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New vanadium compounds in Venezuela heavy crude oil detected by positive-ion electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

ABSTRACT: Metalloporphyrins are ubiquitous in nature, particularly iron porphyrins (hemes) and magnesium dihydroporphyrins or chlorophylls. Oxovanadium (IV) complexes of alkyl porphyrins are widely distributed in petroleum, oil shales and maturing sedimentary bitumen. Here we identify new vanadium compounds in Venezuela Orinoco heavy crude oil detected by Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). These compounds likely have the main structure of porphyrin, with the addition of more aromatic rings, thiophene and amino functional groups, corresponding to molecular series of C(n)H(2n-40)N(4)V(1)O(1) (36 ? n ? 58),C(n)H(2n-42)N(4)V(1)O(1) (37 ? n ? 57),C(n)H(2n-44)N(4)V(1)O(1) (38 ? n ? 59),C(n)H(2n-46)N(4)V(1)O(1) (43 ? n ? 54),C(n)H(2n-48)N(4)V(1)O(1) (45 ? n ? 55),C(n)H(2n-38)N(4)V(1)S(1)O(1) (36 ? n ? 41),C(n)H(2n-40)N(4)V(1)S(1)O(1) (35 ? n ? 51),C(n)H(2n-42)N(4)V(1)S(1)O(1) (36 ? n ? 54),C(n)H(2n-44)N(4)V(1)S(1)O(1) (41 ? n ? 55),C(n)H(2n-46)N(4)V(1)S(1)O(1) (39 ? n ? 55),C(n)H(2n-27)N(5)V(1)O(1) (29 ? n ? 40),C(n)H(2n-29)N(5)V(1)O(1) (34 ? n ? 42),C(n)H(2n-33)N(5)V(1)O(1) (31 ? n ? 38),C(n)H(2n-35)N(5)V(1)O(1) (32 ? n ? 41),C(n)H(2n-27)N(5)V(1)O(2) (32 ? n ? 41) and C(n)H(2n-29)N(5)V(1)O(2) (33 ? n ? 42). These findings are significant for the understanding of the existing form of vanadium species in nature, and are helpful for enhancing the amount of information on palaeoenvironments and improving the level of applied basic theory for the processing technologies of heavy oils.

SUBMITTER: Zhao X

PROVIDER: S-EPMC4064336 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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New vanadium compounds in Venezuela heavy crude oil detected by positive-ion electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

Zhao Xu X Shi Quan Q Gray Murray R MR Xu Chunming C

Scientific reports 20140620

Metalloporphyrins are ubiquitous in nature, particularly iron porphyrins (hemes) and magnesium dihydroporphyrins or chlorophylls. Oxovanadium (IV) complexes of alkyl porphyrins are widely distributed in petroleum, oil shales and maturing sedimentary bitumen. Here we identify new vanadium compounds in Venezuela Orinoco heavy crude oil detected by Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS). These compounds likely have the main structure of porphyrin, with the addition ...[more]

PMID: 24948028

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Project description:Metabolomics is an interdisciplinary field that aims to study all metabolites < 1500 Da that are ubiquitously found within all organisms. Metabolomics is experiencing exponential growth and commonly relies on high-resolution mass spectrometry (HRMS). Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) is a form of HRMS that is particularly well suited for metabolomics research due to its exceptionally high resolution (105-106) and sensitivity with a mass accuracy in parts per billion (ppb). In this regard, FT-ICR-MS can provide valuable insights into the metabolomics analysis of complex biological systems due to unique capabilities such as the easy separation of isobaric and isomeric species, isotopic fine structure analysis, spatial resolution of metabolites in cells and tissues, and a high confidence (<1 ppm mass error) in metabolite identification. Alternatively, the large and complex data sets, long acquisition times, high cost, and limited access mainly through national mass spectrometry facilities may impede the routine adoption of FT-ICR-MS by metabolomics researchers. This review examines recent applications of FT-ICR-MS metabolomics in the search for clinical and non-human biomarkers; for the analysis of food, beverage, and environmental samples; and for the high-resolution imaging of tissues and other biological samples. We provide recent examples of metabolomics studies that highlight the advantages of FT-ICR-MS for the detailed and reliable characterization of the metabolome. Additionally, we offer some practical considerations for implementing FT-ICR-MS into a research program by providing a list of FT-ICR-MS facilities and by identifying different high-throughput interfaces, varieties of sample types, analysis methods (e.g., van Krevelen diagrams, Kendrick mass defect plot, etc.), and sample preparation and handling protocols used in FT-ICR-MS experiments. Overall, FT-ICR-MS holds great promise as a vital research tool for advancing metabolomics investigations.

Project description:Gangliosides are anionic glycosphingolipids widely distributed in vertebrate tissues and fluids. Their structural and quantitative expression patterns depend on phylogeny and are distinct down to the species level. In milk, gangliosides are exclusively associated with the milk fat globule membrane. They may participate in diverse biological processes but more specifically to host-pathogen interactions. However, due to the molecular complexities, the analysis needs extensive sample preparation, chromatographic separation, and even chemical reaction, which makes the process very complex and time-consuming. Here, we describe a rapid profiling method for bovine and human milk gangliosides employing matrix-assisted desorption/ionization (MALDI) Fourier transform ion cyclotron resonance (FTICR) mass spectrometry (MS). Prior to the analyses of biological samples, milk ganglioside standards GM3 and GD3 fractions were first analyzed in order to validate this method. High mass accuracy and high resolution obtained from MALDI FTICR MS allow for the confident assignment of chain length and degree of unsaturation of the ceramide. For the structural elucidation, tandem mass spectrometry (MS/MS), specifically as collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) were employed. Complex ganglioside mixtures from bovine and human milk were further analyzed with this method. The samples were prepared by two consecutive chloroform/methanol extraction and solid phase extraction. We observed a number of differences between bovine milk and human milk. The common gangliosides in bovine and human milk are NeuAc-NeuAc-Hex-Hex-Cer (GD3) and NeuAc-Hex-Hex-Cer (GM3); whereas, the ion intensities of ganglioside species are different between two milk samples. Kendrick mass defect plot yields grouping of ganglioside peaks according to their structural similarities. Gangliosides were further probed by tandem MS to confirm the compositional and structural assignments. We found that only in human milk gangliosides was the ceramide carbon always even numbered, which is consistent with the notion that differences in the oligosaccharide and the ceramide moieties confer to their physiological distinctions.

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New vanadium compounds in Venezuela heavy crude oil detected by positive-ion electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

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New vanadium compounds in Venezuela heavy crude oil detected by positive-ion electrospray ionization fourier transform ion cyclotron resonance mass spectrometry.

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