André Simpson - Publications

Affiliations: 
Department of Chemistry University of Toronto, Toronto, ON, Canada 

18/164 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Jenne A, Soong R, Gruschke O, Bastawrous M, Monks P, Moloney C, Brougham DF, Busse F, Bermel W, Courtier-Murias D, Wu B, Simpson A. A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in Daphnia magna via imaging, spectroscopy, and metabolomics. Magnetic Resonance in Chemistry : Mrc. PMID 36137948 DOI: 10.1002/mrc.5315  0.569
2022 Ghosh Biswas R, Soong R, Ning P, Lane D, Bastawrous M, Jenne A, Schmidig D, de Castro P, Graf S, Kuehn T, Kümmerle R, Bermel W, Busse F, Struppe J, Simpson MJ, ... Simpson AJ, et al. Exploring the Applications of Carbon-Detected NMR in Living and Dead Organisms Using a C-Optimized Comprehensive Multiphase NMR Probe. Analytical Chemistry. PMID 35675504 DOI: 10.1021/acs.analchem.2c01356  0.304
2021 Moxley-Paquette V, Wu B, Lane D, Bastawrous M, Ning P, Soong R, De Castro P, Kovacevic I, Frei T, Stuessi J, Al Adwan-Stojilkovic D, Graf S, Vincent F, Schmidig D, Kuehn T, ... ... Simpson AJ, et al. Evaluation of Double-tuned Single-sided Planar Microcoils for the Analysis of Small C enriched Biological Samples using H- C 2D Heteronuclear Correlation NMR Spectroscopy. Magnetic Resonance in Chemistry : Mrc. PMID 34647646 DOI: 10.1002/mrc.5227  0.421
2020 Ghosh Biswas R, Fortier-McGill B, Akhter M, Soong R, Ning P, Bastawrous M, Jenne A, Schmidig D, De Castro P, Graf S, Kuehn T, Busse F, Struppe J, Fey M, Heumann H, ... ... Simpson AJ, et al. Comprehensive Multiphase NMR of whole organisms: A complementary tool to NMR. Analytica Chimica Acta: X. 6: 100051. PMID 33392494 DOI: 10.1016/j.acax.2020.100051  0.311
2020 Moxley-Paquette V, Lane D, Soong R, Ning P, Bastawrous M, Wu B, Pedram MZ, Haque Talukder MA, Ghafar-Zadeh E, Zverev D, Martin R, Macpherson B, Vargas M, Schmidig D, Graf S, ... ... Simpson AJ, et al. 5-Axis CNC Micromilling for Rapid, Cheap, and Background-Free NMR Microcoils. Analytical Chemistry. PMID 33170641 DOI: 10.1021/acs.analchem.0c03126  0.396
2020 Bastawrous M, Tabatabaei-Anaraki M, Soong R, Bermel W, Gundy M, Boenisch H, Heumann H, Simpson AJ. Inverse or direct detect experiments and probes: Which are "best" for in-vivo NMR research of C enriched organisms? Analytica Chimica Acta. 1138: 168-180. PMID 33161978 DOI: 10.1016/j.aca.2020.09.065  0.317
2020 Anaraki MT, Lysak DH, Soong R, Simpson MJ, Spraul M, Bermel W, Heumann H, Gundy M, Boenisch H, Simpson AJ. NMR assignment of the in vivo daphnia magna metabolome. The Analyst. PMID 32691782 DOI: 10.1039/D0An01280G  0.3
2020 Lane D, Bermel W, Ning P, Jeong TY, Martin R, Soong R, Wu B, Tabatabaei-Anaraki M, Heumann H, Gundy M, Boenisch H, Adamo A, Arhonditsis GB, Simpson AJ. Targeting the Lowest Concentration of a Toxin that Induces a Detectable Metabolic Response in living Organisms: Time Resolved In vivo 2D NMR During a Concentration Ramp. Analytical Chemistry. PMID 32551506 DOI: 10.1021/Acs.Analchem.0C01370  0.405
2019 Ahmadi S, Wu B, Song R, Zhu S, Simpson A, Wilson DJ, Kraatz HB. Exploring the interactions of iron and zinc with the microtubule binding repeats R1 and R4. Journal of Inorganic Biochemistry. 205: 110987. PMID 31927402 DOI: 10.1016/J.Jinorgbio.2019.110987  0.311
