scholarly journals Molecular Characteristics of Organosulfur Compounds in Guangzhou, South China: Heterogeneous Secondary Reactions Drivers the Molecular Distribution

2022 ◽  
Author(s):  
Hongxing Jiang ◽  
Jun Li ◽  
Jiao Tang ◽  
Min Cui ◽  
Shizhen Zhao ◽  
...  
Keyword(s):  
Large Fraction ◽  
Environmental Parameters ◽  
Heterogeneous Reactions ◽  
Organic Sulfur ◽  
Molecular Characteristics ◽  
Formation Mechanisms ◽  
Ion Cyclotron Resonance ◽  
Organosulfur Compounds ◽  
Ft Icr Ms ◽  
Ft Icr

Abstract. Organosulfur compounds (OrgSs), especially organosulfates, have been widely reported at large quantities in particulate organic matter found in various atmospheric environments. Despite various kinds of organosulfates and their formation mechanisms being previously identified, a large fraction of OrgSs remain unexplained at the molecular level, impeding further knowledge on additional formation pathways and critical environmental parameters that help to explain their concentrations. In this work, the abundance and molecular composition of OrgSs in fine particulate samples collected in Guangzhou was reported. Our results revealed that organic sulfur can averagely contribute to 30 % of total particulate sulfur, and showed positively correlations with the SO2 (r = 0.37, p < 0.05) and oxidants (NOx+O3, r = 0.40, p < 0.01). Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) results presented that more than 80 % by number of the detected OrgSs in our samples have the elemental composition of O/(4S+3N)  ≥ 1, indicating that they were largely in the form of oxidized organosulfates and/or nitrooxy organosulfates. Many OrgSs, which are tentatively attributed to previously identified biogenic and anthropogenic origins, were also present in aerosols derived from freshly-emitted combustion sources. Results show that the formation of OrgSs through an epoxide intermediate pathway could be as much as 46 %, and the oxidants levels could explain 20 % variation of organic sulfur mass. The analysis from our large FT-ICR MS dataset suggests that relative humidity, oxidation of biogenic volatile organic compounds via ozonolysis, and NOx-related nitrooxy organosulfate formations were the major reasons for the molecular variation of OrgSs, possibly highlighting the importance of heterogeneous reactions involving either the uptake of SO2 or the heterogeneous oxidations of particulate organosulfates into additional unrecognized OrgSs.

scholarly journals Molecular Characterization of Polar Organic Matters in Off-road Engine Emissions Using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS): New Direction to Find Biomarkers

2019 ◽  
Author(s):  
Min Cui ◽  
Cheng Li ◽  
Yingjun Chen ◽  
Fan Zhang ◽  
Jun Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Fourier Transform ◽  
Cyclotron Resonance ◽  
Fuel Oil ◽  
Ion Cyclotron Resonance ◽  
Aromatic Rings ◽  
Peak Response ◽  
Composition And Structure ◽  
Ft Icr Ms ◽  
Ft Icr

Abstract. The molecular composition and structure of polar organic matters (POM) in particles emitted from various vessels and excavators were characterized using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS). POM was extracted by purified water and was discussed by elemental composition which was divided into three groups, namely CHO, CHON and S-containing compounds (CHONS and CHOS). The results showed that: (i) CHO (accounting for 49 % of total POM relative peak response) was the most abundant group for all tested off-road engines, followed by CHON (33 %) and CHOS (35 %) for diesel- and HFO (heavy fuel oil)-fueled off-road equipment, respectively. (ii) The abundance and structure of the CHON group in water extracts were different in terms of engine type and load. The fraction of relative peak response of CHON was highest for excavator emissions under the working mode compared to other modes (idling and moving). Furthermore, dinitrophenol and methyl dinitrophenol were the most abundant emission species for excavators with high rated speed, while nitronaphthol and methyl nitronaphthol were more important for low rated speed vessels. (iii) The composition and structure of S-containing compounds was directly influenced by fuel oil characteristics (sulfur content and aromatic ring), with much more condensed aromatic rings in S-containing compounds observed for HFO-fueled vessels, while more abundant aliphatic chains were observed in emissions from diesel equipment. Overall, higher fractions of condensed hydrocarbons and aromatic rings in POM emitted from vessels using HFO caused strong optical absorption capacity. And different structures existing in POM could provide a direction to qualitative and quantities the exact organic compounds as tracers to distinguish the emission from diesel or HFO- fueled off-road engines.

