(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 |
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| Language: | English |
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MDPI - Multidisciplinary Digital Publishing Institute
2023
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| Online Access: | ONIX_20230307_9783036561257_31 |
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| _version_ | 1863749442101837824 |
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| collection | Directory of Open Access Books |
| description | (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. |
| format | Online |
| id | doab-20.500.12854ir-98021 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2023 |
| publishDateRange | 2023 |
| publishDateSort | 2023 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-980212023-03-07T16:29:32Z (Mass Spectrometric) Non Target Screening–Techniques and Strategies Letzel, Thomas 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 (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. 2023-03-07T16:29:28Z 2023-03-07T16:29:28Z 2023 book ONIX_20230307_9783036561257_31 9783036561257 9783036566405 https://directory.doabooks.org/handle/20.500.12854/98021 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/6748 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-6640-5 10.3390/books978-3-0365-6640-5 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036561257 9783036566405 256 Basel open access |
| spellingShingle | 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 (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title | (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title_full | (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title_fullStr | (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title_full_unstemmed | (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title_short | (Mass Spectrometric) Non Target Screening–Techniques and Strategies |
| title_sort | mass spectrometric non target screening techniques and strategies |
| topic | 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 |
| topic_facet | 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 |
| url | ONIX_20230307_9783036561257_31 |