2019 Zhan D, Luo W, Kraatz HB, Fehse M, Li Y, Xiao Z, Brougham DF, Simpson AJ, Wu B. Facile Approach for Synthesizing High-Performance MnO/C Electrodes from Rice Husk. Acs Omega. 4: 18908-18917. PMID 31737852 DOI: 10.1021/Acsomega.9B03026  0.53
2019 Lane D, Liaghati Mobarhan Y, Soong R, Ning P, Bermel W, Tabatabaei Anaraki M, Wu B, Heumann H, Gundy M, Boenisch H, Jeong TY, Kovacevic V, Simpson MJ, Simpson AJ. Understanding the fate of environmental chemicals inside living organisms: NMR based 13C isotopic suppression selects only the molecule of interest within C enriched organisms. Analytical Chemistry. PMID 31670507 DOI: 10.1021/Acs.Analchem.9B03596  0.429
2019 Anaraki MT, Lane D, Bastawrous M, Jenne A, Simpson AJ. Metabolic Profiling Using In Vivo High Field Flow NMR. Methods in Molecular Biology (Clifton, N.J.). 2037: 395-409. PMID 31463857 DOI: 10.1007/978-1-4939-9690-2_22  0.303
2019 Wu B, von der Ecken S, Swyer I, Li C, Jenne A, Vincent F, Schmidig D, Kuehn T, Busse F, Stronks H, Soong R, Wheeler AR, Simpson AJ. Rapid Chemical Reaction Monitoring by Digital Microfluidics-NMR: Proof of Principle Towards an Automated Synthetic Discovery Platform. Angewandte Chemie (International Ed. in English). PMID 31449724 DOI: 10.1002/Anie.201910052  0.405
2019 Ahmadi S, Zhu S, Sharma R, Wu B, Soong R, Dutta Majumdar R, Wilson DJ, Simpson AJ, Kraatz HB. Aggregation of Microtubule Binding Repeats of Tau Protein is Promoted by Cu. Acs Omega. 4: 5356-5366. PMID 31001602 DOI: 10.1021/acsomega.8b03595  0.314
2019 Swyer I, von der Ecken S, Wu B, Jenne A, Soong R, Vincent F, Schmidig D, Frei T, Busse F, Stronks HJ, Simpson AJ, Wheeler AR. Digital microfluidics and nuclear magnetic resonance spectroscopy for in situ diffusion measurements and reaction monitoring. Lab On a Chip. PMID 30648175 DOI: 10.1039/C8Lc01214H  0.417
2018 Hassan Q, Dutta Majumdar R, Wu B, Lane D, Tabatabaei-Anraki M, Soong R, Simpson MJ, Simpson AJ. Improvements in Lipid Suppression for 1H NMR-based Metabolomics: Applications to Solution-state and HR-MAS NMR-natural and in vivo samples. Magnetic Resonance in Chemistry : Mrc. PMID 30520113 DOI: 10.1002/Mrc.4814  0.397
2013 Masoom H, Courtier-Murias D, Farooq H, Soong R, Simpson MJ, Maas W, Kumar R, Monette M, Stronks H, Simpson AJ. Rapid estimation of nuclear magnetic resonance experiment time in low-concentration environmental samples. Environmental Toxicology and Chemistry / Setac. 32: 129-36. PMID 23065696 DOI: 10.1002/Etc.2028  0.302
2010 Woods GC, Simpson MJ, Kelleher BP, McCaul M, Kingery WL, Simpson AJ. Online high-performance size exclusion chromatography-nuclear magnetic resonance for the characterization of dissolved organic matter. Environmental Science & Technology. 44: 624-30. PMID 20030309 DOI: 10.1021/Es903042S  0.306
Low-probability matches (unlikely to be authored by this person)
2016 Akhter M, Dutta Majumdar R, Fortier-McGill B, Soong R, Liaghati-Mobarhan Y, Simpson M, Arhonditsis G, Schmidt S, Heumann H, Simpson AJ. Identification of aquatically available carbon from algae through solution-state NMR of whole (13)C-labelled cells. Analytical and Bioanalytical Chemistry. PMID 27074782 DOI: 10.1007/S00216-016-9534-8  0.295
