Determination of organic matter and organic matter to organic carbon ratios by infrared spectroscopy with application to selected sites in the IMPROVE network

Atmospheric Environment

Volumn 86, Issue , 2014, Pages 47-57

  Ruthenburg, Travis C ^a   Perlin, Pesach C ^a   Liu, Victor ^a   McDade, Charles E ^a   Dillner, Ann M ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Carboxylic acid; FTIR; Functional groups; OC; OM; Organic matter

Indexed keywords

AMBIENT CONCENTRATIONS; FTIR; INTERAGENCY MONITORING OF PROTECTED VISUAL ENVIRONMENTS; MINIMUM DETECTION LIMITS; MULTIVARIATE REGRESSION; OC; OM; PARTICULATE ORGANIC MATTERS;

BIOGEOCHEMISTRY; CARBON; CARBOXYLIC ACIDS; FUNCTIONAL GROUPS; INFRARED SPECTROSCOPY; MOLECULES; PARAFFINS; REGRESSION ANALYSIS;

BIOLOGICAL MATERIALS;

ALCOHOL; ALKANE; CARBONYL DERIVATIVE; CARBOXYLIC ACID; HYDROGEN; ORGANIC CARBON; ORGANIC MATTER; OXYGEN;

ABSORPTION; CARBONYL COMPOUND; CARBOXYLIC ACID; FILTER; FTIR SPECTROSCOPY; HYDROGEN; ORGANIC CARBON; OXYGEN; PARTICULATE ORGANIC MATTER;

ARTICLE; CALIBRATION; ENVIRONMENTAL MONITORING; INFRARED SPECTROSCOPY; LIMIT OF DETECTION; PRIORITY JOURNAL;

EID: 84891940199     PISSN: 13522310     EISSN: 18732844     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2013.12.034     Document Type: Article

References (55)

