1)              Liaghati Mobarhan Y., Fortier-McGill B., Soong R., Maas W.E., Fey M., Monette M., Stronks H.J., Schmidt S., Heumann H., Norwood W.  and Simpson A.J. “Comprehensive Multiphase NMR Applied to a Living Organism” Chemical Science, Accepted, 2016. (Impact Factor 9.2). Picked up as a story in Chemistry World.

2)              Bliumkin, L.; Dutta Majumdar, R.; Soong, R.; Adamo, A.; Abbatt, J.P.D.; Zhao, R.;Reiner, E.; Simpson. A.J. The Development of an in-situ NMR Photoreactor to Study Environmental Photochemistry. Environmental Science & Technology. In Press. May 2016.

3)              Mitchell, P. M., A. J. Simpson, R. Soong, and M. J. Simpson.  Biochar amendment alters the molecular-level composition of native soil organic matter in a temperate forest soil. Environmental Chemistry (accepted).

4)              Simpson, M. J., and A. J. Simpson. NMR of soil organic matter.  2016. Encyclopedia of Spectroscopy and Spectrometry, 3rd edition.  John C. Lindon (ed).  Elsevier (in press; Invited contribution).

5)              Kovacevic, V., A. J. Simpson and M. J. Simpson. 2016. 1H NMR-based metabolomics of Daphnia magna responses after sub-lethal exposure to triclosan, carbamazepine and ibuprofen.  Comparative Biochemistry and Physiology Part D: Genomics and Proteomics (in press; Invited contribution).

6)              Pisani, O., L. H. Lin, O. Y. Lun, K. Lajtha, K. J. Nadelhoffer, A. J. Simpson, and M. J. Simpson.  2016. Long-term doubling of litter inputs accelerates soil organic matter degradation and reduces soil carbon stocks.  Biogeochemistry 127:1-14.

7)              Akhter, M., Dutta Majumdar R., Fortier-McGill B., Soong R., Liaghati Mobarhan Y.,  Simpson M.J., Arhonditsis G.,  Schmidt S., Heumann H., and Simpson A.J., “Identification of Aquatically Available Carbon from Algae through Solution-State NMR of Whole 13C-labelled Cells”, Analytical and Bioanalytical Chemistry, In Press, 2016.

8)              Masoom H., Courtier-Murias D., Farooq H., Soong R., Kelleher B.P., Zhang C., Maas W.E., Fey M., Hutchins H., Krishnamurthy S., Kumar R., Monette M., Stronks H. J., Simpson M. J., and Simpson A.J., “Soil organic matter: unravelling the most complex biomaterial on Earth” Environmental Science and Technology, 2016, 2016, 50 (4), pp 1670–1680.

9)              Masoom H., Courtier-Murias D., Farooq H., Soong R., Maas W.E., Fey M., Kumar R., Monette M., Stronks H. J., Simpson M. J. and Simpson A.J., “From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR” Environmental Science and Technology, 2016, 49 (24), 13983-13991.

10)          Nagato EG, Simpson AJ, Simpson MJ, “Metabolomics reveals energetic impairments in Daphnia magna exposed to diazinon, malathion and bisphenol-A” 2016, Aquatic Toxicology 170, 175-186.

11)          Kovacevic, V., Simpson, A.J., Simpson, M.J, “1H NMR-based metabolomics of Daphnia magna responses after sub-lethal exposure to triclosan, carbamazepine and ibuprofen” Comparative Biochemistry and Physiology - Part D: Genomics and Proteomics, 2015, In Press.

12)          Santos A.C., Bliumkin L. Masoom H., Soong R., Barison A., and Simpson A.J. “Spectral Background from Commercially Available D2O: An important consideration for Trace Analysis using Cryoprobes”, Magnetic Resonance in Chemistry, 2016, In Press.

13)          Silva LMA, Elenilson Filho GA, Simpson AJ, Monteiro MR, Venâncio T, “Comprehensive multiphase NMR spectroscopy: A new analytical method to study the effect of biodiesel blends on the structure of commercial rubbers” Fuel, 2016, 166, 436-445.

14)          Masoom H., Adamo A. and Simpson A.J., “From the Environment to the NMR: Water suppression for Whole Samples in their Native State” Environmental Chemistry, 2016, In Press.

15)          Longstaffe J.G., Courtier-Murias D., Simpson A.J., A nuclear magnetic resonance study of the dynamics of organofluorine interactions with a dissolved humic acid”, Chemosphere, 2016, 145, 307-313.

16)          Simpson A. – “NMR Spectroscopy in Environmental Research” Magnetic Resonance in ChemistryEditor of Special Issue (Invited) including 20+ papers all aspects of environmental research. 2015. (I am the editor of the issue, this is to my knowledge the first time an NMR-based journal has dedicated a special issue to environmental issues).

17)          Simpson A. “Environmental NMR” Magnetic Resonance in Chemistry, 2015 53 (9), 633-634.

18)          L. H. Perruchoud, M. D. Jones, A. Sutrisno, D. B. Zamble, A. J. Simpson, and X. Zhang, Ratiometric NMR pH Sensing Strategy Based on Slow-Proton-Exchange (SPE) Mechanism, Chemical Science, 2015, 6, 6305-6311. (Impact Factor 9.2)

19)          Goldberg, S.J., Ball, G.I., Allen, B.C., Schladow, S.G., Simpson, A.J., Masoom, H., Soong, R., Graven, H.D., Aluwihare, L.I., Refractory dissolved organic nitrogen accumulation in high-elevation lakes, Nature Communications, 2015, 6, 1-9. (Impact Factor 11.5)

20)          Lankadurai, B. P., E. Nagato, A. J. Simpson and M. J. Simpson.  “Analysis of Eisenia fetida earthworm responses to sub-lethal C60 nanoparticle exposure using 1H-NMR based metabolomics”  Ecotoxicology and Environmental Safety, 2015, 120, 48-58.

21)          Marshall, M.H.M., McKelvie, J.R., Simpson, A.J., Simpson, M.J., Characterization of natural organic matter in bentonite clays for potential use in deep geological repositories for used nuclear fuel, Applied Geochemistry, 54, , 2015, 43-53.