2021 Anaraki MT, Lysak DH, Downey K, Kock FVC, You X, Majumdar RD, Barison A, Lião LM, Ferreira AG, Decker V, Goerling B, Spraul M, Godejohann M, Helm PA, Kleywegt S, ... ... Simpson AJ, et al. NMR spectroscopy of wastewater: A review, case study, and future potential. Progress in Nuclear Magnetic Resonance Spectroscopy. 126: 121-180. PMID 34852923 DOI: 10.1016/j.pnmrs.2021.08.001  0.287
2012 Simpson AJ, Simpson MJ, Soong R. Nuclear magnetic resonance spectroscopy and its key role in environmental research. Environmental Science & Technology. 46: 11488-96. PMID 22909253 DOI: 10.1021/Es302154W  0.284
2019 Lane D, Skinner TE, Gershenzon NI, Bermel W, Soong R, Dutta Majumdar R, Liaghati Mobarhan Y, Schmidt S, Heumann H, Monette M, Simpson MJ, Simpson AJ. Assessing the potential of quantitative 2D HSQC NMR in C enriched living organisms. Journal of Biomolecular Nmr. PMID 30600417 DOI: 10.1007/S10858-018-0221-2  0.28
2017 Arakawa N, Aluwihare LI, Simpson AJ, Soong R, Stephens BM, Lane-Coplen D. Carotenoids are the likely precursor of a significant fraction of marine dissolved organic matter. Science Advances. 3: e1602976. PMID 28959723 DOI: 10.1126/Sciadv.1602976  0.275
2016 Mobarhan YL, Fortier-McGill B, Soong R, Maas WE, Fey M, Monette M, Stronks HJ, Schmidt S, Heumann H, Norwood W, Simpson AJ. Comprehensive multiphase NMR applied to a living organism. Chemical Science. 7: 4856-4866. PMID 30155133 DOI: 10.1039/C6Sc00329J  0.273
2016 Swyer I, Soong R, Dryden MD, Fey M, Maas WE, Simpson A, Wheeler AR. Interfacing digital microfluidics with high-field nuclear magnetic resonance spectroscopy. Lab On a Chip. PMID 27757467 DOI: 10.1039/C6Lc01073C  0.273
2008 Lam B, Baer A, Alaee M, Lefebvre B, Moser A, Williams A, Simpson AJ. Major structural components in freshwater dissolved organic matter. Environmental Science & Technology. 41: 8240-7. PMID 18200846 DOI: 10.1021/ES0713072  0.272
2004 Simpson AJ, Tseng LH, Simpson MJ, Spraul M, Braumann U, Kingery WL, Kelleher BP, Hayes MH. The application of LC-NMR and LC-SPE-NMR to compositional studies of natural organic matter. The Analyst. 129: 1216-22. PMID 15565221 DOI: 10.1039/B408064E  0.27
2017 Dutta Majumdar R, Bliumkin L, Lane D, Soong R, Simpson M, Simpson AJ. Analysis of DOM phototransformation using a looped NMR system integrated with a sunlight simulator. Water Research. 120: 64-76. PMID 28478296 DOI: 10.1016/J.Watres.2017.04.067  0.265
2004 Simpson MJ, Simpson AJ, Hatcher PG. Noncovalent interactions between aromatic compounds and dissolved humic acid examined by nuclear magnetic resonance spectroscopy. Environmental Toxicology and Chemistry / Setac. 23: 355-62. PMID 14982382 DOI: 10.1897/03-217  0.264
2022 Bastawrous M, Ghosh Biswas R, Soong R, Jouda M, MacKinnon N, Mager D, Korvink JG, Simpson AJ. Lenz Lenses in a Cryoprobe: Boosting NMR Sensitivity Toward Environmental Monitoring of Mass-Limited Samples. Analytical Chemistry. 95: 1327-1334. PMID 36576271 DOI: 10.1021/acs.analchem.2c04203  0.264
2015 Nagato EG, Lankadurai BP, Soong R, Simpson AJ, Simpson MJ. Development of an NMR microprobe procedure for high-throughput environmental metabolomics of Daphnia magna. Magnetic Resonance in Chemistry : Mrc. PMID 25891518 DOI: 10.1002/Mrc.4236  0.264
2020 Yuan B, Lysak DH, Soong R, Haddad A, Hisatsune A, Moser A, Golotvin S, Argyropoulos D, Simpson AJ, Muir DCG. Chlorines Are Not Evenly Substituted in Chlorinated Paraffins: A Predicted NMR Pattern Matching Framework for Isomeric Discrimination in Complex Contaminant Mixtures. Environmental Science & Technology Letters. 7: 496-503. PMID 32685603 DOI: 10.1021/Acs.Estlett.0C00244  0.263
