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(Mass Spectrometric) Non Target Screening–Techniques and Strategies

(Mass spectrometric) non-target screening is a preferably comprehensive and untargeted (predominantly organic molecules detecting) approach combining (robust) analytical measurements with adapted data evaluation concepts, systematic compound identification workflows, and statistical data interpretat...

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Format: Online
Sprog:engelsk
Udgivet: MDPI - Multidisciplinary Digital Publishing Institute 2023
Fag:
Ganoderma lingzhi
developmental stages
untargeted metabolomics
GC/MS
LC/IT-TOF-MS
α-glucosidase inhibitory activity
azoxystrobin
glutathione
glutathione conjugate
tea
metabolomics
software
database
MS subtraction
spectral deconvolution
2DGC
volatilomics
amino acids
equation
HPLC
MS/MS
NTS techniques (separation, ionization, and detection)
nucleosides
open access software
target gas
triple quadrupole
mass spectrometry
non-target screening
ultraviolet photodissociation
higher-energy collisional dissociation
organic micropollutants
water quality
small molecule fragmentation
cheminformatics
data analysis
furan
2-methylfuran
UPLC-qToF
untargeted analysis
urinary metabolites
Ionization
quantification
decision making
NTS strategies
gas chromatography ion mobility spectroscopy (GC-IMS)
volatile organic compounds (VOCs)
non-targeted screening (NTS) using machine learning
GC–API
GC–APCI
GC–APLI
GC–APPI
GC–MS
persistent organic pollutants
nontargeted screening
computational mass spectrometry
emerging contaminants
high-resolution mass spectrometry
micropollutant fingerprint
solid phase extraction
statistical analysis
urban waters
glycomics
glycoproteomics
glycosylation
proteomics
in silico docking
network pharmacology
non-small cell lung cancer
marker compounds
non-targeted screening
pharmaceutical and personal care products
plant-derived food
collision cross section
ion mobility spectrometry
machine learning
lipidomics
review
analytical
corticosteroids
NSAIDs
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
thema EDItEUR::P Mathematics and Science::PN Chemistry
thema EDItEUR::P Mathematics and Science::PN Chemistry::PNF Analytical chemistry
Online adgang:ONIX_20230405_9783036561257_20
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Summary:(Mass spectrometric) non-target screening is a preferably comprehensive and untargeted (predominantly organic molecules detecting) approach combining (robust) analytical measurements with adapted data evaluation concepts, systematic compound identification workflows, and statistical data interpretation. It is well suitable for the identification of new, unexpected and/or unknown organic compounds as well as monitoring ‘molecular fingerprints’ and profiling ‘process-relevant’ molecules via statistical methods. In recent years, 14 articles in various disciplines were published and presented in this Special Issue, whereby it contains 4 peer-reviewed review articles and 10 peer-reviewed research articles dealing with non-target screening strategies and solutions.

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