPLC-TOF-MS for plant metabolomics: A sequential approach for wound marker analysis in Arabidopsis thaliana
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Development of a two-step screening ESI-TOF-MS method for rapid determination of significant stress-induced metabolome modifications in plant leaf extracts: The wound response in Arabidopsis thaliana as a case study
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Identification of natural products using HPLC-SPE combined with CapNMR
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Multivariate data analysis of rapid LC-TOF/MS experiments from Arabidopsis thaliana stressed by wounding
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On-line identification of unstable iridoids from Jamesbrittenia fodina by HPLC-MS and HPLC-NMR
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Phytochemistry in the microgram domain - a LC-NMR perspective
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HPLC-UV/PAD and HPLC-MSn analyses of leaf and root extracts of Vismia guineensis and isolation and identification of two new bianthrones
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Rapid analysis of nucleotide-activated sugars by high-performance liquid chromatography coupled with diode-array detection, electrospray ionization mass spectrometry and nuclear magnetic resonance
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Determination of the absolute configuration of 6-alkylated alpha-pyrones from Ravensara crassifolia by LC-NMR
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On-line identification of tropane alkaloids from Erythroxylum vacciniifolium by liquid chromatography-UV detection-multiple mass spectrometry and liquid chromatography-nuclear magnetic resonance spectrometry
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On-line identification of unstable catalpol derivatives from Jamesbrittenia fodina by LC-MS and LC-NMR
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Structural investigations of isomeric oxidised forms of hyperforin by HPLC-NMR and HPLG-MSn
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Liquid chromatography-atmospheric pressure chemical ionisation/mass spectrometry: A rapid and selective method for the quantitative determination of ginkgolides and bilobalide in Ginkgo leaf extracts and phytopharmaceuticals
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On-line identification of the antifungal constituents of Erythrina vogelii by liquid chromatography with tandem mass spectrometry, ultraviolet absorbance detection and nuclear magnetic resonance spectrometry combined with liquid chromatographic micro-fractionation
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Evaluation of quadrupole time-of-flight tandem mass spectrometry and ion-trap multiple-stage mass spectrometry for the differentiation of C-glycosidic flavonoid isomers
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Modern screening techniques for plant extracts
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Natural and synthetic xanthones as monoamine oxidase inhibitors: Biological assay and 3D-QSAR
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The potential of LC-NMR in phytochemical analysis
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A liquid chromatography-thermospray ionisation-mass spectrometry guided isolation of a new sesquiterpene aryl ester from Armillaria novae-zelandiae
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Application of high performance liquid chromatography coupled with ultraviolet spectroscopy and electrospray mass spectrometry to the characterisation of ellagitannins from Terminalia macroptera roots
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Determination of trace amounts of ginkgolic acids in Ginkgo biloba L. leaf extracts and phytopharmaceuticals by liquid chromatography-electrospray mass spectrometry
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Evaluation of Q-TOF-MS/MS and multiple stage IT-MSn for the dereplication of flavonoids and related compounds in crude plant extracts
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Determination of pyrrolizidine alkaloids in Senecio species by liquid chromatography/thermospray-mass spectrometry and liquid chromatography/nuclear magnetic resonance spectroscopy
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Electrospray liquid chromatography mass spectrometry of the leaf extract of Rhamnus prinoides
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Identification of tyrosine sulfation in Conus pennaceus conotoxins alpha-PnIA and alpha-PnIB: Further investigation of labile sulfo- and phosphopeptides by electrospray, matrix-assisted laser desorption/ionization (MALDI) and atmospheric pressure MALDI mass spectrometry
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LC/ES-MS analysis of triterpene glycosides: Rapid estimation of the saponin content of dried berries of Phytolacca dodecandra
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Mono- and sesquiterpenes and antifungal constituents from Artemisia species
