Characterising Particulate Organic Nitrogen at A Savannah-Grassland Region in South Africa

Booyens, Wanda; Zyl, P. G. van; Beukes, Johan P.; Ruiz‐Jiménez, José; Kopperi, Matias; Riekkola, Marja‐Liisa; Vakkari, Ville; Josipovic, Miroslav; Kulmala, Markku; Laakso, Lauri

doi:10.3390/atmos10090492

Cited by 11 publications

(4 citation statements)

References 65 publications

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“…Amides and urea as well as saccharides have been detected in atmospheric aerosols at concentrations much lower than that used in the modeled system. Density profiles and the extent of the molecular alignment are expected to change with solute concentrations. ,, In the cases of a water–acetonitrile , and water–dimethyl sulfoxide the systems displays solute enhancement at the air–water surface for mole fractions up to 0.20 with a surface peak concentration that decreases with increasing solute mole fraction.…”

Section: Conclusion and Implications For Atmospheric Heterogeneous Ch...mentioning

confidence: 90%

“…The different surface behavior of the organic solutes can explain heterogeneous atmospheric phenomena that are inconsistent with known bulk liquid or gas phase chemistry. 15,17,19,169 Amides and urea 170 as well as saccharides 171 have been detected in atmospheric aerosols at concentrations much lower than that used in the modeled system. Density profiles and the extent of the molecular alignment are expected to change with solute concentrations.…”

Section: Conclusion and Implications For Atmospheric Heterogeneous Ch...mentioning

confidence: 98%

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A Molecular Dynamic Study of the Effects of Surface Partitioning on the OH Radical Interactions with Solutes in Multicomponent Aqueous Aerosols

Masaya

Goulay

2023

J. Phys. Chem. A

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The surface−bulk partitioning of small saccharide and amide molecules in aqueous droplets was investigated using molecular dynamics. The air−particle interface was modeled using a 80 Å cubic water box containing a series of organic molecules and surrounded by gaseous OH radicals. The properties of the organic solutes within the interface and the water bulk were examined at a molecular level using density profiles and radial pair distribution functions. Molecules containing only polar functional groups such as urea and glucose are found predominantly in the water bulk, forming an exclusion layer near the water surface. Substitution of a single polar group by an alkyl group in sugars and amides leads to the migration of the molecule toward the interface. Within the first 2 nm from the water surface, surface-active solutes lose their rotational freedom and adopt a preferred orientation with the alkyl group pointing toward the surface. The different packing within the interface leads to different solvation shell structures and enhanced interaction between the organic molecules and absorbed OH radicals. The simulations provide quantitative information about the dimension, composition, and organization of the air−water interface as well as about the nonreactive interaction of the OH radicals with the organic solutes. It suggests that increased concentrations, preferred orientations, and decreased solvation near the air−water surface may lead to differences in reactivities between surface-active and surface-inactive molecules. The results are important to explain how heterogeneous oxidation mechanisms and kinetics within interfaces may differ from those of the bulk.

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Section: Conclusion and Implications For Atmospheric Heterogeneous Ch...mentioning

confidence: 90%

Section: Conclusion and Implications For Atmospheric Heterogeneous Ch...mentioning

confidence: 98%

A Molecular Dynamic Study of the Effects of Surface Partitioning on the OH Radical Interactions with Solutes in Multicomponent Aqueous Aerosols

Masaya

Goulay

2023

J. Phys. Chem. A

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“…A GCxGC system is composed of 2 columns with stationary phase of different polarities connected to each other by a modulator that periodically collects, focuses, and transfers the sample from the first to the second column. This technique has had applications in very diverse fields such as petrochemical, environment, pharmacy, and food [70,71].…”

Section: Two-dimensional Gas Chromatography or Gcxgcmentioning

confidence: 99%

Edible Oil Parameters during Deterioration Processes

Flores

Avendaño

Bravo

et al. 2021

International Journal of Food Science

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With the continuous increase in research on lipids, technologies and the development of chemical-analytical methods associated with the characterization and monitoring of different processes that involve modifications in edible fats are increasing. The beneficial effect of lipids, especially those essential for the health of the population, is widely known. However, degradation compounds are also produced that eventually have negative effects. In this dual context, the monitoring of the changes suffered by nutritional compounds can be obtained thanks to the development of technologies and analytical methods applied to the study of lipids. The modifications that lipids undergo can be followed by a wide variety of methods, ranging from the basic ones associated with simple chemical titrations to the more complex ones associated with sophisticated laboratory equipment. These determinations involve chemical and/or physical quantification of lipids to know an initial condition on the major and minor components. In addition to technologies that allow monitoring during more complex processes such as thermal deterioration, in multiple conditions depending on the objective of the study, this review could benefit a comprehensive understanding of lipid deterioration for future developments and research in the study of fats and oils for human consumption.

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“…To resolve the large number of constituents of highly complex OAs, thermal desorption comprehensive two-dimensional gas chromatography hyphenated with time-of-flight mass spectrometry (TD–GC × GC–TOFMS) has been shown to be useful for chemical fingerprinting of the (semi)volatile organic fraction in PM . As a powerful separation technique, GC × GC–MS has been used in several studies ,− to effectively detect a wide range of compounds found in BBOAs. For the analysis of GC × GC–MS data, one typically differs between targeted and untargeted analysis.…”

Section: Introductionmentioning

confidence: 99%

Chemical Fingerprinting of Biomass Burning Organic Aerosols from Sugar Cane Combustion: Complementary Findings from Field and Laboratory Studies

Hartner,

Gawlitta,

Gröger

et al. 2024

ACS Earth Space Chem.

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Agricultural fires are a major source of biomass-burning organic aerosols (BBOAs) with impacts on health, the environment, and climate. In this study, globally relevant BBOA emissions from the combustion of sugar cane in both field and laboratory experiments were analyzed using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry. The derived chemical fingerprints of fresh emissions were evaluated using targeted and nontargeted evaluation approaches. The open-field sugar cane burning experiments revealed the high chemical complexity of combustion emissions, including compounds derived from the pyrolysis of (hemi)cellulose, lignin, and further biomass, such as pyridine and oxime derivatives, methoxyphenols, and methoxybenzenes, as well as triterpenoids. In comparison, laboratory experiments could only partially model the complexity of real combustion events. Our results showed high variability between the conducted field and laboratory experiments, which we, among others, discuss in terms of differences in combustion conditions, fuel composition, and atmospheric processing. We conclude that both field and laboratory studies have their merits and should be applied complementarily. While field studies under real-world conditions are essential to assess the general impact on air quality, climate, and environment, laboratory studies are better suited to investigate specific emissions of different biomass types under controlled conditions.

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Characterising Particulate Organic Nitrogen at A Savannah-Grassland Region in South Africa

Cited by 11 publications

References 65 publications

A Molecular Dynamic Study of the Effects of Surface Partitioning on the OH Radical Interactions with Solutes in Multicomponent Aqueous Aerosols

A Molecular Dynamic Study of the Effects of Surface Partitioning on the OH Radical Interactions with Solutes in Multicomponent Aqueous Aerosols

Edible Oil Parameters during Deterioration Processes

Chemical Fingerprinting of Biomass Burning Organic Aerosols from Sugar Cane Combustion: Complementary Findings from Field and Laboratory Studies

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