2018 Wang JJ, Lafrenière M, Lamoureux S, Simpson AJ, Gélinas Y, Simpson MJ. Differences in riverine and pond water dissolved organic matter composition and sources in Canadian High Arctic watersheds affected by active layer detachments. Environmental Science & Technology. PMID 29301070 DOI: 10.1021/Acs.Est.7B05506  0.263
2022 Jenne A, Bermel W, Michal CA, Gruschke O, Soong R, Ghosh Biswas R, Bastawrous M, Simpson AJ. DREAMTIME NMR Spectroscopy: Targeted Multi-Compound Selection with Improved Detection Limits. Angewandte Chemie (International Ed. in English). e202110044. PMID 35170183 DOI: 10.1002/anie.202110044  0.261
2018 Tabatabaei Anaraki M, Dutta Majumdar R, Wagner N, Soong R, Kovacevic V, Reiner EJ, Bhavsar SP, Ortiz Almirall X, Lane D, Simpson MJ, Heumann H, Schmidt S, Simpson AJ. Development and application of a low volume flow system for solution-state in vivo NMR. Analytical Chemistry. PMID 29863330 DOI: 10.1021/Acs.Analchem.8B00370  0.261
2016 Bliumkin L, Dutta Majumdar R, Soong R, Adamo A, Abbatt JP, Zhao R, Reiner EJ, Simpson AJ. The development of an in-situ NMR photoreactor to study environmental photochemistry. Environmental Science & Technology. PMID 27172272 DOI: 10.1021/Acs.Est.6B00361  0.26
2020 Liaghati Mobarhan Y, Soong R, Lane D, Simpson AJ. In vivo comprehensive multiphase NMR. Magnetic Resonance in Chemistry : Mrc. 58: 427-444. PMID 32239574 DOI: 10.1002/Mrc.4832  0.259
2012 Woods GC, Simpson MJ, Simpson AJ. Oxidized sterols as a significant component of dissolved organic matter: evidence from 2D HPLC in combination with 2D and 3D NMR spectroscopy. Water Research. 46: 3398-408. PMID 22503587 DOI: 10.1016/J.Watres.2012.03.040  0.259
2017 Fugariu I, Bermel W, Lane D, Soong R, Simpson AJ. In-Phase Ultra High-Resolution In Vivo NMR. Angewandte Chemie (International Ed. in English). PMID 28378390 DOI: 10.1002/Anie.201701097  0.257
2002 Simpson AJ, Salloum MJ, Kingery WL, Hatcher PG. Improvements in the two-dimensional nuclear magnetic resonance spectroscopy of humic substances. Journal of Environmental Quality. 31: 388-92. PMID 11931425 DOI: 10.2134/Jeq2002.3880  0.255
2017 Simpson AJ, Simpson MJ, Soong R. Environmental Nuclear Magnetic Resonance Spectroscopy: An Overview and A Primer. Analytical Chemistry. PMID 29131590 DOI: 10.1021/Acs.Analchem.7B03241  0.254
2018 Kovacevic V, Simpson AJ, Simpson MJ. Evaluation of Daphnia magna metabolic responses to organic contaminant exposure with and without dissolved organic matter using H nuclear magnetic resonance (NMR)-based metabolomics. Ecotoxicology and Environmental Safety. 164: 189-200. PMID 30118952 DOI: 10.1016/J.Ecoenv.2018.08.006  0.249
2012 Courtier-Murias D, Farooq H, Masoom H, Botana A, Soong R, Longstaffe JG, Simpson MJ, Maas WE, Fey M, Andrew B, Struppe J, Hutchins H, Krishnamurthy S, Kumar R, Monette M, ... ... Simpson AJ, et al. Comprehensive multiphase NMR spectroscopy: basic experimental approaches to differentiate phases in heterogeneous samples. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 217: 61-76. PMID 22425441 DOI: 10.1016/J.Jmr.2012.02.009  0.248