1. Aiken A.C., Decarlo P.F., Kroll J.H., Worsnop D.R., Huffman J.A., Docherty K.S., Ulbrich I.M., Mohr C., Kimmel J.R., Sueper D., Sun Y., Zhang Q., Trimborn A., Northway M., Ziemann P.J., Canagaratna M.R., Onasch T.B., Alfarra M.R., Prevot A.S.H., Dommen J., Duplissy J., Metzger A., Baltensperger U., Jimenez J.L. O/C and OM/OC ratios of primary, secondary, and ambient organic aerosols with high-resolution time-of-flight aerosol mass spectrometry. Environ. Sci. Technol. 2008, 42(12):4478-4485.
2. Allen D.T., Palen E.J., Haimov M.I., Hering S.V., Young J.R. Fourier-transform infrared-spectroscopy of aerosol collected IN a low-pressure impactor (LPI/FTIR) - method development and field calibration. Aerosol Sci. Technol. 1994, 21(4):325-342.
3. Aslan-Sungur G., Evrendilek F., Karakaya N., Gungor K., Kilic S. Integrating ATR-FTIR and data-driven models to predict total soil carbon and nitrogen towards sustainable watershed management. Res. J. Chem. Environ. 2013, 17(6):5-11.
4. Blando J.D., Porcja R.J., Turpin B.J. Issues in the quantitation of functional groups by FTIR spectroscopic analysis of impactor-collected aerosol samples. Aerosol Sci. Technol. 2001, 35(5):899-908.
5. Chow J.C., Watson J.G., Chen L.W.A., Chang M.C.O., Robinson N.F., Trimble D., Kohl S. The IMPROVE_A temperature protocol for thermal/optical carbon analysis: maintaining consistency with a long-term database. J.Air Waste Manag. Assoc. 2007, 57(9):1014-1023.
6. 2.5 organic carbon sampling artifacts in US networks. Atmos. Chem. Phys. 2010, 10(12):5223-5239.
7. Chow J.C., Watson J.G., Pritchett L.C., Pierson W.R., Frazier C.A., Purcell R.G. The DRI thermal optical reflectance carbon analysis system - description, evaluation and applications in United-States air-quality studies. Atmos. Environ. A Gen. Top. 1993, 27(8):1185-1201.
8. Colthup N.B. Introduction to Infrared and Raman Spectroscopy 1990, Academic Press, Boston.
9. Conforti M., Buttafuoco G., Leone A.P., Aucelli P.P.C., Robustelli G., Scarciglia F. Studying the relationship between water-induced soil erosion and soil organic matter using Vis-NIR spectroscopy and geomorphological analysis: a case study in southern Italy. Catena 2013, 110:44-58.
10. Coury C., Dillner A.M. Amethod to quantify organic functional groups and inorganic compounds in ambient aerosols using attenuated total reflectance FTIR spectroscopy and multivariate chemometric techniques. Atmos. Environ. 2008, 42(23):5923-5932.
11. Coury C., Dillner A.M. ATR-FTIR characterization of organic functional groups and inorganic ions in ambient aerosols at a rural site. Atmos. Environ. 2009, 43(4):940-948.
12. Cunningham P.T., Johnson S.A., Yang R.T. Variations in chemistry of airborne particulate material with particle-size and time. Environ. Sci. Technol. 1974, 8(2):131-135.
13. Dagnachew B.S., Meuwissen T.H.E., Adnoy T. Genetic components of milk Fourier-transform infrared spectra used to predict breeding values for milk composition and quality traits in dairy goats. J.Dairy Sci. 2013, 96(9):5933-5942.
14. Dunlea E.J., DeCarlo P.F., Aiken A.C., Kimmel J.R., Peltier R.E., Weber R.J., Tomlinson J., Collins D.R., Shinozuka Y., McNaughton C.S., Howell S.G., Clarke A.D., Emmons L.K., Apel E.C., Pfister G.G., van Donkelaar A., Martin R.V., Millet D.B., Heald C.L., Jimenez J.L. Evolution of Asian aerosols during transpacific transport in INTEX-B. Atmos. Chem. Phys. 2009, 9(19):7257-7287.
15. El-Zanan H.S., Zielinska B., Mazzoleni L.R., Hansen D.A. Analytical determination of the aerosol organic mass-to-organic carbon ratio. J.Air Waste Manag. Assoc. 2009, 59(1):58-69.
16. Fine P.M., Sioutas C., Solomon P.A. Secondary particulate matter in the United States: insights from the particulate matter supersites program and related studies. J.Air Waste Manag. Assoc. 2008, 58(2):234-253.
17. Gilardoni S., Liu S., Takahama S., Russell L.M., Allan J.D., Steinbrecher R., Jimenez J.L., De Carlo P.F., Dunlea E.J., Baumgardner D. Characterization of organic ambient aerosol during MIRAGE 2006 on three platforms. Atmos. Chem. Phys. 2009, 9(15):5417-5432.