22)          Mitchell, P.J., Simpson, A.J., Soong, R., Simpson, M.J.  Shifts in microbial community and water-extractable organic matter composition with biochar amendment in a temperate forest soil, Soil Biology and Biochemistry, Volume 81, 2015, 244-254.

23)          Simpson A.J., Liaghati Y., Fortier-McGill B., Soong R., Akhter M., In-vivo NMR - A potentially powerful tool for Environmental Research,  Magnetic Resonance in Chemistry, 2015, 53: 686–690.

24)          Soong R., Nagoto E., Sutrisno A., Fortier-McGill B., Akhter M. A., Simpson, A.J. “In vivo NMR spectroscopy- Towards real time monitoring of environmental stress” Magnetic Resonance in Chemistry, 2015, 53: 774–779.

25)          Marshall MHM, McKelvie JR, Simpson AJ and Simpson MJ “Characterization of natural organic matter in bentonite clays for potential use in deep geological repositories for used nuclear fuel”, 2015, Applied Geochemistry, 54, 43-53.

26)          Pisani, O., S. D. Frey, A. J. Simpson and M. J. Simpson. 2015. Soil warming and nitrogen deposition alter soil organic matter composition at the molecular-level.  Biogeochemistry 123:391–409.

27)          Wagner, N.D., Lankadurai, B.P., Simpson, M.J., Simpson, A.J., Frost, P.C., Metabolomic differentiation of nutritional stress in an aquatic invertebrate, Physiological and Biochemical Zoology, 88, 1, 2015, 43-52.

28)          Nagato E. G., Lankadurai B. P., Soong R., Simpson A. J., and Simpson M. J. 2015. Development of an NMR microprobe procedure for high-throughput environmental metabolomics of Daphnia magna.  Magnetic Resonance in Chemistry, 2015, 53, 745-753.

29)          Alves Filho, E.G., Sartori L., Silva L. M. A., Silva B.F., Fadini P.S., Soong R., Simpson A.J., and Ferreira A. G.  “Non-targeted analyses of organic compounds in urban wastewater” Magnetic Resonance in Chemistry, 2015, 53, 704-710.

30)          Fugariu I., Fortier-McGill B., Soong R., Sutrisno A., Simpson, A.J. “Doubling sensitivity in solids NMR: a simple and economical procedure for compressing samples” Magnetic Resonance in Chemistry, 2015, 53, 9, 769-773.

31)          Wheeler H.L., Soong R. Courtier-Murias D,  Botana A., Fortier-McGill B., Maas W.E., Fey M., Hutchins H., Krishnamurthy, S., Kumar R., Monette M., Stronks H.J., Campbell, M.M. Simpson, A.J. Comprehensive Multiphase NMR: A promising technology to study plants in their native state” Magnetic Resonance in Chemistry, 53, 9, 735-744.

32)          Farooq, H., Courtier-Murias, D., Simpson, M. J., Simpson, Maas, W.E., Fey, M., Andrew, B., Struppe, J., Hutchins, H., Krishnamurthy, S., Kumar, R., Monette, M., Stronks, H.J., Simpson A. J., Characterization of Oil Contaminated Soils by Comprehensive Multiphase NMR. Environmental Chemistry, Volume 12, Issue 2, 2015, Pages 227-235.

33)          Simpson A.J., Mitchell P.J., Masoom H., Liaghati Y., Adamo A., Dicks A.P., An Oil Spill in a Tube: An Accessible Approach for Teaching Environmental NMR Spectroscopy, Journal of Chemical Education, 2015 (92), pp 693-697.

34)          Pisani, O., K. M. Hills, D. Courtier-Murias, R. Conant, M. Haddix, E. A. Paul, A. J. Simpson, G. B. Arhonditsis, and M. J. Simpson. Accumulation of aliphatic compounds in soil with increasing mean annual temperature.  Organic Geochemistry, 76, 2014, 118-127.


35)          O'Reilly S.,  Szpak  M.T., Flanagana P.V., Monteys X., Murphy B.T., Jordana S.F., Allen C.R. , Simpson A.J., Mulligana S.M., Sandrona S., Kelleher B.P., Biomarkers reveal the effects of hydrography on the sources and fate of marine and terrestrial organic matter in the western Irish Sea, Estuarine, Coastal and Shelf Science, 2014, 136, 157-171.


36)          Cottrell B.A., Gonsior M., Timko S. A., Simpson A.J., Wytze van der Veer, Cooper W.J. Photochemistry of marine and fresh waters: a role for copper-dissolved organic matter ligands. Marine Chem. 162, 2014, 77-88.


37)          Genest, S. C., M. J. Simpson, A. J. Simpson, R. Soong, and D. J. McNally.  Analysis of soil organic matter at the solid-water interface by nuclear magnetic resonance spectroscopy.  Environmental Chemistry, 11, 4, 2014, 472-482.


38)          Courtier-Murias, D., Farooq, H., Longstaffe, J.G., Hart, K.M., Kelleher, B.P., Simpson, M.J., and Simpson, A.J. "Cross Polarization – Single Pulse/Magic Angle Spinning (CPSP/MAS): A Robust Technique for Routine Soil Analysis by Solid-State NMR", Geoderma, 2014, 1, 405-414.


39)          Lam L., Soong R., Sutrisno A., de Visser R., Simpson M.J., Wheeler H.L., Campbell M., Maas W.E., Fey M., Gorissen A., Hutchins H., Andrew B., Struppe J., Krishnamurthy S., Kumar R., Monette M., Stronks H.J., Hume A., Simpson A.J. Comprehensive Multiphase NMR Spectroscopy of Intact 13C-Labeled Seeds. J. Agric. Food Chem. 2014, 62, 107−115. First analysis of all components in seeds in their native state by NMR in a plant/seed.


40)          Farooq H., Courtier-Murias D., Soong R., Bermel W., Kingery W.M. and Simpson A. J., HR-MAS NMR Spectroscopy: A Practical Guide for Natural Samples, Current Organic Chemistry, 2013, 17, 24, 2013, pp. 3013-3031.


41)          Lankadurai, B. P., V. I. Furdui, E. J. Reiner, A. J. Simpson, and M. J. Simpson. 1H NMR-based metabolomic analysis of sub-lethal perfluorooctane sulfonate exposure to the earthworm, Eisenia fetida, in soil.  Metabolites 2013, 3, 718-740.