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Xanthine oxidase inhibitors from Brandisia hancei
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A naphthoquinone from Newbouldia laevis roots
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Analysis of cannabinoids by liquid chromatography - Thermospray mass spectrometry and liquid chromatography - Tandem mass spectrometry
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Antifungal alkaloids and limonoid derivatives from Dictamnus dasycarpus
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Diterpenes and sterols from Neoboutonia melleri
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Liquid chromatography coupled to mass spectrometry and nuclear magnetic resonance spectroscopy for the screening of plant constituents
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Monoterpene dimers from Lisianthius seemannii
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Phenols, acetylenes, and sesquiterpene lactones from Inulanthera nuda
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Prenylated flavanones from Monotes engleri: On-line structure elucidation by LC/UV/NMR
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Sesquiterpene glycosides from Dictamnus dasycarpus
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Use of on-flow LC/H-1 NMR for the study of an antioxidant fraction from Orophea enneandra and isolation of a polyacetylene, lignans, and a tocopherol derivative
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Isolation of polyphenols from Polygala gazensis and liquid chromatography mass spectrometry of related African Polygala species
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Phenylpropanoid glycosides from Newbouldia laevis roots
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Rapid detection and subsequent isolation of bioactive constituents of crude plant extracts
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The search for biologically active secondary metabolites
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Triterpenes and triterpenoid saponins from Mussaenda pubescens
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Two new secoiridoid glycosides from Gentiana algida
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Antifungal and antibacterial chalcones from Myrica serrata
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Corniculoside, a new biosidic ester secoiridoid from Halenia corniculata
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Secoiridoids and antifungal aromatic acids from Gentiana algida
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AN ANTIFUNGAL NAPHTHOQUINONE, XANTHONES AND SECOIRIDOIDS FROM SWERTIA-CALYCINA
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XANTHONES, SECOIRIDOIDS AND FLAVONOIDS FROM HALENIA-CORNICULATA
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ORGANOMETALLIC MACROCYCLES - SYNTHESIS AND MOLECULAR-STRUCTURE OF TRIMERIC TARTRATODIRUTHENIUM COMPLEXES
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The plant pathogen Pseudomonas aeruginosa triggers a DELLA-dependent seed germination arrest in Arabidopsis
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Pharmacognosy in the digital era: shifting to contextualized metabolomics
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Antileishmanial Activity of Dimeric Flavonoids Isolated from Arrabidaea brachypoda
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Chemo-Diversification of Plant Extracts Using a Generic Bromination Reaction and Monitoring by Metabolite Profiling
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Chemical Constituents of Anacardium occidentale as Inhibitors of Trypanosoma cruzi Sirtuins
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Structural Identification of Antibacterial Lipids from Amazonian Palm Tree Endophytes through the Molecular Network Approach
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Can biochemical phenotype, obtained from herbarium samples, help taxonomic decisions? – A case study using Gentianaceae
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Chemical Composition, Antioxidant, and Anti-inflammatory Activities of Whole Parts of Onobrychis crista-galli (L.) Lam
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Wound‐ and mechanostimulated electrical signals control hormone responses
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Phosphatidylcholines from Pieris brassicae eggs activate an immune response in Arabidopsis
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Paecilosetin Derivatives as Potent Antimicrobial Agents from Isaria farinosa
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In Vitro Anti-Inflammatory Activity in Arthritic Synoviocytes of A. brachypoda Root Extracts and Its Unusual Dimeric Flavonoids
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Tackling Pseudomonas aeruginosa Virulence by Mulinane-Like Diterpenoids from Azorella atacamensis