2018 Ning P, Soong R, Bermel W, Lane D, Simpson MJ, Simpson AJ. C quantification in heterogeneous multiphase natural samples by CMP-NMR using stepped decoupling. Analytical and Bioanalytical Chemistry. PMID 30105624 DOI: 10.1007/S00216-018-1306-1  0.244
2022 Bastawrous M, Gruschke O, Soong R, Jenne A, Gross D, Busse F, Nashman B, Lacerda A, Simpson AJ. Comparing the Potential of Helmholtz and Planar NMR Microcoils for Analysis of Intact Biological Samples. Analytical Chemistry. 94: 8523-8532. PMID 35658120 DOI: 10.1021/acs.analchem.2c01560  0.243
2021 Ning P, Lane D, Ghosh Biswas R, Soong R, Schmidig D, Frei T, De Castro P, Kovacevic I, Graf S, Wegner S, Busse F, Kuehn T, Struppe J, Fey M, Stronks HJ, ... ... Simpson AJ, et al. Comprehensive Multiphase NMR Probehead with Reduced Radiofrequency Heating Improves the Analysis of Living Organisms and Heat-Sensitive Samples. Analytical Chemistry. PMID 34259008 DOI: 10.1021/acs.analchem.1c01932  0.241
2013 Hart KM, Kulakova AN, Allen CC, Simpson AJ, Oppenheimer SF, Masoom H, Courtier-Murias D, Soong R, Kulakov LA, Flanagan PV, Murphy BT, Kelleher BP. Tracking the fate of microbially sequestered carbon dioxide in soil organic matter. Environmental Science & Technology. 47: 5128-37. PMID 23611116 DOI: 10.1021/Es3050696  0.241
2021 Ning P, Lane D, Ghosh Biswas R, Jenne A, Bastawrous M, Soong R, Schmidig D, Frei T, De Castro P, Kovacevic I, Graf S, Wegner S, Bermel W, Busse F, Kuehn T, ... ... Simpson AJ, et al. Expanding current applications and permitting the analysis of larger intact samples by means of a 7 mm CMP-NMR probe. The Analyst. PMID 34136891 DOI: 10.1039/d1an00809a  0.241
2011 Woods GC, Simpson MJ, Koerner PJ, Napoli A, Simpson AJ. HILIC-NMR: toward the identification of individual molecular components in dissolved organic matter. Environmental Science & Technology. 45: 3880-6. PMID 21469703 DOI: 10.1021/Es103425S  0.236
2006 Simpson AJ, Lam B, Diamond ML, Donaldson DJ, Lefebvre BA, Moser AQ, Williams AJ, Larin NI, Kvasha MP. Assessing the organic composition of urban surface films using nuclear magnetic resonance spectroscopy. Chemosphere. 63: 142-52. PMID 16213561 DOI: 10.1016/J.Chemosphere.2005.07.013  0.236
2013 Cottrell BA, Cheng WR, Lam B, Cooper WJ, Simpson AJ. An enhanced capillary electrophoresis method for characterizing natural organic matter. The Analyst. 138: 1174-9. PMID 23289095 DOI: 10.1039/c2an36144b  0.235
2014 Lam L, Soong R, Sutrisno A, de Visser R, Simpson MJ, Wheeler HL, Campbell M, Maas WE, Fey M, Gorissen A, Hutchins H, Andrew B, Struppe J, Krishnamurthy S, Kumar R, ... ... Simpson AJ, et al. Comprehensive multiphase NMR spectroscopy of intact ¹³C-labeled seeds. Journal of Agricultural and Food Chemistry. 62: 107-15. PMID 24354469 DOI: 10.1021/Jf4045638  0.233
2015 Wheeler HL, Soong R, Courtier-Murias D, Botana A, Fortier-Mcgill B, Maas WE, Fey M, Hutchins H, Krishnamurthy S, Kumar R, Monette M, Stronks HJ, Campbell MM, Simpson A. Comprehensive multiphase NMR: a promising technology to study plants in their native state. Magnetic Resonance in Chemistry : Mrc. PMID 25855560 DOI: 10.1002/Mrc.4230  0.232
2019 Wagner ND, Helm PA, Simpson AJ, Simpson MJ. Metabolomic responses to pre-chlorinated and final effluent wastewater with the addition of a sub-lethal persistent contaminant in Daphnia magna. Environmental Science and Pollution Research International. PMID 30719660 DOI: 10.1007/S11356-019-04318-8  0.231