18. Hand J.L., Copeland S.A., Day D.E., Dillner A.M., Indresand H., Malm W.C., McDade C.E., Moore C.T., Pitchford M.L., Schichtel B.A., Watson J.G. IMPROVE (Interagency Monitoring of Protected Visual Environments): Spatial and Seasonal Patterns and Temporal Variability of Haze and its Constituents in the United States: Report V 2011.
19. Hand J.L., Schichtel B.A., Pitchford M., Malm W.C., Frank N.H. Seasonal composition of remote and urban fine particulate matter in the United States. J.Geophys. Res. Atmos. 2012, 117.
20. Haywood J., Boucher O. Estimates of the direct and indirect radiative forcing due to tropospheric aerosols: a review. Rev. Geophys. 2000, 38(4):513-543.
21. Indresand H., Dillner A.M. Experimental characterization of sulfur interference in IMPROVE aluminum and silicon XRF data. Atmos. Environ. 2012, 61:140-147.
22. Kleindienst T.E., Jaoui M., Lewandowski M., Offenberg J.H., Lewis C.W., Bhave P.V., Edney E.O. Estimates of the contributions of biogenic and anthropogenic hydrocarbons to secondary organic aerosol at a southeastern US location. Atmos. Environ. 2007, 41(37):8288-8300.
23. Lebot V., Malapa R., Jung M. Use of NIRS for the rapid prediction of total N, minerals, sugars and starch in tropical root and tuber crops. N.Z. J. Crop Hortic. Sci. 2013, 41(3):144-153.
24. Malm W.C., Hand J.L. An examination of the physical and optical properties of aerosols collected in the IMPROVE program. Atmos. Environ. 2007, 41(16):3407-3427.
25. 2.5 gravimetric and speciation measurements and what we can learn from them. J.Air Waste Manag. Assoc. 2011, 61(11):1131-1149.
26. Maria S.F., Russell L.M., Turpin B.J., Porcja R.J. FTIR measurements of functional groups and organic mass in aerosol samples over the Caribbean. Atmos. Environ. 2002, 36(33):5185-5196.
27. Martens H., Naes T. Multivariate Calibration 1989, Wiley, New York.
28. Mohr C., Huffman J.A., Cubison M.J., Aiken A.C., Docherty K.S., Kimmel J.R., Ulbrich I.M., Hannigan M., Jimenez J.L. Characterization of primary organic aerosol emissions from meat cooking, trash burning, and motor vehicles with high-resolution aerosol mass spectrometry and comparison with ambient and chamber observations. Environ. Sci. Technol. 2009, 43(7):2443-2449.
29. Naes T. AUser-friendly Guide to Multivariate Calibration and Classification 2004, NIR Publications, Chichester, UK.
30. Pitchford M., Malm W., Schichtel B., Kumar N., Lowenthal D., Hand J. Revised algorithm for estimating light extinction from IMPROVE particle speciation data. J.Air Waste Manag. Assoc. 2007, 57(11):1326-1336.
31. 2.5: fractionation by polarity, FTIR spectroscopy, and OM/OC ratio for the Pittsburgh aerosol. Aerosol Sci. Technol. 2008, 42(3):233-246.
32. Pope C.A., Dockery D.W. Health effects of fine particulate air pollution: lines that connect. J.Air Waste Manag. Assoc. 2006, 56(6):709-742.
33. Ram M.S., Dowell F.E., Seitz L., Lookhart G. Development of standard procedures for a simple, rapid test to determine wheat color class. Cereal Chem. 2002, 79(2):230-237.
34. 2.5 exposure: results from the RIOPA study. Atmos. Environ. 2007, 41(22):4585-4598.
35. Russell L.M., Bahadur R., Ziemann P.J. Identifying organic aerosol sources by comparing functional group composition in chamber and atmospheric particles. Proc. Natl. Acad. Sci. U. S. A. 2011, 108(9):3516-3521.
36. Russell L.M., Takahama S., Liu S., Hawkins L.N., Covert D.S., Quinn P.K., Bates T.S. Oxygenated fraction and mass of organic aerosol from direct emission and atmospheric processing measured on the R/V Ronald Brown during TEXAQS/GoMACCS 2006. J.Geophys. Res. Atmos. 2009, 114.
37. Setyan A., Zhang Q., Merkel M., Knighton W.B., Sun Y., Song C., Shilling J.E., Onasch T.B., Herndon S.C., Worsnop D.R., Fast J.D., Zaveri R.A., Berg L.K., Wiedensohler A., Flowers B.A., Dubey M.K., Subramanian R. Characterization of submicron particles influenced by mixed biogenic and anthropogenic emissions using high-resolution aerosol mass spectrometry: results from CARES. Atmos. Chem. Phys. 2012, 12(17):8131-8156.