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A Cytotoxic Porphyrin from North Pacific Brittle Star Ophiura sarsii
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Spatial and evolutionary predictability of phytochemical diversity
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Constituents of Chamaecrista diphylla (L.) Greene Leaves with Potent Antioxidant Capacity: A Feature-Based Molecular Network Dereplication Approach
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Jean-Marc Nuzillard
Nuzillard Jean-Marc
ORCID: 0000-0002-5120-2556
"Connectivist" approach to organic structure determination Lsd-program assisted Nmr analysis of the insect antifeedant Azadirachtin
10.1016/S0040-4020(01)89576-4
Chrysopentamine, an Antiplasmodial Anhydronium Base from Strychnos usambarensis Leaves
10.1055/s-2004-815461
Chapter 3 Solvent systems
10.1016/S0166-526X(02)80006-X
Pilot-scale ion-exchange centrifugal partition chromatography: Purification of sinalbin from white mustard seeds
10.1002/jssc.200800651
Asymmetric homogeneous reduction of dehydropeptides
10.1016/S0040-4020(01)87539-6
Diffusion Coefficient of CO2 Molecules as Determined by 13C NMR in Various Carbonated Beverages
10.1021/jf034693p
Computer-aided spectral assignment in nuclear magnetic resonance spectroscopy
10.1016/0003-2670(91)87045-9
A simple scheme for the design of solvent-suppression pulses
10.1016/S1090-7807(02)00003-4
Correlation Spectroscopy with Two Simultaneous Soft Pulses (TSETSE)
10.1006/jmra.1995.1011
Alkaloids from stem bark and leaves of Peschiera buchtieni
10.1016/0031-9422(95)00050-H
Limonoid derivatives from Astrotrichilia voamatata
10.1016/S0031-9422(99)00488-4
In Vitro Dermo-Cosmetic Evaluation of Bark Extracts from Common Temperate Trees
10.1055/s-0042-110180
Ring dihedral principal component analysis of furanose conformation
10.1039/9781849739986-00378
Metabolomics reveals simultaneous influences of plant defence system and fungal growth in Botrytis cinerea-infected Vitis vinifera cv. Chardonnay berries
10.1093/jxb/ers228
Alkaloids from root bark of Strychnos panganensis
10.1016/0031-9422(96)00362-7
Synthesis of 3-trialkylsilyl pyrazoles from β-oxo acylsilanes
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New oleanane saponins from the roots of Dendrobangia boliviana identified by LC-SPE-NMR
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NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
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Abundant Extractable Metabolites from Temperate Tree Barks: The Specific Antimicrobial Activity of Prunus Avium Extracts
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The Zebra Mussel (Dreissena polymorpha) as a Model Organism for Ecotoxicological Studies: A Prior 1H NMR Spectrum Interpretation of a Whole Body Extract for Metabolism Monitoring
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Multiple solvent signal presaturation and decoupling artifact removal in <sup>13</sup>C{<sup>1</sup>H} nuclear magnetic resonance
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Dereplication of Natural Extracts Diluted in Glycerin: Physical Suppression of Glycerin by Centrifugal Partition Chromatography Combined with Presaturation of Solvent Signals in 13C-Nuclear Magnetic Resonance Spectroscopy
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1H-NMR metabolomics profiling of zebra mussel (Dreissena polymorpha): A field-scale monitoring tool in ecotoxicological studies
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Dereplication of Natural Extracts Diluted in Propylene Glycol, 1,3-Propanediol and Glycerin. Comparison of Leontopodium alpinum Cass. (Edelweiss) Extracts as a Case Study
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The Three Pillars of Natural Product Dereplication. Alkaloids from the Bulbs of Urceolina peruviana (C. Presl) J.F. Macbr. as a Preliminary Test Case
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NMReDATA: Tools and applications
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Taxonomy-focused Natural Product Databases for Carbon-13 NMR-based Dereplication
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Virtual decoupling to break the Simplification Versus Resolution Trade Off in NMR of Complex Metabolic Mixtures
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Supplementary material to "Virtual decoupling to break the Simplification Versus Resolution Trade Off in NMR of Complex Metabolic Mixtures"
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Taxonomy-Focused Natural Product Databases for Carbon-13 NMR-Based Dereplication
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ViscY NMR experiments in phosphoric acid as a viscous solvent for individualization of small molecules within mixtures by spin diffusion
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Virtual decoupling to break the simplification versus resolution trade-off in nuclear magnetic resonance of complex metabolic mixtures
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