Analysis of Nitrogen-containing Compounds in Mouth-exhaled Breath by Electrospray Ionization Quadrupole Time-of-Flight Mass Spectrometry

Zhou, Wenzhao; Yan, Hong; Zou, Xue; Xia, Lei; Lü, Yan; Shen, Chengyin; Huang, Chaoqun; Chu, Yannan

doi:10.2116/analsci.19n018

Cited by 3 publications

(2 citation statements)

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“…Despite being detected in human exhaled breath studies, its atmospheric pathway remains unclear. 43 In our study, we observed a significant difference in concentrations between autumn and winter, with higher levels observed during autumn and notably lower levels observed during winter (Text S5). ε-Caprolactam may contribute to PM 2.5 through industrial emissions, atmospheric chemical reactions, and potential adherence of metabolites to existing particles.…”

Section: Chon Compoundssupporting

confidence: 46%

“…ε-Caprolactam is commonly used in synthetic fiber manufacturing and various other industrial processes. Despite being detected in human exhaled breath studies, its atmospheric pathway remains unclear . In our study, we observed a significant difference in concentrations between autumn and winter, with higher levels observed during autumn and notably lower levels observed during winter (Text S5).…”

Section: Resultsmentioning

confidence: 61%

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Unveiling the Molecular Characteristics, Origins, and Formation Mechanism of Reduced Nitrogen Organic Compounds in the Urban Atmosphere of Shanghai Using a Versatile Aerosol Concentration Enrichment System

Abudumutailifu,

Shang,

Wang

et al. 2024

Environ. Sci. Technol.

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Reduced nitrogen-containing organic compounds (NOCs) in aerosols play a crucial role in altering their light-absorption properties, thereby impacting regional haze and climate. Due to the low concentration levels of individual NOCs in the air, the utilization of accurate detection and quantification technologies becomes essential. For the first time, this study investigated the diurnal variation, chemical characteristics, and potential formation pathways of NOCs in urban ambient aerosols in Shanghai using a versatile aerosol concentration enrichment system (VACES) coupled with HPLC-Q-TOF-MS. The results showed that NOCs accounted over 60% of identified components of urban organic aerosols, with O/N < 3 compounds being the major contributors (>70%). The predominance of the positive ionization mode suggested the prevalence of reduced NOCs. Higher relative intensities and number fractions of NOCs were observed during nighttime, while CHO compounds showed an opposite trend. Notably, a positive correlation between the intensity of NOCs and ammonium during the nighttime was observed, suggesting that the reaction of ammonium to form imines may be a potential pathway for the formation of reduced NOCs during the nighttime. Seven prevalent types of reduced NOCs in autumn and winter were identified and characterized by an enrichment of CH2 long-chain homologues. These NOCs included alkyl, cyclic, and aromatic amides in CHON compounds, as well as heterocyclic or cyclic amines and aniline homologue series in CHN compounds, which were associated with anthropogenic activities and may be capable of forming light-absorbing chromophores or posing harm to human health. The findings highlight the significant contributions of both primary emissions and ammonium chemistry, particularly amination processes, to the pollution of reduced NOCs in Shanghai’s atmosphere.

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Section: Chon Compoundssupporting

confidence: 46%

Section: Resultsmentioning

confidence: 61%

Unveiling the Molecular Characteristics, Origins, and Formation Mechanism of Reduced Nitrogen Organic Compounds in the Urban Atmosphere of Shanghai Using a Versatile Aerosol Concentration Enrichment System

Abudumutailifu,

Shang,

Wang

et al. 2024

Environ. Sci. Technol.

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Modification of an atmospheric pressure photoionization source for online analysis of exhaled breath coupled with quadrupole time-of-flight mass spectrometry

et al. 2020

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A literature survey of all volatiles from healthy human breath and bodily fluids: the human volatilome

et al. 2021

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This paper comprises an updated version of the 2014 review which reported 1846 volatile organic compounds (VOCs) identified from healthy humans. In total over 900 additional VOCs have been reported since the 2014 review and the VOCs from semen have been added. The numbers of VOCs found in breath and the other bodily fluids are: blood 379, breath 1488, faeces 443, milk 290, saliva 549, semen 196, skin 623 and urine 444. Compounds were assigned CAS registry numbers and named according to a common convention where possible. The compounds have been included in a single table with the source reference(s) for each VOC, an update on our 2014 paper. VOCs have also been grouped into tables according to their chemical class or functionality to permit easy comparison. Careful use of the database is needed, as a number of the identified VOCs only have level 2—putative assignment, and only a small fraction of the reported VOCs have been validated by standards. Some clear differences are observed, for instance, a lack of esters in urine with a high number in faeces and breath. However, the lack of compounds from matrices such a semen and milk compared to breath for example could be due to the techniques used or reflect the intensity of effort e.g. there are few publications on VOCs from milk and semen compared to a large number for breath. The large number of volatiles reported from skin is partly due to the methodologies used, e.g. by collecting skin sebum (with dissolved VOCs and semi VOCs) onto glass beads or cotton pads and then heating to a high temperature to desorb VOCs. All compounds have been included as reported (unless there was a clear discrepancy between name and chemical structure), but there may be some mistaken assignations arising from the original publications, particularly for isomers. It is the authors’ intention that this work will not only be a useful database of VOCs listed in the literature but will stimulate further study of VOCs from healthy individuals; for example more work is required to confirm the identification of these VOCs adhering to the principles outlined in the metabolomics standards initiative. Establishing a list of volatiles emanating from healthy individuals and increased understanding of VOC metabolic pathways is an important step for differentiating between diseases using VOCs.

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Analysis of Nitrogen-containing Compounds in Mouth-exhaled Breath by Electrospray Ionization Quadrupole Time-of-Flight Mass Spectrometry

Cited by 3 publications

References 34 publications

Unveiling the Molecular Characteristics, Origins, and Formation Mechanism of Reduced Nitrogen Organic Compounds in the Urban Atmosphere of Shanghai Using a Versatile Aerosol Concentration Enrichment System

Unveiling the Molecular Characteristics, Origins, and Formation Mechanism of Reduced Nitrogen Organic Compounds in the Urban Atmosphere of Shanghai Using a Versatile Aerosol Concentration Enrichment System

Modification of an atmospheric pressure photoionization source for online analysis of exhaled breath coupled with quadrupole time-of-flight mass spectrometry

A literature survey of all volatiles from healthy human breath and bodily fluids: the human volatilome

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