38. Sills D.L., Gossett J.M. Using FTIR to predict saccharification from enzymatic hydrolysis of alkali-pretreated biomasses. Biotechnol. Bioeng. 2012, 109(2):353-362.
39. Simon H., Bhave P.V. Simulating the degree of oxidation in atmospheric organic particles. Environ. Sci. Technol. 2012, 46(1):331-339.
40. Simon H., Bhave P.V., Swall J.L., Frank N.H., Malm W.C. Determining the spatial and seasonal variability in OM/OC ratios across the US using multiple regression. Atmos. Chem. Phys. 2011, 11(6):2933-2949.
41. Sun Y., Zhang Q., Macdonald A.M., Hayden K., Li S.M., Liggio J., Liu P.S.K., Anlauf K.G., Leaitch W.R., Steffen A., Cubison M., Worsnop D.R., van Donkelaar A., Martin R.V. Size-resolved aerosol chemistry on Whistler Mountain, Canada with a high-resolution aerosol mass spectrometer during INTEX-B. Atmos. Chem. Phys. 2009, 9(9):3095-3111.
42. Takahama S., Johnson A., Russell L.M. Quantification of carboxylic and carbonyl functional groups in organic aerosol infrared absorbance spectra. Aerosol Sci. Technol. 2012, 47(3):310-325.
43. Takahama S., Schwartz R.E., Russell L.M., Macdonald A.M., Sharma S., Leaitch W.R. Organic functional groups in aerosol particles from burning and non-burning forest emissions at a high-elevation mountain site. Atmos. Chem. Phys. 2011, 11(13):6367-6386.
44. Takahama S., Johnson A., Russell L.M. Quantification of carboxylic and carbonyl functional groups in organic aerosol infrared absorbance spectra. Aerosol Sci. Technol. 2013, 47(3):310-325.
45. Tremblay L., Alaoui G., Leger M.N. Characterization of aquatic particles by direct FTIR analysis of filters and quantification of elemental and molecular compositions. Environ. Sci. Technol. 2011, 45(22):9671-9679.
46. 2.5 mass concentrations: revisiting common assumptions for estimating organic mass. Aerosol Sci. Technol. 2001, 35(1):602-610.
47. Turpin B.J., Saxena P., Andrews E. Measuring and simulating particulate organics in the atmosphere: problems and prospects. Atmos. Environ. 2000, 34(18):2983-3013.
48. Ward J.H. Hierarchical grouping to optimize an objective function. J. Am. Stat. Assoc. 1963, 58(301):236-244.
49. Watson J.G. Visibility: science and regulation. J. Air Waste Manag. Assoc. 2002, 52(6):628-713.
50. Weber V.S., Araus J.L., Cairns J.E., Sanchez C., Melchinger A.E., Orsini E. Prediction of grain yield using reflectance spectra of canopy and leaves in maize plants grown under different water regimes. Field Crops Res. 2012, 128:82-90.
51. White W.H., Roberts P.T. Nature and origins of visibility-reducing aerosols in Los-Angeles air basin. Atmos. Environ. 1977, 11(9):803-812.
52. Wold S., Sjostrom M., Eriksson L. PLS-regression: a basic tool of chemometrics. Chemom. Intell. Lab. Syst. 2001, 58(2):109-130.
53. Yu H., Kaufman Y.J., Chin M., Feingold G., Remer L.A., Anderson T.L., Balkanski Y., Bellouin N., Boucher O., Christopher S., DeCola P., Kahn R., Koch D., Loeb N., Reddy M.S., Schulz M., Takemura T., Zhou M. Areview of measurement-based assessments of the aerosol direct radiative effect and forcing. Atmos. Chem. Phys. 2006, 6:613-666.
54. Zhang B., Yang X.M., Drury C.F., Zhang X.D. Amid-infrared spectroscopy method to determine the glucosamine, galactosamine, and muramic acid concentrations in soil hydrolysates. Soil Sci. Soc. Am. J. 2013, 77(3):842-849.
55. Zhang Q., Jimenez J.L., Canagaratna M.R., Allan J.D., Coe H., Ulbrich I., Alfarra M.R., Takami A., Middlebrook A.M., Sun Y.L., Dzepina K., Dunlea E., Docherty K., DeCarlo P.F., Salcedo D., Onasch T., Jayne J.T., Miyoshi T., Shimono A., Hatakeyama S., Takegawa N., Kondo Y., Schneider J., Drewnick F., Borrmann S., Weimer S., Demerjian K., Williams P., Bower K., Bahreini R., Cottrell L., Griffin R.J., Rautiainen J., Sun J.Y., Zhang Y.M., Worsnop D.R. Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes. Geophys. Res. Lett. 2007, 34(13):6.