42)          Cottrell, B.A., Gonsior, M., Isabelle, L.M., Luo, W., Perraud, V., McIntire, T.M., Pankow, J.F., Schmitt-Kopplin, P., Cooper, W.J., Simpson, A.J. A Regional Study of the Seasonal Variation in the Molecular Composition of Rainwater, Atmospheric Environment, 2013, 77, 588-597.


43)          Pisani, O., K. M. Hills, D. Courtier-Murias, A. J. Simpson, N. J. Mellor, E. A. Paul, S. J. Morris and M. J. Simpson.  Molecular-level analysis of long-term vegetative shifts and relationships to soil organic matter composition.  Organic Geochemistry, 2013, 62, 7-16.

44)          Whitfield Aslund, M., Stephenson G., Simpson A. J. and Simpson M. J..  Comparison of earthworm responses to petroleum hydrocarbon exposure in aged field contaminated soil using traditional ecotoxicity endpoints and 1H NMR-based metabolomics.  Environmental Pollution, 2013, 182, 263-268.

45)          Cottrell B.A., Timko S.A., Devera L., Robinson, A.K., Gonsior M., Vizenor, A.E., Simpson, A.J., Cooper W.J.,  Photochemistry of Excited-State species in Natural Waters: a Role for Re-dissolved Particulate Organic Matter.  Water Research 2013, 47,14, 5189-5199.

46)          Mitchell, P. J., A. J. Simpson, R. Soong, A. Oren, B. Chefetz, and M. J. Simpson.  Solution-state NMR investigation of dissolved organic matter sorptive fractionation by mineral soils.  Environmental Chemistry, 2013, 10, 4, 333-340.

47)          Nagato, E. G., J. C. D’eon, B. P. Lankadurai, D. G. Poirier, E. J. Reiner, A. J. Simpson, and M. J. Simpson. 1H NMR-based metabolomics investigation of daphnia magna responses to sub-lethal exposure to arsenic, copper and lithium.  Chemosphere, 2013, 93, 2, 331-337.

48)          Pautler, B.G., Sanborn P.T., Simpson A.J., Simpson M.J., Molecular characterization of organic matter in canadian arctic paleosols for paleoecological applications, Organic Geochemistry, 2013, 63, 122-138.

49)          Zhao, R., Lee, A. K. Y., Soong, R., Simpson, A. J., and Abbatt, J. P. D.: Formation of aqueous-phase α-hydroxyhydroperoxides (α-HHP): potential atmospheric impacts, Atmospheric Chemistry and Physics, 2013, 13, 5857-5872,  2013.

50)          Hart, K., Kulakova, A., Allen, C,, Simpson, A., Oppenheimer, S., Masoom, H., Courtier-Murias, D, Soong, R., Kulakov, L., Murphy, B., Kelleher, B., Tracking the fate of microbially sequestered carbon dioxide in soil organic matter. Environmental Science & Technology, 2013, 47, 10, 5128-5137.

51)          Farooq, H., Courtier-Murias, D., Soong, R., Masoom, H., Maas, W., Fey, M., Kumar, R., Monette, M., Stronks, H., Simpson, M.J., Simpson, A.J.   Rapid parameter optimization of low signal-to-noise samples in NMR spectroscopy using rapid CPMG pulsing during acquisition: Application to recycle delays, Magnetic Resonance in Chemistry, 2013, 51, 129-135.


52)           Courtier-Murias, D., Simpson, A.J., Marzadori, C., Baldoni, B., Ciavatta, C., Fernández, J.M., López-de-Sá, E.G., and Plaza, C. Unraveling the long-term stabilization mechanisms of organic materials in soils by physical fractionation and NMR spectroscopy Agriculture, Ecosystems & Environment. 2013, 171, 9-18.


53)          Pautler, B.G., Dubnick, A., Sharp, M.J., Simpson, A.J., Simpson, M.J.    Comparison of cryoconite organic matter composition from Arctic and Antarctic glaciers at the molecular-level, Geochimica et Cosmochimica Acta, 2013, 104, 1-18.


54)          Cottrell, B.A., Cheng, W.R., Lam, B., Cooper, W.J., Simpson, A.J.  An enhanced capillary electrophoresis method for characterizing natural organic matter, The Analyst, 2013, 138, 1174-1179.


55)          Masoom, H., Courtier-Murias, D., Farooq, H., Soong, R., Simpson, M.J., Maas, W., Kumar, R., Monette, M., Stronks, H., Simpson, A.J.    Rapid estimation of nuclear magnetic resonance experiment time in low-concentration environmental samples, Environmental Toxicology and Chemistry, 2013, 32, 1, 129-136.


56)          McKelvie, J.R., Åslund, M.W., Celejewski, M.A., Simpson, A.J., Simpson, M.J.    Reduction in the earthworm metabolomic response after phenanthrene exposure in soils with high soil organic carbon content, Environmental Pollution, 175, 2013, 75-81.


57)          Plaza C., Courtier-Murias D., Fernández, J. M., Polo, A. and Simpson, A. J.  “Physical, chemical, and biochemical mechanisms of soil organic matter stabilization under conservation tillage systems: a central role for microbes and microbial by-products in C sequestration” Soil Biology and Biochemistry, 2013, 57, 124-134.


58)          Lankadurai B.P., Wolfe D.M., Whitfield Åslund M.L., Simpson A.J., Simpson M.J.  1H NMR-based metabolomic analysis of polar and non-polar earthworm metabolites after sub-lethal exposure to phenanthrene” Metabolomics,  2013, 9, 44-56.


59)          Hart, K.M, Oppenheimer, S.F, Moran, B.W, Allen, C.C.R, Kouloumbos, V, Simpson, A.J, Kulakov, L.A, Barron, L, Kelleher, B.P.  CO2 uptake by a soil microcosm, Soil Biology and Biochemistry, 2013, 57, 615-624.


60)          Yuk, J., Simpson, M.J., Simpson, A.J. 1-D and 2-D NMR-based metabolomics of earthworms exposed to endosulfan and endosulfan sulfate in soil, Environmental Pollution, 2013,175, 35-44.


61)          Clemente, J.S., Simpson, M.J. , Simpson, A.J., Yanni, S.F., Whalen, J.K., Comparison of soil organic matter composition after incubation with maize leaves, roots, and stems, Geoderma, 2013, 192, 86-96.


