Semi-Targeted Analysis of Complex Matrices by ESI FT-ICR MS or How an Experimental Bias may be Used as an Analytical Tool

AbstractUltra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification of the compounds of interest. On the other hand, comprehensive two-dimensional gas chromatography (GC × GC) coupled to specific detectors (HRMS or NCD) is able to quantify the main families identified in these complex matrices. In this paper, this innovative dual approach has been used to evaluate the ionization response of nitrogen compounds in gas oils as a case study. To this extent, a large gas oil dataset has been analyzed by GC × GC/HRMS, GC × GC-NCD and ESI(+/−)-FT-ICR MS. Then, the concentrations obtained from GC × GC-NCD have been compared to those obtained from FT-ICR MS hence proving that strong ionization competitions are taking place and also depending on the origin of the sample. Finally, multilinear regressions (MLR) have been used to quantitatively predict nitrogen families from FT-ICR MS measurements as well as start rationalizing the ionization competition phenomena taking place between them in different types of gas oils.

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Towards a New Pseudo-quantitative Approach to Evaluate the Ionization Response of Nitrogen Compounds in Complex Matrices

10.21203/rs.3.rs-136708/v1 ◽

2021 ◽

Author(s):

Julie Guillemant ◽

Marion Lacoue-Nègre ◽

Alexandra Berlioz-Barbier ◽

Florian Albrieux ◽

Luis Pereira de Oliveira ◽

...

Keyword(s):

High Resolution Mass Spectrometry ◽

Absolute Quantification ◽

Petroleum Products ◽

Nitrogen Compounds ◽

Complex Matrices ◽

Ft Icr Ms ◽

Ft Icr ◽

Ionization Response

Abstract Ultra high-resolution mass spectrometry (FT-ICR MS) coupled to electrospray ionization (ESI) provides unprecedented molecular characterization of complex matrices such as petroleum products. However, ESI faces major ionization competition phenomena that prevent the absolute quantification of the compounds of interest. On the other hand, comprehensive two-dimensional gas chromatography (GC × GC) coupled to specific detectors (HRMS or NCD) is able to quantify the main families identified in these complex matrices. In this paper, this innovative dual approach has been used to evaluate the ionization response of nitrogen compounds in gas oils as a case study. To this extent, a large gas oil dataset has been analyzed by GC × GC/HRMS, GC × GC-NCD and ESI(+/-)-FT-ICR MS. Then, the concentrations obtained from GC × GC-NCD have been compared to those obtained from FT-ICR MS hence proving that strong ionization competitions are taking place and also depending on the origin of the sample. Finally, multilinear regressions (MLR) have been used to quantitatively predict nitrogen families from FT-ICR MS measurements as well as start rationalizing the ionization competition phenomena taking place between them in different types of gas oils.

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PHYTOCHEMICAL SCREENING, ANTIOXIDANT, ANTI-CYTOTOXIC AND ANTICANCER EFFECTS OF GALINSOGA PARVIFLORA AND VERNONIA POLYANTHES (ASTERACEAE) EXTRACTS

International Journal of Research -GRANTHAALAYAH ◽

10.29121/granthaalayah.v8.i10.2020.1782 ◽

2020 ◽

Vol 8 (10) ◽

pp. 84-98

Author(s):

Sula M. V. Feleti ◽

Renê L. Aleluia ◽

Suiany V. Gervásio ◽

Jean Carlos V. Dutra ◽

Jessica R. P. Oliveira ◽

...

Keyword(s):

Fatty Acids ◽

Phenolic Acids ◽

Unsaturated Fatty Acids ◽

Biological Effects ◽

Human Lymphocytes ◽

Chemical Characterization ◽

Total Content ◽

Ags Cells ◽

Ft Icr Ms ◽

Ft Icr

The study was designed to investigate the chemical composition and the biological effects of G. parviflora and V. polyanthes ethanolic extracts in vitro. Total content of phenols, flavonoids and tannins was quantified by spectrophotometry; chemical characterization was permed by mass spectrometry (ESI (-) FT-ICR MS and APCI (+) FT-ICR MS analysis). Antioxidant activities were determined by FRAP and Fe2+ chelating methods. Extracts cytotoxicity was evaluated in human lymphocytes, sarcoma-180 (S-180) and human gastric adenocarcinoma (AGS) cells, by MTT assay. V. polyanthes presented higher total content of tannins and G. parviflora presented higher amount of phenols and flavonoids. Chemical characterization showed the presence of flavonoids, phenolic acids and sesquiterpene lactones in V. polyanthes extract, and steroids, phenolic acids and fatty acids (Poly Unsaturated Fatty Acids - PUFA) in G. parviflora extract. V. polyanthes extract stood out in the Fe2+ chelation test. G. parviflora extract did not present outstanding antioxidant results in the tested protocols. Both species showed a tendency to promote cytotoxicity in human lymphocyte cells. Regarding the antiproliferative effect, both species were able to reduce S-180 cell viability and G. parviflora extract showed high antiproliferative potential in the assay with AGS cells. These findings reinforce the medicinal use of these plants, as well as suggest their potential use for the development of new drugs and for the treatment of cancers.

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