2003 Kaiser E, Simpson AJ, Dria KJ, Sulzberger B, Hatcher PG. Solid-state and multidimensional solution-state NMR of solid phase extracted and ultrafiltered riverine dissolved organic matter. Environmental Science & Technology. 37: 2929-35. PMID 12875396 DOI: 10.1021/Es020174B  0.23
2006 Simpson AJ, Simpson MJ, Kingery WL, Lefebvre BA, Moser A, Williams AJ, Kvasha M, Kelleher BP. The application of 1H high-resolution magic-angle spinning NMR for the study of clay-organic associations in natural and synthetic complexes. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 4498-503. PMID 16649755 DOI: 10.1021/La052679W  0.23
2012 Farooq H, Soong R, Courtier-Murias D, Anklin C, Simpson A. Tailoring 1H spin dynamics in small molecules via supercooled water: a promising approach for metabolite identification and validation. Analytical Chemistry. 84: 6759-66. PMID 22788933 DOI: 10.1021/Ac301078N  0.229
2013 Nagato EG, D'eon JC, Lankadurai BP, Poirier DG, Reiner EJ, Simpson AJ, Simpson MJ. (1)H NMR-based metabolomics investigation of Daphnia magna responses to sub-lethal exposure to arsenic, copper and lithium. Chemosphere. 93: 331-7. PMID 23732010 DOI: 10.1016/J.Chemosphere.2013.04.085  0.229
2015 Lankadurai BP, Nagato EG, Simpson AJ, Simpson MJ. Analysis of Eisenia fetida earthworm responses to sub-lethal C60 nanoparticle exposure using (1)H-NMR based metabolomics. Ecotoxicology and Environmental Safety. 120: 48-58. PMID 26024814 DOI: 10.1016/J.Ecoenv.2015.05.020  0.227
2010 Longstaffe JG, Simpson MJ, Maas W, Simpson AJ. Identifying components in dissolved humic acid that bind organofluorine contaminants using (1)H{(19)F} reverse heteronuclear saturation transfer difference NMR spectroscopy. Environmental Science & Technology. 44: 5476-82. PMID 20568693 DOI: 10.1021/Es101100S  0.227
2010 Byrne CM, Hayes MH, Kumar R, Novotny EH, Lanigan G, Richards KG, Fay D, Simpson AJ. Compositional changes in the hydrophobic acids fraction of drainage water from different land management practices. Water Research. 44: 4379-90. PMID 20580403 DOI: 10.1016/j.watres.2010.05.055  0.227
2019 Jenne A, Soong R, Bermel W, Sharma N, Masi A, Tabatabaei Anaraki M, Simpson A. Focusing on "the important" through targeted NMR experiments: an example of selective C-C bond detection in complex mixtures. Faraday Discussions. PMID 31114816 DOI: 10.1039/C8Fd00213D  0.226
2022 Ghosh Biswas R, Croxall MP, Lawrence RT, Soong R, Goh MC, Simpson AJ. A new perspective on the photocatalytic action of titanium dioxide on phenol elucidated using comprehensive multiphase NMR. Nanoscale. 14: 9869-9876. PMID 35775921 DOI: 10.1039/d2nr01911f  0.226
2005 Simpson AJ, Brown SA. Purge NMR: effective and easy solvent suppression. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 175: 340-6. PMID 15964227 DOI: 10.1016/j.jmr.2005.05.008  0.225
2017 Fortier-McGill B, Dutta Majumdar R, Lam L, Soong R, Liaghati Mobarhan Y, Sutrisno A, de Visser R, Simpson MJ, Wheeler H, Campbell M, Gorissen A, Simpson AJ. Comprehensive Multiphase (CMP) NMR Monitoring of the Structural Changes and Molecular Flux within a Growing Seed. Journal of Agricultural and Food Chemistry. PMID 28727919 DOI: 10.1021/Acs.Jafc.7B02421  0.223