62)          Longstaffe G.J., Courtier-Murias D., and Simpson A.J. “The pH-Dependence of Organofluorine Binding Domain Preference in Dissolved Humic Acid” Chemosphere, 2013, 90, 270-275.


63)          Farooq H., Soong, R., Courtier-Murias, D., Anklin, C.,  Simpson, A. J., Tailoring 1H spin dynamics in small molecules via supercooled water – A promising approach for metabolite validation and identification, Analytical Chemistry, 2012, 15, 6759-6766.


64)          Simpson A.J., Simpson M.J., Soong R. Nuclear Magnetic Resonance Spectroscopy and its Key Role in Environmental Research,  Environmental Science and Technology, 2012, 46, 21, 11488-11496. Invited Feature


65)          Longstaffe J.G., Courtier-Murias D., Soong R., Simpson M.J., Maas W. E., Fey M., Hutchins H., Krishnamurthy S., Struppe J., Mehran A., Kumar R., Monette M., Stronks H. J., and Simpson A. J. In-Situ Molecular-Level Elucidation of Organofluorine Binding Sites in a Whole Peat Soil, Environmental Science and Technology, 2012, 46, 10508-10513.


66)          Yuk J., Simpson M. J, Simpson A. J. “Coelomic fluid: A complimentary biological medium to assess sub-lethal endosulfan exposure using 1H NMR-based earthworm metabolomics”, Ecotoxicology, 2012, 21, 5, 1301-1313.


67)          Lankadurai, B.P., Simpson, A.J., Simpson, M.J.    1H NMR metabolomics of Eisenia Fetida responses after sub-lethal exposure to Perfluorooctanoic acid and Perfluorooctane Sulfonate, Environmental Chemistry, 2012, 9, 502-511.


68)          Whitfield Åslund M.L., Simpson M.J., Simpson A.J. Zeeb B.A., Rutter A.  “Earthworm metabolomic responses after exposure to aged PCB contaminated soils.” Ecotoxicology, 21, 2012, 1947-1956.


69)          Simpson M. J., and Simpson A. J., “The Chemical Ecology of Soil Organic Matter Molecular Constituents”, Journal of Chemical Ecology,  38, 6, 2012, 768-784.


70)          Pautler B.G., Woods G.C., Dubnick A., Simpson A.J., Sharp M.J., Fitzsimons, S.J., Simpson, M.J. “Molecular characterization of dissolved organic matter in glacial ice: Coupling natural abundance 1H NMR and fluorescence spectroscopy” Environmental Science and Technology, 46, 7, 2012, 3753-3761.


71)          Woods G.C., Simpson M.J., Simpson A.J. “Oxidized sterols as a significant component of dissolved organic matter: Evidence from 2D HPLC in combination with 2D and 3D NMR spectroscopy”, Water Research, 2012, 46, 3398-3408.


72)          Courtier-Murias D., Farooq H., Masoom H., Botana A., Soong R., Longstaffe J.G., Simpson M.J., Maas W.E., Fey M., Andrew B., Struppe, J. Hutchins, H., Krishnamurthy S., Kumar R., Monette, M., Stronks H.J., Hume A., Simpson A.J. “Comprehensive multiphase NMR spectroscopy: Basic experimental approaches to differentiate phases in heterogeneous samples” Journal of Magnetic Resonance, 217, 2012, 61-76. Became the 2nd most downloaded paper of 2012 in the journal.


73)          Clemente J.S., Gregorich E.G., Simpson A.J., Kumar R., Courtier-Murias D., Simpson M.J. “Comparison of nuclear magnetic resonance methods for the analysis of organic matter composition from soil density and particle fractions”, Environmental Chemistry, 9, 1, 2012, 97-107.


74)          Whitfield Åslund M.L., McShane H., Simpson M.J., Simpson A.J., Whalen J.K., Hendershot W.H., Sunahara G.I.  “Earthworm sublethal responses to titanium dioxide nanomaterial in soil detected by 1H NMR metabolomics” Environmental Science and Technology, 46, 2012, Pages 1111-1118.


75)          Szpak M. T., Monteys X., O’Reilly S., Simpson A. J., Garcia X., Evans R. L., Allen C. C. R., McNally D. J., Courtier-Murias D., Kelleher B. P., Geophysical and geochemical survey of a large marine pockmark on the Malin Shelf, Ireland. Geochemistry, Geophysics, Geosystems (G3), Volume 13, Issue 1, 2012, 1011-1014.


76)          McKelvie J.R, Wolfe D., Celejewski M., Alaee M., Simpson A.J., and Simpson M.J. Metabolic responses of Eisenia fetida after sub-lethal exposure to organic contaminants with different toxic modes of action.  Environmental Pollution, 2011, 159, 12, 3620-3626.


77)          Simpson A.J., McNally D., Simpson M. J., “NMR Spectroscopy in Environmental Science : From molecular-level interactions to global processes”. Invited by Progress in Nuclear Magnetic Resonance Spectroscopy, 2011, 58, 97-175. Progress in Magnetic Resonance in the top journal in NMR/MRI (all fields). This article became the most downloaded paper in the journal and remained the most downloaded article through (2010-2012) and was second most downloaded in 2013.


78)          Woods G. C., Simpson M. J., Koerner P. J., Napoli A., and Simpson A. J. HILIC-NMR: towards the identification of individual molecular components in dissolved organic matter. Environmental Science & Technology, Volume 45, Issue 9, 1 May 2011, Pages 3880-3886. Picked up by Chemical and Engineering News (Premiere ACS Magazine) as a profile story.


79)          Woods G. C., Simpson M.J., Pautler B.G., Lamoureux S. F., Lafrenièreb M. J. and Simpson A. J., Accelerated carbon cycling in the Canadian High Arctic due to inputs of labile dissolved organic matter following permafrost slope disturbance, Geochimica et Cosmochimica Acta. 75, 2011, 7226-7241.


80)          Giri J., Diallo M.S., Simpson A. J., Liu Y., Goddard W. A.  III, Kumar R., and Woods G. Interactions of Poly(amidoamine) Dendrimers with Human Serum Albumin: Binding Constants and Mechanisms. ACS Nano, Volume 5, Issue 5, 24 May 2011, Pages 3456-3468. Impact Factor 11.7.


