Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra

Takahama, Satoshi; Johnson, Anita; Russell, Lynn M.

doi:10.1080/02786826.2012.752065

Cited by 103 publications

(176 citation statements)

References 87 publications

(121 reference statements)

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“…OM is calculated as the sum of all functional groups measured above detection, based on the assumptions of Russell (2003). Subsequent evaluations and intercomparisons (Takahama et al, 2013;Russell et al, 2009;Maria et al, 2002) have shown that errors associated with functional groups that are not quantified because of Teflon interference and semivolatile properties are accounted for within the stated ±20 % uncertainty for ambient particle compositions. The ammonium mass is not quantified by FTIR of Teflon filter samples because ammonium nitrate is semivolatile.…”

Section: Methodsmentioning

confidence: 99%

“…A Bruker Tensor 27 FTIR spectrometer with a deuterated triglycine sulfate (DTGS) detector (Bruker, Waltham, MA) was used to scan the filters both before and after sampling. An automated algorithm was applied to quantify the mass of the organic functional groups (Takahama et al, 2013;Russell et al, 2009). Four groups (alkane, amine, hydroxyl, and carboxylic acid) were quantified by the area of absorption peaks and the sum of the mass of the five functional groups.…”

Section: Methodsmentioning

confidence: 99%

“…Pure (> 99 %) uric acid (Sigma-Aldrich) and urea (Fisher Scientific) were dissolved in water, atomized, and collected on triplicate Teflon filters to provide FTIR reference spectra for comparison of the amide group region. FTIR spectra were baselined by subtracting a combination of piecewise linear and polynomial regressions from the spectrum using an automated algorithm (Takahama et al, 2013).…”

Section: Methodsmentioning

confidence: 99%

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High summertime aerosol organic functional group concentrations from marine and seabird sources at Ross Island, Antarctica, during AWARE

et al. 2018

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Abstract. Observations of the organic components of the natural aerosol are scarce in Antarctica, which limits our understanding of natural aerosols and their connection to seasonal and spatial patterns of cloud albedo in the region. From November 2015 to December 2016, the ARM West Antarctic Radiation Experiment (AWARE) measured submicron aerosol properties near McMurdo Station at the southern tip of Ross Island. Submicron organic mass (OM), particle number, and cloud condensation nuclei concentrations were higher in summer than other seasons. The measurements included a range of compositions and concentrations that likely reflected both local anthropogenic emissions and natural background sources. We isolated the natural organic components by separating a natural factor and a local combustion factor. The natural OM was 150 times higher in summer than in winter. The local anthropogenic emissions were not hygroscopic and had little contribution to the CCN concentrations. Natural sources that included marine sea spray and seabird emissions contributed 56 % OM in summer but only 3 % in winter. The natural OM had high hydroxyl group fraction (55 %), 6 % alkane, and 6 % amine group mass, consistent with marine organic composition. In addition, the Fourier transform infrared (FTIR) spectra showed the natural sources of organic aerosol were characterized by amide group absorption, which may be from seabird populations. Carboxylic acid group contributions were high in summer and associated with natural sources, likely forming by secondary reactions.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

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High summertime aerosol organic functional group concentrations from marine and seabird sources at Ross Island, Antarctica, during AWARE

et al. 2018

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“…The method of Russell et al [21] has been applied to determination of the mass concentrations of organic functional groups in ambient aerosol samples [22] [23]. Takahama et al [24] evaluated the algorithm of Russell et al [21] for characterization and quantification of carbonyl and hydroxyl bonds in carboxylic COOH functional groups, carbonyl C=O (aldehydes and ketones) functional groups and alcohol COH functional groups separately. Their study enhanced the accuracy and consistency of FTIR spectra interpretation among different users and thus promoted applications of FTIR to analyzing complex aerosol samples, especially multifunctional compounds and mixtures.…”

