scholarly journals Comparing Crude Oils with Different API Gravities on a Molecular Level Using Mass Spectrometric Analysis. Part 2: Resins and Asphaltenes

Energies ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2767 ◽  
Author(s):  
Jandyson Santos ◽  
Alessandro Vetere ◽  
Alberto Wisniewski ◽  
Marcos Eberlin ◽  
Wolfgang Schrader
Keyword(s):  
Molecular Level ◽  
Chemical Characterization ◽  
American Petroleum Institute ◽  
Crude Oils ◽  
Spectrometric Analysis ◽  
Ion Cyclotron Resonance ◽  
Heavy Medium ◽  
Ft Icr Ms ◽  
Ft Icr

The combination of fractionation methods for crude oils, such as saturate, aromatic, resin and asphaltene (SARA) fractionation, in combination with analysis by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been used for reducing the complexity and improving the characterization of crude oils. We have used the FT-ICR MS techniques in conjunction with electrospray ionization (ESI(±)) and atmospheric pressure photoionization (APPI(+)) to find trends between MS data of SARA fractions of crude oils with different American Petroleum Institute (API) gravities from the Sergipe-Alagoas basin (Brazil), focusing on the resin and asphaltene fractions. For the first time, an adaptation of the SARA fractionation has been performed to obtain a second resin fraction, which presented compounds with an intermediate aromaticity level between the first resins and asphaltene fraction. Both the first and second resin and the asphaltene fractions were studied on a molecular level using multiple ionization techniques and FT-ICR MS to find a direct relationship between the API gravities of a heavy, medium and light crude oil. For the FT-ICR MS data and the API gravities an aromaticity tendency was found. The data show that the use of SARA fractionation with FT-ICR MS offers a tool for comprehensive characterization of individual fractions and selective chemical characterization of the components in crude oils.

scholarly journals Comparing Crude Oils with Different API Gravities on a Molecular Level Using Mass Spectrometric Analysis. Part 1: Whole Crude Oil

Energies ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2766 ◽  
Author(s):  
Jandyson Santos ◽  
Alberto Wisniewski Jr. ◽  
Marcos Eberlin ◽  
Wolfgang Schrader
Keyword(s):  
Crude Oil ◽  
Atmospheric Pressure ◽  
Molecular Level ◽  
Carbon Number ◽  
Mass Spectrometric ◽  
Oil Refining ◽  
Crude Oils ◽  
Spectrometric Analysis ◽  
Ft Icr Ms ◽  
Ft Icr

Different ionization techniques based on different principles have been applied for the direct mass spectrometric (MS) analysis of crude oils providing composition profiles. Such profiles have been used to infer a number of crude oil properties. We have tested the ability of two major atmospheric pressure ionization techniques, electrospray ionization (ESI(±)) and atmospheric pressure photoionization (APPI(+)), in conjunction with Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The ultrahigh resolution and accuracy measurements of FT-ICR MS allow for the correlation of mass spectrometric (MS) data with crude oil American Petroleum Institute (API) gravities, which is a major quality parameter used to guide crude oil refining, and represents a value of the density of a crude oil. The double bond equivalent (DBE) distribution as a function of the classes of constituents, as well as the carbon numbers as measured by the carbon number distributions, were examined to correlate the API gravities of heavy, medium, and light crude oils with molecular FT-ICR MS data. An aromaticity tendency was found to directly correlate the FT-ICR MS data with API gravities, regardless of the ionization technique used. This means that an analysis on the molecular level can explain the differences between a heavy and a light crude oil on the basis of the aromaticity of the compounds in different classes. This tendency of FT-ICR MS with all three techniques, namely, ESI(+), ESI(−), and APPI(+), indicates that the molecular composition of the constituents of crude oils is directly associated with API gravity.

scholarly journals Atmo-metabolomics: a new measurement approach for investigating aerosol composition and ecosystem functioning

2016 ◽  
Author(s):  
Albert Rivas-Ubach ◽  
Yina Liu ◽  
Jordi Sardans ◽  
Malak M. Tfaily ◽  
Young-Mo Kim ◽  
...  
Keyword(s):  
Cloud Condensation Nuclei ◽  
Chemical Characterization ◽  
Ion Cyclotron Resonance ◽  
Aerosol Sampling ◽  
Higher Plant ◽  
Aerosol Composition ◽  
Atmospheric Processes ◽  
Ft Icr Ms ◽  
Ft Icr