81)          Clemente J.S., Simpson A.J., Simpson M.J. Association of specific organic matter compounds in size fractions of soils under different environmental controls, Organic Geochemistry, 42, 2011, 1169-1180.


82)          Lankadurai B.P., Wolfe D.M., Simpson A.J., Simpson M.J. 1H NMR-based metabolomics of time-dependent responses of Eisenia fetida to sub-lethal phenanthrene exposure. Environmental Pollution, 159, 10, 2011, 2845-2851.


83)           Lankadurai B.P., Wolfe D.M., Simpson A.J., Simpson M.J. “1H NMR-based metabolomic observation of a two-phased toxic mode of action in Eisenia fetida after sub-lethal phenanthrene exposure”, Environmental Chemistry, Volume 8, Issue 2, 2011, Pages 105-114.  


84)          Whitfield Åslund M.L., Simpson A.J., Simpson M.J, 1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil, Ecotoxicology, Volume 20, Issue 4, June 2011, Pages 836-846.


85)          McCaul M.V., Simpson A.J., Spence A., McNally D.J., Kelleher B.P. Composition of dissolved organic matter within a lacustrine environment, Environmental Chemistry, 8 (2), 2011, 146-154.


86)          Longstaffe J. G. and Simpson A. J., Understanding solution-state non-covalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy, Environmental Toxicology and Chemistry, Volume 8, Issue 2, 2011, Pages 146-154.


87)          Pautler, B.G., Simpson A. J., Simpson M. J., Tseng L., Spraul M., Dubnic A., Sharp M. J.  Fitzsimons, S.J. “Detection and structural identification of dissolved organic matter in Antarctic glacial ice at natural abundance by SPR-W5-WATERGATE 1H NMR spectroscopy” Environmental Science & Technology, 2011, 45, 4710-4717. (I am joint corresponding/senior author). Permits ~85% of the components in ice and natural water to be identified directly without altering the sample.


88)          Yuk, J, Simpson, M.J. Simpson A.J. “1D and 2D NMR metabolomics of Earthworm responses to sub-lethal trifluralin and endosulfan exposure” Environmental Chemistry, 8, 3, 2011, Pages 281-294.


89)          Whitfield Åslund, M., Celejewski, M., Lankadurai, B.P., Simpson, A.J., Simpson, M.J, “Natural variability and correlations in the metabolic profile of healthy Eisenia fetida earthworms observed using 1H NMR metabolomics” Chemosphere, 2011, 83:1096-1101.  


90)          Spence, A., A. J. Simpson, D. J. McNally, B. W. Moran, M. V. McCaul, K. Hart, B. Paull, B. P. Kelleher. The Degradation Characteristics of Microbial Biomass in Soil. Geochimica et Cosmo. Acta. Volume 75, Issue 10, 15 May 2011, Pages 2571-2581.


91)          Feng, X., K. Hills, A. J. Simpson, J. Whalen and M. J. Simpson.  The role of biodegradation and photo-oxidation in the transformation of terrestrial organic matter.  Organic Geochemistry, 2011, 42, 262-274.


92)          Song G., Hayes M. H. B., Novotny E. H., Simpson A. J.,  Isolation and fractionation of soil humin materials using alkaline urea and DMSO plus sulphuric acid Naturwissenschaften, 2011, 98, 7-13.


93)          Yuk J., McKelvie J., Simpson M., Spraul M., Simpson A. J. Comparison of 1D and 2D NMR techniques for screening earthworm responses to sub-lethal pesticide exposure. Environmental Chemistry, 2010, 7, 524-536.


94)          Feng, X., Simpson, A.J., Gregorich, E.G., Elberling, B., Hopkins, D.W., Sparrow, A.D., Novis, P.M., Greenfield, L.G., Simpson, M.J. “Chemical characterization of microbial-dominated soil organic matter in the Garwood Valley, Antarctica” Geochimica et Cosmochimica Acta, 2010, 74, 6485-6498.


95)          Longstaffe J., Simpson M.J., Maas W. and Simpson A. J. “Identifying the components in soil organic matter that bind contaminants using Reverse Heteronuclear Saturation Difference NMR Spectroscopy” Environmental Science and Technology, 2010, 44, 14, 5476-5482.


96)           Byrne, C. M., Hayes, M. H.B., Kumar R., Novotny. E. H., Lanigan G., Richards. K. G., Fay. D. and Simpson A. J., "Compositional changes in the hydrophobic acids fraction of drainage water from different land management practices." Water Research, 2010, 44, 15, 4379-4390.


97)          D’eon, J. C., Simpson A. J., Kumar R., Baer A. J., and Scott M. A. “Determination of the Molecular Interactions of Perfluorinated Carboxylic Acids with Human Sera and Isolated Human Serum Albumin using Nuclear Magnetic Resonance Spectroscopy” Environmental Toxicology and Chemistry, 2010, 29, 8, 1678-1688.


98)          Pautler, B. G., A. J. Simpson, D. J. McNally, S. F. Lamoureux, and M. J. Simpson.  Arctic permafrost active layer detachments stimulate microbial activity in arctic soil organic matter.  Environmental Science and Technology, 2010, 44 (11), pp. 4076-4082.  


99)          Brown, S. A. E., J. G. McKelvie, A. J. Simpson, and M. J. Simpson.  11H NMR metabolomics of earthworm exposure to sub-lethal concentrations of phenanthrene in soil, Environmental Pollution, 2010, 158 (6), pp. 2117-2123. 


100)       McKelvie, J. R., D. M. Wolfe, M. Celejewski, A. J. Simpson, and M. J. Simpson. Correlations of Eisenia fetida metabolic responses to extractable phenanthrene concentrations through time.  Environmental Pollution, 2010, 158 (6), pp. 2150-2157.


101)       Feng, X., A. J. Simpson, W. H. Schlesinger, and M. J. Simpson.  Altered microbial community structure and organic matter composition under elevated CO2 and N fertilization in the Duke Forest.  Global Change Biology, 2010, 16 (7), pp. 2104-2116.  


102)       Woods G., Simpson M. J. Kelleher B.K. and Simpson A. J. “Online HPSEC-NMR for the Characterization of Dissolved Organic Matter”, Environmental Science and Technology – 2010, 44, 624-630.