scholarly journals Publisher Correction: Effect of endogenous microbiota on the molecular composition of cloud water: a study by Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS)

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Angelica Bianco ◽  
Laurent Deguillaume ◽  
Nadine Chaumerliac ◽  
Mickaël Vaïtilingom ◽  
Miao Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Fourier Transform ◽  
Cyclotron Resonance ◽  
Cloud Water ◽  
Molecular Composition ◽  
Ion Cyclotron Resonance ◽  
Correction Effect ◽  
Ion Cyclotron ◽  
Ft Icr Ms ◽  
Ft Icr

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

scholarly journals Probing rapid carbon fixation in fast-growing seaweed Ulva meridionalis using stable isotope 13C-labelling

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Shuntaro Tsubaki ◽  
Hiroshi Nishimura ◽  
Tomoya Imai ◽  
Ayumu Onda ◽  
Masanori Hiraoka
Keyword(s):  
Mass Spectrometry ◽  
Stable Isotope ◽  
Carbon Fixation ◽  
High Growth ◽  
Gas Chromatography Mass Spectrometry ◽  
Ion Cyclotron Resonance ◽  
Stable Isotope Labelling ◽  
Ft Icr Ms ◽  
Ft Icr ◽  
C Nmr

AbstractThe high growth rate of Ulva seaweeds makes it a potential algal biomass resource. In particular, Ulva meridionalis grows up to fourfold a day. Here, we demonstrated strong carbon fixation by U. meridionalis using 13C stable isotope labelling and traced the 13C flux through sugar metabolites with isotope-ratio mass spectrometry (IR-MS), Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), 13C-nuclear magnetic resonance spectrometry (13C-NMR), and gas chromatography-mass spectrometry (GC–MS). U. meridionalis was first cultured in 13C-labelled enriched artificial seawater for 0–12 h, and the algae were collected every 4 h. U. meridionalis grew 1.8-fold (dry weight), and the 13C ratio reached 40% in 12 h, whereas 13C incorporation hardly occurred under darkness. At the beginning of the light period, 13C was incorporated into nucleic diphosphate (NDP) sugars in 4 h, and 13C labelled peaks were identified using FT-ICR-MS spectra. Using semiquantitative 13C-NMR measurements and GC–MS, 13C was detected in starch and matrix polysaccharides after the formation of NDP sugars. Moreover, the 14:10 light:dark regime resulted into 85% of 13C labelling was achieved after 72 h of cultivation. The rapid 13C uptake by U. meridionalis shows its strong carbon fixation capacity as a promising seaweed biomass feedstock.

scholarly journals Profiling Murchison Soluble Organic Matter for New Organic Compounds with APPI- and ESI-FT-ICR MS

Life ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 48 ◽  
Author(s):  
Jasmine Hertzog ◽  
Hiroshi Naraoka ◽  
Philippe Schmitt-Kopplin
Keyword(s):  
Organic Matter ◽  
Negative Ion ◽  
Ion Cyclotron Resonance ◽  
Ms Analysis ◽  
Major Interest ◽  
Polycyclic Aromatic ◽  
Soluble Organic Fraction ◽  
Negative Ion Mode ◽  
Ft Icr Ms ◽  
Ft Icr

The investigation of the abundant organic matter in primitive meteorite such as carbonaceous chondrites is of major interest in the field of origin of life. In this study, the soluble organic fraction of the Murchison meteorite was analyzed by atmospheric pressure photoionization (APPI) and electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), in both detection modes. Such an approach ensured that we obtained an extensive description of the organic matter of the CM2 meteorite. Indeed, while in total close to 16,000 unique features were assigned, only 4% are common to all analyses, illustrating the complementarity of both the detection modes and the ionization sources. ESI FT-ICR MS analysis, in negative-ion mode, ensured to observe specifically CHOS and CHNOS species, whereas the positive-ion mode is more dedicated to the detection of CHNO and CHN species. Moreover, new organomagnesium components were observed in (+) ESI. Eventually, (+) APPI FT-ICR MS analysis was a preferred method for the detection of less polar or nonpolar species such as polycyclic aromatic hydrocarbons but also heteroatom aromatic species composing the organic matter of Murchison.

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.

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