ArticleMolecules (Basel, Switzerland)2020
Evaluation of a Simplified Method for GC/MS Qualitative Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, and Organic Pesticides Using PARADISe Computer Program.
Article in Molecules (Basel, Switzerland), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- The Variation and Influencing Factors of Volatile Organic Compounds on Branch and Leaf ofLife (Basel, Switzerland) · 2026Article
- Chromatographic Fingerprinting of Cacao Pod Husk Extracts (Theobroma cacao L.): Exploring Antibacterial, Antioxidant, and Antidiabetic Properties with In Silico Molecular Docking Analysis.Applied biochemistry and biotechnology · 2024Article
- Non-Target Screening of Chemicals in Selected Cotton Products by GC/MS and Their Safety Assessment.Molecules (Basel, Switzerland) · 2024Article
- The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution.Molecules (Basel, Switzerland) · 2022Article
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Authors and funding
1 author.
Funding
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Abstract
For complex matrices such as environmental samples, there is usually a problem with not fully resolved peaks during GC/MS analysis. The PARADISe computer program (based on the PARFAC2 model) allows the identification of peaks using the deconvoluted mass spectra and the NIST MS library. The number of repetitions required by this software (at least five) is a real limitation for the determination of semi-volatile compounds, like polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and organic pesticides in environmental samples. In this work, the method to overcome this condition was proposed and evaluated. The sets of the five files required by PARADISe were prepared by mathematically modifying the original GC/MS chromatograms obtained for the standard mixture (C = 2 µg/mL of 40 compounds) and real sample extracts (soil samples with different total organic carbon content and one cardboard extract) spiked with standards. Total average match factor for all the substances identified in a standard mixture was 874 (near 900-"excellent match"), and for all the substances in the real samples, it was 786 (near 800-"good match"). The results from PARADISe were comparable to those obtained with other programs: AMDIS (NIST) and MassHunter (Agilent), tested also in this work. PARADISe software can be effectively used for chromatogram deconvolution and substance identification.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.