Abstract. Aerosols directly and indirectly play crucial roles in the processes controlling the composition of the atmosphere and the functioning of ecosystems. Gaining a deeper understanding of the chemical composition of aerosols is one of the major challenges for atmospheric and climate scientists and is beginning to be recognized as important for ecological research. Better comprehension of aerosol chemistry can potentially provide valuable information on atmospheric processes such as oxidation of organics and the production of cloud condensation nuclei as well as provide an approximation of the general status of an ecosystem through the measurement of certain stress biomarkers. In this study, we describe an efficient aerosol sampling method, the metabolite extraction procedures for the chemical characterization of aerosols, namely, the atmo-metabolome. We used mass spectrometry (MS) coupled to liquid chromatography (LC-MS), gas chromatography (GC-MS) and Fourier transform ion cyclotron resonance (FT-ICR-MS) for a deep characterization of the atmo-metabolome. The atmo-metabolomes from two distinct seasons, spring and summer, were compared to test the sensitivity and demonstrate the information that can be provided from each analytical platform. Our results showed that our sampling and extraction methods are suitable for aerosol chemical characterization with any of the analytical platforms used in this study. The three datasets obtained from these individual platforms showed significant differences of the overall atmo-metabolome between spring and summer. LC-MS and GC-MS analyses identified several metabolites that can be attributed to pollen and other plant-related aerosols. Spring samples exhibit higher concentrations of metabolites linked to higher plant activity while summer samples had higher concentrations of metabolites that may reflect certain oxidative stresses. FT-ICR-MS analysis showed clear differences in the elemental composition of aerosols between spring and summer. Summer aerosols were generally higher in molecular weight and with higher O / C ratios, indicating higher oxidation levels and condensation of compounds relative to spring. Our method represents an advanced approach for characterizing the composition of aerosols that will benefit scientists attempting to understand complex atmospheric processes and the ecosystem status across a whole ecoregion.

scholarly journals Molecular characterization of aldehydes and ketones in particle phase of mainstream and sidestream cigarette smoke

2019 ◽  
Vol 6 (2) ◽  
pp. 181832
Author(s):  
Xiu Chen ◽  
Quan Shi ◽  
Xibin Zhou ◽  
Xuezheng Liu
Keyword(s):  
Mass Spectrometry ◽  
Cigarette Smoke ◽  
Gas Chromatography Mass Spectrometry ◽  
Ion Cyclotron Resonance ◽  
Particle Phase ◽  
Orbitrap Mass Spectrometry ◽  
Aldehydes And Ketones ◽  
Ft Icr Ms ◽  
Ft Icr

Aldehydes and ketones (AKs) in cigarette smoke are risk to humans and environment. Due to the complexity of itself and the interference of the smoke tar matrix, the aldehydes and ketones in particle phase (AKPs) of mainstream smoke (MSS) and sidestream smoke (SSS) have not been well investigated. In this study, the AKPs of MSS and SSS were derivatized into polar products by reaction with Girard T reagent. The derivatives were isolated rapidly by column chromatography and analysed by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Fifteen species of aldehydes and ketones were detected by positive ion electrospray ionization (ESI) FT-ICR MS: O 1–6 , N 1 O 1–4 , N 2 O 1–3 and N 3 O 2–3 . The total number of AKPs obtained by ESI FT-ICR MS in MSS and SSS is about 1100 and 970, respectively. After hydrolysis, the original AKPs were obtained and 63 carbonyls were identified and quantified by gas chromatography–mass spectrometry (GCMS). The nitrogen-containing and high-oxygen AKPs were further characterized by Orbitrap mass spectrometry. Structures of compounds with high relative abundance in the mass spectrum were speculated (e.g. a series of degradants of cembrenediol) by comparison with the results of GCMS.

scholarly journals Characterization of Vanadium and Sulfur Containing Compounds of Kazakhstan Petroleum Vacuum Residuum

2021 ◽  
Author(s):  
Yerdos Ongarbayev ◽  
Shynar Oteuli ◽  
Yerbol Tileuberdi ◽  
Yahe Zhang ◽  
Fang Zheng ◽  
...  
Keyword(s):  
Cyclotron Resonance ◽  
Bulk Property ◽  
Ion Cyclotron Resonance ◽  
Molecular Weights ◽  
Ft Icr Ms ◽  
Positive Ion ◽  
Sulfur Containing ◽  
Sulfur Containing Compounds ◽  
Ft Icr