103)       McKelvie, J. R., M. Elsner, A. J. Simpson, B. Sherwood Lollar, and M. J. Simpson.  2010. Quantitative site-specific 2H NMR investigation of MTBE: Potential for assessing contaminant sources and fate.  Environmental Science & Technology, 2010, 44:1062-1068.


104)       Xu, Y., A.J. Simpson, N. Eyles, and M.J. Simpson. Sources and molecular composition of cryoconite organic matter from the Athabasca Glacier, Canadian Rocky Mountains. Organic Geochemistry, 2010, 41:177-186.


105)       Brown, S. A. E., A. J. Simpson, and M. J. Simpson.  1H NMR metabolomics of earthworm responses to sub-lethal PAH exposure.  Environmental Chemistry, 2009, 6:432-440.  


106)       Lam, B., Simpson, A. J., “Investigating Aggregation in Suwannee River, USA, Dissolved Organic Matter Using Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy” Environmental Toxicology and Chemistry, 2009, 28(5), 931-939.


107)       McKelvie J., Yuk. J, Simpson A.J. and Simpson M.J. “1H NMR and GC/MS metabolomics of earthworm responses to sub-lethal DDT and endosulfan exposure”, Invited by Metabolomics, 2009, 5, 84-94.


108)       Simpson A. J., Shirzadi, A., Dicks A. P., Burrow T, Lefebvre B. and Corrin T, “Use of NMR and NMR prediction software to identify components in red bull energy drinks”, Journal of Chemical Education, 2009, 86, 360-362. (I am the corresponding/senior author).


109)       Feng X., Simpson M.J., Simpson A. J., Wilson K.P.,  Williams, D.D., "Soil warming enhances cuticular carbon sequestration and lignin oxidation", Nature Geoscience, 2008, 1:836-839.


110)       Shirzadi, A.; Simpson, M. J.; Kumar R., Baer A., Xu Y. and Simpson, A. J., “Molecular Interactions of Pesticides at the Soil-Water Interface” Environmental Science & Technology 2008, 42, 5514-5520. (I am the corresponding/senior author).


111)       Song, G., E. H. Novotny , A. J. Simpson, C. E. Clapp , and M. H. B. Hayes”  Sequential exhaustive extraction of a Mollisol soil, and characterizations of humic components, including humin, by solid and solution state NMR.” Invited by the European Journal of Soil Science  2008, 59, 505-516.


112)       Brown, S. A. E., Simpson A. J. and Simpson M. J.  Evaluation of sample preparation methods for nuclear magnetic resonance metabolic profiling studies with Eisenia Fetida.  Environmental Toxicology and Chemistry. 2008, 27, 828-836.


113)       Simpson A. J., Woods G. and O. Mehrzad, Spectral editing of mixtures into their pure components using NMR spectroscopy and Ultra-viscous solvents. Analytical Chemistry, 2008, 80, 186-194. Featured as a “news headline” by one of the most popular science reporting websites.


114)       Lam, B. and Simpson A. J., Direct 1H NMR spectroscopy of Dissolved Organic Matter in Natural Waters, The Analyst, 2008, 133, 263-269.


115)       Shirzadi, A., Simpson M. J., Simpson A. J., The Application of Saturation Transfer Double Difference NMR to Elucidate the Mechanistic Interactions of Pesticides with Humic Acid. Environmental Science & Technology, 2008, 42, 1084-1090.


116)       Simpson, A. J., Simpson M. J., Smith E. and Kelleher, B. P. Estimation of microbially-derived inputs to soil organic matter using NMR spectroscopy: Are current estimations too low?, Environmental Science and Technology, 2007, 41, 8070-8076. 


117)       Lam B.; Alaee M.; Lefebvre B.; Moser A.; Williams A.; Simpson, A. J., Major Structural Components in Freshwater Dissolved Organic Matter. Environmental Science and Technology,  2007, 41, 2840-2847.


118)       Simpson, M. J., A. J. Simpson, D. Gross, M. Spraul, and W. L. Kingery.  NMR Microimaging of Water and Chemical Distribution in Soil Columns.  Environmental Toxicology and Chemistry, 2007, 26, 1340-1348.


119)       J. Peuravuori, A.J. Simpson, B. Lam, P. Zabankova K. Pihlaja “Structural features of lignite humic acid in light of NMR and thermal degradation experiments” Journal of Molecular Structure, 2007, 826, 131-142.


120)       Simpson, A. J., G. Song, E. Smith, B. Lam, E. L. Novotny, M. H. B. Hayes, “Unraveling the Structural Components of Soil Humin using Solution State NMR Spectroscopy” Environmental Science and Technology, 2007, 41, 876-883. (I am the corresponding/senior author).


121)       Kelleher B.P., Rogers R.E., Simpson A. J., Martin H., Dearman J., Kingery W. L., Surface Analysis of Methane Hydrate-Bearing Deep Marine Sediments. Marine Chemistry, 2007, 103, 237-249.


122)       Lam, B. and A. J. Simpson, “A Passive Sampler for Dissolved Organic Matter in Fresh Water Environments”. Analytical Chemistry, 2006, 78, 8194-8199.


123)       Drori, Y., Lam B., Simpson, A. J., Aizenshtat Z. and Chefetz, B. The role of lipids on sorption characteristics of freshwater- and wastewater-irrigated soils. Journal of Environmental Quality, 2006, 35, 2154-2161.


124)       Kelleher B. and A. J Simpson “Humic Substances in Soils: Are they really chemically distinct?”. Environmental Science and Technology, 2006, 40, 4605-4611. (2nd most downloaded article from June-Oct 2006).


125)       Kelleher, B. P., M. J. Simpson, and A. J. Simpson. Assessing the fate and transformations of plant residues in the terrestrial environment using HR-MAS NMR spectroscopy. Geochimica et Cosmochimica Acta, 2006, 70, 4080-4094.


126)       Simpson, A. J., Simpson, M. J. Kelleher, B. P. and Kingery. W. L. The application of 1H HR-MAS NMR to the study of clay-organic associations in natural and synthetic complexes. Langmuir 2006, 22, 4498-4503.


127)       Feng, X., Simpson, A. J. and Simpson, M. J. Investigating the role of mineral-bound humic acid in phenanthrene sorption. Environmental Science and Technology,  2006, 40, 3260-3266.