2017 Kariuki MN, Nagato EG, Lankadurai BP, Simpson AJ, Simpson MJ. Analysis of Sub-Lethal Toxicity of Perfluorooctane Sulfonate (PFOS) to Daphnia magna Using ¹H Nuclear Magnetic Resonance-Based Metabolomics. Metabolites. 7. PMID 28420092 DOI: 10.3390/Metabo7020015  0.221
2020 Soong R, Liaghati Mobarhan Y, Tabatabaei M, Bastawrous M, Biswas RG, Simpson M, Simpson A. Flow-based in vivo NMR spectroscopy of small aquatic organisms. Magnetic Resonance in Chemistry : Mrc. 58: 411-426. PMID 32239577 DOI: 10.1002/Mrc.4886  0.219
2010 Pautler BG, Simpson AJ, McNally DJ, Lamoureux SF, Simpson MJ. Arctic permafrost active layer detachments stimulate microbial activity and degradation of soil organic matter. Environmental Science & Technology. 44: 4076-82. PMID 20459054 DOI: 10.1021/Es903685J  0.217
2017 Dani VD, Simpson AJ, Simpson MJ. ANALYSIS OF EARTHWORM SUB-LETHAL TOXIC RESPONSES TO ATRAZINE EXPOSURE USING (1) H NUCLEAR MAGNETIC RESONANCE (NMR)-BASED METABOLOMICS. Environmental Toxicology and Chemistry. PMID 28888035 DOI: 10.1002/Etc.3978  0.217
2022 Arachchi SS, Palma SP, Sanders CI, Xu H, Ghosh Biswas R, Soong R, Simpson AJ, Casabianca LB. Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR. Acs Environmental Au. 3: 47-55. PMID 36691656 DOI: 10.1021/acsenvironau.2c00047  0.216
2013 Farooq H, Courtier-Murias D, Soong R, Masoom H, Maas W, Fey M, Kumar R, Monette M, Stronks H, Simpson MJ, Simpson AJ. 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 : Mrc. 51: 129-35. PMID 23322645 DOI: 10.1002/Mrc.3923  0.215
2018 Kovacevic V, Simpson AJ, Simpson MJ. The concentration of dissolved organic matter impacts the metabolic response in Daphnia magna exposed to 17α-ethynylestradiol and perfluorooctane sulfonate. Ecotoxicology and Environmental Safety. 170: 468-478. PMID 30553925 DOI: 10.1016/J.Ecoenv.2018.12.008  0.215
2023 Ghosh Biswas R, Soong R, Jenne A, Bastawrous M, Simpson M, Simpson AJ. SASSY NMR: Simultaneous Solid and Solution spectroscopy. Angewandte Chemie (International Ed. in English). PMID 36588093 DOI: 10.1002/anie.202216105  0.213
2008 Brown SA, Simpson AJ, Simpson MJ. Evaluation of sample preparation methods for nuclear magnetic resonance metabolic profiling studies with Eisenia fetida. Environmental Toxicology and Chemistry / Setac. 27: 828-36. PMID 18333692 DOI: 10.1897/07-412.1  0.213
2019 Kovacevic V, Simpson AJ, Simpson MJ. Metabolic profiling of Daphnia magna exposure to a mixture of hydrophobic organic contaminants in the presence of dissolved organic matter. The Science of the Total Environment. 688: 1252-1262. PMID 31726555 DOI: 10.1016/J.Scitotenv.2019.06.222  0.213
2003 Simpson AJ, Kingery WL, Hatcher PG. The identification of plant derived structures in humic materials using three-dimensional NMR spectroscopy. Environmental Science & Technology. 37: 337-42. PMID 12564906 DOI: 10.1021/Es025956J  0.212
2012 Pautler BG, Woods GC, Dubnick A, Simpson AJ, Sharp MJ, Fitzsimons SJ, Simpson MJ. Molecular characterization of dissolved organic matter in glacial ice: coupling natural abundance 1H NMR and fluorescence spectroscopy. Environmental Science & Technology. 46: 3753-61. PMID 22385100 DOI: 10.1021/Es203942Y  0.211
2003 Simpson AJ, Zang X, Kramer R, Hatcher PG. 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. 62: 783-96. PMID 12620332 DOI: 10.1016/S0031-9422(02)00628-3  0.21