In the paper, bulk property and chemical composition of Kazakhstan vacuum residuum were characterized. Sulfides and thiophenes were selectively isolated from the residuum and characterized by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Molecular weights of the sulfur compounds were varied from 150 to 800 Da and S1 , S2 , O1S1 , O2S1 , N1S1 class species were assigned in the heavy oil derived methylsulfonium. Vanadyl porphyrins characterized by positive-ion electrospray ionization and FT-ICR MS, which showed that etioporphyrins (ETIO) (CnH2n-28N4V1O1 , corresponding to DBE = 17) and deoxophylloerythroetioporphyrins (DPEP) (CnH2n-30N4V1O1, corresponding to DBE = 18). It should be noted that the vanadyl porphyrins were most abundant.

scholarly journals Technical Note: Molecular characterization of aerosol-derived water soluble organic carbon using ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

2008 ◽  
Vol 8 (17) ◽  
pp. 5099-5111 ◽  
Author(s):  
A. S. Wozniak ◽  
J. E. Bauer ◽  
R. L. Sleighter ◽  
R. M. Dickhut ◽  
P. G. Hatcher
Keyword(s):  
New York ◽  
Mass Spectra ◽  
Water Soluble ◽  
Ion Cyclotron Resonance ◽  
Electrospray Ionization Fourier Transform ◽  
Water Soluble Organic Carbon ◽  
Soluble Organic Carbon ◽  
Ft Icr Ms ◽  
Ft Icr

Abstract. Despite the acknowledged relevance of aerosol-derived water-soluble organic carbon (WSOC) to climate and biogeochemical cycling, characterization of aerosol WSOC has been limited. Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) was utilized in this study to provide detailed molecular level characterization of the high molecular weight (HMW; m/z>223) component of aerosol-derived WSOC collected from rural sites in Virginia and New York, USA. More than 3000 peaks were detected by ESI FT-ICR MS within a m/z range of 223–600 for each sample. Approximately 86% (Virginia) and 78% (New York) of these peaks were assigned molecular formulas using only carbon (C), hydrogen (H), oxygen (O), nitrogen (N), and sulfur (S) as elemental constituents. H/C and O/C molar ratios were plotted on van Krevelen diagrams and indicated a strong contribution of lignin-like and lipid-like compounds to the aerosol-derived WSOC samples. Approximately 1–4% of the peaks in the aerosol-derived WSOC mass spectra were classified as black carbon (BC) on the basis of double bond equivalents calculated from the assigned molecular formulas. In addition, several high-magnitude peaks in the mass spectra of samples from both sites corresponded to molecular formulas proposed in previous secondary organic aerosol (SOA) laboratory investigations indicating that SOAs are important constituents of the WSOC. Overall, ESI FT-ICR MS provides a level of resolution adequate for detailed compositional and source information of the HMW constituents of aerosol-derived WSOC.

Chemical Characterization of Cloudwater Collected at Puy de Dôme by FT-ICR MS Reveals the Presence of SOA Components

2019 ◽  
Vol 3 (10) ◽  
pp. 2076-2087 ◽  
Author(s):  
Angelica Bianco ◽  
Matthieu Riva ◽  
Jean-Luc Baray ◽  
Mickaël Ribeiro ◽  
Nadine Chaumerliac ◽  
...  
Keyword(s):  
Chemical Characterization ◽  
Ft Icr Ms ◽  
Ft Icr

Detection of chemical constituents in Gegenqinlian decoction by ultra-high performance liquid chromatography coupled with Fourier transform ion cyclotron resonance mass spectrometry

2017 ◽  
Vol 9 (40) ◽  
pp. 5890-5902 ◽  
Author(s):  
Ting Liu ◽  
Yue Cui ◽  
Xiumin Tian ◽  
Songhe Li ◽  
Fei Han ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Fourier Transform ◽  
Cyclotron Resonance ◽  
High Performance ◽  
Chemical Constituents ◽  
Ion Cyclotron Resonance ◽  
Ft Icr Ms ◽  
Ft Icr

A rapid and sensitive UHPLC-FT-ICR-MS method was employed for the systematic characterization of GQLD.

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