128)       Simpson A.J., Lam B., Diamond M. L., Donaldson D.J., Lefebvre B., Moser A., Williams A., Larin  N., Kvasha M., “Assessing the organic composition of urban surface films using nuclear magnetic resonance spectroscopy” Chemosphere, 2006, 63, 142-152.


129)       Feng X, Simpson, A. J. and Simpson, M. J. “Chemical and mineralogical controls of humic acid sorption to clay mineral surfaces” Organic Geochemistry, 2005, 36:1553–1566,(ranked #2 in the most downloaded articles for this journal from Oct-Dec 05).


130)       Lam B., Diamond M.L, Simpson A.J.,  Makar P.A,  Truong J., Hernandez-Martinez N. A., “Chemical Composition of Surface Films and Implications for Atmospheric Chemistry” Atmospheric Environment, 2005, 39 (35): 6578-6586.  


131)       Deshmukh, A.P., A.J. Simpson, and P.G. Hatcher, Insights into Structure of Cutin and Cutan from Agave Americana Leaf Cuticle Using HR-MAS NMR Spectroscopy. Organic Geochemistry, 2005, 36 (7): 1072-1085.


132)       Bialk H.M., Simpson A.J. and Pedersen J.A. Oxidative Coupling of Sulfonamide Antimicrobial Agents with Model Humic Constituents Environmental Science and Technology, 2005, 39, 4463-4473.


133)       Simpson, A.J and Brown S A. PURGE NMR : Effective and Easy Solvent Suppression. Journal of Magnetic Resonance, 2005, 175, 340–346. (2005).  This was rated as the 3RD most downloaded article for the second half of  2005.


134)       Simpson A.J., Tseng L., Simpson M.J., Spraul M., Brauman U., Kingery W.L., Kelleher B., and. Hayes M. H. B., The application of LC-NMR and LC-SPE-NMR to compositional studies of natural organic matter, The Analyst, 2004, 129:1216-1222.


135)       Kelleher B.P., A.J., Simpson, Willeford K.O., Simpson, M.J., Stout, R., Kingery W.L. Acid phosphatase interactions with organo-mineral complexes: Influence on catalytic activity. Biogeochemistry, 2004, 71, (3) : 285-297.


136)       Simpson A.J, Kingery W.L, Williams A, Golotvin S, Kvasha M, Kelleher B.K, Moser A, Lefebvre B., Identifying Residues in Natural Organic Matter through Spectral Prediction and Pattern Matching of 2-D NMR datasets, Magnetic Resonance in Chemistry, 2004; 42, 14–22.


137)       Simpson, M.J, Simpson A.J, and Hatcher P.G, Non-covalent associations between hydrophobic organic contaminants and dissolved organic material observed by NMR, Environmental Toxicology and Chemistry, 2004; 23(2): p. 355–362.


138)       Deshmukh, A.P, Simpson A.J, and Hatcher P.G, Evidence for Cross-Linking in Tomato Cutin Using  HR-MAS NMR Spectroscopy, Phytochemistry, 2003; 64: p. 1163–1170.


139)       Diallo M.S, Simpson A.J, Faulon J.L, Gassman P, Goddard W. A, Johnnson J, Hatcher P.G, Unraveling the 3-D Structures of Natural Organic Matter through Experimental Characterization, Computer Assisted Structure Elucidation and Atomistic simulations. Environmental Science and Technology, 2003, 37 (9), p. 1783-1793.


140)       Simpson, A.J, Kingery W.L, and Hatcher P.G, The identification of plant derived structures in humic materials using three-dimensional NMR spectroscopy. Environmental Science and Technology, 2003, 37(2): p. 337-342.


141)       Kelleher B.P, Oppenheimer S.F, Kingery W.L, Han F.X, Willeford K.O, Simpson M.J, Simpson A.J, Dynamical System Analysis of Protease-Clay Interactions. Langmuir, 2003, 19: p. 9411-9417.


142)       Simpson A.J, Zang X, Kramer R, Hatcher P.G, New insights on the structure of algaenan from Botryoccocus braunii race A and its hexane insoluble botryals based on multidimensional NMR spectroscopy and electrospray-mass spectrometry techniques. Phytochemistry, 2003, 62(5): p. 783-796.


143)       Kim S, Simpson A.J, Kujawinski E.B, Freitas M.A, Hatcher P.G, Molecular level investigation of riverine dissolved organic matter by high resolution electrospray ionization mass spectrometry, NMR spectroscopy and C18 solid phase disk extraction. Organic Geochemistry, 2003, 34(9), p. 1325-1335.


144)       Kaiser E, Simpson A.J, Dria K.J, Sultzberger B, Hatcher P.G, Solid-state and multidimensional solution-state NMR of solid phase extracted and ultrafiltered riverine dissolved organic matter (DOM). Environmental Science and Technology, 2003, 37(13), p. 2929 – 2935.


145)       Simpson, A.J., Determining the molecular weight, aggregation, structures and interactions of natural organic matter using diffusion ordered spectroscopy. Magnetic Resonance in Chemistry, 2002, 40, p. S72-S82. (Ranked at the 3rd most downloaded article in the Journal in 2002, with over 900 downloads a month. Ranked as the 12th most cited manuscript in the journal to date according to Scopus).


146)       Simpson A.J, Kingery W.L, Hayes M.H.B, Spraul M, Humpfer E, Dvortsak P, Kerssebaum R, Godejohann M, Hofmann M, Molecular structures and associations of humic substances in the terrestrial environment. Naturwissenschaften, 2002, 89(2): p. 84-88.  Amongst the top 30 most cited paper in the journal’s history or 6,500 articles


147)       Simpson A.J, Salloum M.J, Kingery W.L, Hatcher P.G, Improvements in the two-dimensional nuclear magnetic resonance spectroscopy of humic substances. Journal of Environmental Quality, 2002, 31(2): p. 388-392.


148)       Simpson A.J, Kingery W.L, Shaw D.R, Spraul M, Humpfer E, Dvortsak P, The Application of 1H HR-MAS NMR Spectroscopy for the Study of Structures and Associations of Organic Components at the Solid-Aqueous Interface of a Whole Soil. Environmental Science and Technology, 2001, 35(16): p. 3321-3325.


149)       Simpson A.J, Burdon J, Graham C.L, Hayes M.H.B, Spencer N, Kingery W.L, Interpretation of heteronuclear and multidimensional NMR spectroscopy of humic substances. European Journal of Soil Science, 2001, 52(3): p. 495-509.