Section: G Cao Et Al Spectral Analysis Reviewsmentioning

confidence: 99%

“…A comprehensive interpretation of FTIR spectra has been tabulated in Aliphatic carboxylic acids (OH) and Amino acids/Amines (OH) [12] 3500 -2500 Carbohydrates (C-OH) [12] 3500 -3100 Organic hydroxyl (C-OH) [19] 3440 -3400 Hydroxyl (-OH) [30] 3400 -2500 Carboxylic acid (OH) [45] 3400-2400 Carboxylic acid (OH stretch) [24] [ 44] 3400, 1440 -1220, 1260 -1000 Alcohol and phenol [44] 3400, 1625 Amine (NH 2 ) [19] [20] 3400 OH stretching of phenol hydroxyl and carboxyl [5] 3382 -3323 Alcohol (OH) [45] 3380 H-bonding of hydroxyl [46] 3350, 1350, 650 ± 50 Alcohols/Phenols (OH) [12] 3350 -3205 Alcohol COH [24] 3350, 3180 Primary amide N-H stretch [44] 3300 -3150 Alcohol groups [33] 3300 -2900 C-H stretching in alkane, alkene, alkyne, aromatic [44] 3300 Secondary amide N-H stretch [44] 3300 Hydrogen bonded [8] 3200 -3000, 1290 -1000 Aromatic carbon (Arom-H) [38] G. 3200 -3000 Aromatic carbons (Arom-H) [36] 3130 -3030, 900 -670 Aromatic (C=C-H) [48] 3100 -3070 Carboxylic acid (COOH) [30] 3100 -3000 Aromatic (C-H) [42] 3100 -2900 Unsaturated aliphatic (C=C-H) [17] [19] [20] 3100 -3000 Alkene (C-H) [38] 3100 -3000 Aromatic (C=C-H) [17] [19] [20] 3100 -3000 Unsaturated aliphatic (C=C-H) [48] 3100 -3000 Unsaturated and aromatic (C-H) [12] 3100 H-bonding of organic acid [46] 3100 -2900 Alkane groups [33] 3090 -3075, 3050 -3000, 990 -815 Aliphatic Hydrocarbons (C-H) [12] 3050 Aromatic (C-H) [24] [ …”

Section: Ftir Spectral Interpretations For Characteristic Groups In Omentioning

confidence: 99%

Applications of Infrared Spectroscopy in Analysis of Organic Aerosols

Cao¹,

Yan²,

Zou³

et al. 2018

SAR

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This paper reviews the studies of using FTIR to investigate the components of aerosols produced in smog chamber experiments and collected in atmosphere. The fact that aerosols are mixture of small amount of countless individual compounds makes the analysis of aerosol constituents very challenging. Although a number of advanced instruments have been applied to the chemical characterization of aerosol components, the majority of aerosol components, particularly the organics, remain unknown. Being supplemental to the traditional quantitative instruments, FTIR has been recently used either individually or combining with other analytical instruments to characterize the components of aerosol particles. This paper aims to show how FTIR is applied to analysis of organic aerosols in current literature and to summarize the FTIR characteristic peak frequencies that are widely seen in the FTIR measurement of organic aerosols. It will be greatly helpful to researchers whose studies are focused on the analysis of aerosol components.

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Sources and composition of submicron organic mass in marine aerosol particles

et al. 2014

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The sources and composition of atmospheric marine aerosol particles (aMA) have been investigated with a range of physical and chemical measurements from open-ocean research cruises. This study uses the characteristic functional group composition (from Fourier transform infrared spectroscopy) of aMA from five ocean regions to show the following: (i) The organic functional group composition of aMA that can be identified as mainly atmospheric primary marine (ocean derived) aerosol particles (aPMA) is 65 ± 12% hydroxyl, 21 ± 9% alkane, 6 ± 6% amine, and 7 ± 8% carboxylic acid functional groups. Contributions from photochemical reactions add carboxylic acid groups (15%-25%), shipping effluent in seawater and ship emissions add additional alkane groups (up to 70%), and coastal or continental emissions mix in alkane and carboxylic acid groups. (ii) The organic composition of aPMA is nearly identical to model-generated primary marine aerosol particles from bubbled seawater (gPMA, which has 55 ± 14% hydroxyl, 32 ± 14% alkane, and 13 ± 3% amine functional groups), indicating that its overall functional group composition is the direct consequence of the organic constituents of the seawater source. (iii) While the seawater organic functional group composition was nearly invariant across all three ocean regions studied and the ratio of organic carbon to sodium (OC/Na + ) in the gPMA remained nearly constant over a broad range of chlorophyll a concentrations, the gPMA alkane group fraction appeared to increase with chlorophyll a concentrations (r = 0.66). gPMA from productive seawater had a larger fraction of alkane functional groups (42 ± 9%) compared to gPMA from nonproductive seawater (22 ± 10%), perhaps due to the presence of surfactants in productive seawater that stabilize the bubble film and lead to preferential drainage of the more soluble (lower alkane group fraction) organic components. gPMA has a hydroxyl group absorption peak location characteristic of monosaccharides and disaccharides, where the seawater organic mass hydroxyl group peak location is closer to that of polysaccharides. This may result from the larger saccharides preferentially remaining in the seawater during gPMA and aPMA production.

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Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra

Cited by 103 publications

References 87 publications

High summertime aerosol organic functional group concentrations from marine and seabird sources at Ross Island, Antarctica, during AWARE

High summertime aerosol organic functional group concentrations from marine and seabird sources at Ross Island, Antarctica, during AWARE

Applications of Infrared Spectroscopy in Analysis of Organic Aerosols

Sources and composition of submicron organic mass in marine aerosol particles

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