150)       Simpson A.J, Kingery W.L, Spraul M, Humpfer E, Dvortsak P, Kerssebaum R. Separation of Structural Components in Soil Organic Matter by Diffusion Ordered Spectroscopy. Environmental Science and Technology, 2001, 35(22): p. 4421-4425.


151)       Simpson, A.J, Multidimensional solution state NMR of humic substances: a practical guide and review. Soil Science, 2001, 166(11): p. 795-809.


152)       Kingery W.L, Simpson A.J, Hayes M.H.B, Locke M.A, Hicks R.P. The application of multidimensional NMR to the study of soil humic substances. Soil Science, 2000, 165(6): p. 483-494.


A.                    BOOKS and BOOK ARTICLES – Published and In Press



153)       “NMR Spectroscopy: A Versatile Tool for Environmental Research” edited by Simpson M. and Simpson A. – Wiley,  2014 (467 pages). 


154)       Simpson A.J., Courtier-Murias D., Farooq H., Masoom H., Botana A., Soong R., Longstaffe J.G., Leayen Lam, Andre Sutrisno, Hashim Farooq, Simpson M.J., Maas W.E., Fey M., Andrew B., Struppe, J. Hutchins, H., Krishnamurthy S., Kumar R., Monette, M., Stronks H.J., Hume A., “Environmental Comprehensive Multi-Phase NMR” in Simpson M. and Simpson A. (eds) “NMR Spectroscopy: A Versatile Tool for Environmental Research”, Wiley (Book), 2014, pp. 103-121. DOI: 10.1002/9780470034590.emrstm1337


155)       Mitchell P.J., Simpson A.J., Simpson. M.J. “Dissolved Organic Matter” in Simpson M. and Simpson A. (eds) “NMR Spectroscopy: A Versatile Tool for Environmental Research”, 2014, Wiley (Book) pp.177-193. DOI: DOI: 10.1002/9780470034590.emrstm1348.


156)       A. Sutrisno and A. J. Simpson, “Metals in the Environment” in Simpson M. and Simpson A. (eds) “NMR Spectroscopy: A Versatile Tool for Environmental Research”, 2014, Wiley (Book) pp. 305-319. DOI: 10.1002/9780470034590.emrstm1347.


157)       Simpson, M. J. And A. J. Simpson.  “The role of organic matter-mineral interactions in the sorption of organic contaminants.  In "Biophysico-Chemical Processes of Anthropogenic Organic Compounds in Environmental Systems" Volume 3. B. Xing, N. Senesi, and P.-M. Huang (editors). IUPAC-sponsored Wiley Series. (Invited and Accepted) 2010.


158)       Simpson A.J. and M. J Simpson, “NMR of Natural Organic Matter”, Invited for the Book “Biophysico-Chemical Processes in Environmental Systems” Published by Wiley. (Invited) pp. 589-661, 2009.


159)    Hayes M. H. B., Song G., and Simpson, A. J. “Humic Fractions and the Nature of Organic Materials in Intimate Association with Soil Clays”, in Carbon Stabilization by Clays, Edited by D.A. Laird and J. Cervini-Silva, Published by the Clay Minerals Society, Chantilly, VA, 2007, pages 1-31.


160)       Clapp, C.E., Hayes M.H.B., Simpson A.J., and Kingery W.L. Chemistry of Soil Organic Matter. Chap. 2. In D.L. Sparks and M.A. Tabatabai (ed.) Chemical Processes in Soils. 2005, Soil Science Society  of America, Madison, WI., p. 1-150.


161)       Kingery, W.L., A.J. Simpson, and Hayes M.H.B., Chemical Structures of Soils Organic Matter and their Interactions with Heavy Metals, in Heavy Metals Release in Soils, M.H. Selim and D.L. Sparks, Editors. 2001, CRC Press: London, New York, Washington. p. 237-245.


162)       Kingery W.L, Simpson A.J, Han F, Xing B, Nuclear magnetic resonance studies of metal interactions with humic substances, in Humic Substances and Chemical Contaminants,. C.E. Clapp, M.H.B. Hayes, N. Senesi, P.R. Bloom and P.M. Jardine (ed.),  2001, Soil Science Society of America, Inc. p. 397-426.


163)    Hayes, T.M, Hayes M.H.B, and Simpson A.J, Considerations of the amino nitrogen in humic substances. W.S. Wilson, A.S. Ball, and R.H. Hinton (eds), Special Publication - Royal Society of Chemistry, 1999, 237 (Managing Risks of Nitrates to Humans and the Environment): p. 206-227.



164)       Simpson A.J, Boersma R.E, Kingery W.L, Hicks R.P, Hayes M.H.B. Applications of NMR spectroscopy for studies of the molecular compositions of humic substances. Special Publication - Royal Society of Chemistry, 1997. 172 (Humic Substances in Soils, Peats, and Waters, : Environmental and Health Aspects): p. 46-62.


165)       Simpson A.J, Watt B.E, Graham C.L, Hayes M.H.B, Humic substances from podzols under oak forest and a cleared forest site. I. Isolation and characterization. Special Publication - Royal Society of Chemistry, 1997. 172 (Humic Substances in Soils, Peats, and Waters, : Environmental and Health Aspects, Hayes, M. H. B.;Wilson, W. S.(ed.)): p. 73-82.


166)       Simpson A.J, Watt B.E, Graham C.L, Hayes M.H.B, Humic substances from podzols under oak forest and a cleared forest site. II. Spectroscopic studies. Special Publication - Royal Society of Chemistry, 1997. 172 (Humic Substances in Soils, Peats, and Waters, : Environmental and Health Aspects, Hayes, M. H. B.;Wilson, W. S.(ed.)): p. 83-92.


167)       Simpson A.J, Graham C.L, Hayes M.H.B, Stagg K.A, Stanley P, Studies of humic substances at different pH values using scanning electron microscopy, scanning tunneling electron microscopy, and electron probe X-ray micro analysis. Special Publication - Royal Society of Chemistry, 1997. 172 (Humic Substances in Soils, Peats, and Waters, : Environmental and Health Aspects, Hayes, M. H. B.;Wilson, W. S.(ed.)): p. 93-99.