2006 Feng X, Simpson AJ, Simpson MJ. Investigating the role of mineral-bound humic acid in phenanthrene sorption. Environmental Science & Technology. 40: 3260-6. PMID 16749691 DOI: 10.1021/Es0521472  0.209
2014 Alves Filho EG, Sartori L, Silva LM, Silva BF, Fadini PS, Soong R, Simpson A, Ferreira AG. Non-targeted analyses of organic compounds in urban wastewater. Magnetic Resonance in Chemistry : Mrc. PMID 25354334 DOI: 10.1002/Mrc.4169  0.207
2016 Kovacevic V, Simpson AJ, Simpson MJ. (1)H NMR-based metabolomics of Daphnia magna responses after sub-lethal exposure to triclosan, carbamazepine and ibuprofen. Comparative Biochemistry and Physiology. Part D, Genomics & Proteomics. PMID 26809854 DOI: 10.1016/J.Cbd.2016.01.004  0.205
2011 McKelvie JR, Wolfe DM, Celejewski MA, Alaee M, Simpson AJ, Simpson MJ. Metabolic responses of Eisenia fetida after sub-lethal exposure to organic contaminants with different toxic modes of action. Environmental Pollution (Barking, Essex : 1987). 159: 3620-6. PMID 21856054 DOI: 10.1016/J.Envpol.2011.08.002  0.205
2013 Yuk J, Simpson MJ, Simpson AJ. 1-D and 2-D NMR-based metabolomics of earthworms exposed to endosulfan and endosulfan sulfate in soil. Environmental Pollution (Barking, Essex : 1987). 175: 35-44. PMID 23333485 DOI: 10.1016/J.Envpol.2012.12.007  0.205
2015 Simpson AJ. Environmental NMR. Magnetic Resonance in Chemistry : Mrc. PMID 25916630 DOI: 10.1002/mrc.4241  0.205
2019 Tabatabaei Anaraki M, Bermel W, Dutta Majumdar R, Soong R, Simpson M, Monnette M, Simpson AJ. 1D "Spikelet" Projections from Heteronuclear 2D NMR Data-Permitting 1D Chemometrics While Preserving 2D Dispersion. Metabolites. 9. PMID 30654443 DOI: 10.3390/Metabo9010016  0.203
2018 Wagner ND, Simpson AJ, Simpson MJ. Sub-Lethal Metabolic Responses to Contaminant Mixture Toxicity in Daphnia magna. Environmental Toxicology and Chemistry. PMID 29920755 DOI: 10.1002/Etc.4208  0.2
2007 Simpson AJ, Song G, Smith E, Lam B, Novotny EH, Hayes MH. Unraveling the structural components of soil humin by use of solution-state nuclear magnetic resonance spectroscopy. Environmental Science & Technology. 41: 876-83. PMID 17328197  0.2
2002 Simpson AJ, Kingery WL, Hayes MH, Spraul M, Humpfer E, Dvortsak P, Kerssebaum R, Godejohann M, Hofmann M. Molecular structures and associations of humic substances in the terrestrial environment Naturwissenschaften. 89: 84-88. PMID 12046627 DOI: 10.1007/s00114-001-0293-8  0.198
2021 Sivelli G, Conley GM, Herrera C, Marable K, Rodriguez KJ, Bollwein H, Sudano MJ, Brugger J, Simpson AJ, Boero G, Grisi M. NMR spectroscopy of a single mammalian early stage embryo. Journal of Magnetic Resonance (San Diego, Calif. : 1997). 335: 107142. PMID 34999310 DOI: 10.1016/j.jmr.2021.107142  0.196
2008 Simpson AJ, Woods G, Mehrzad O. Spectral editing of organic mixtures into pure components using NMR spectroscopy and ultraviscous solvents. Analytical Chemistry. 80: 186-94. PMID 18052233 DOI: 10.1021/ac702119d  0.195
2012 Whitfield Ã…slund ML, McShane H, Simpson MJ, Simpson AJ, Whalen JK, Hendershot WH, Sunahara GI. Earthworm sublethal responses to titanium dioxide nanomaterial in soil detected by ¹H NMR metabolomics. Environmental Science & Technology. 46: 1111-8. PMID 22148900 DOI: 10.1021/Es202327K  0.194
2012 Longstaffe JG, Courtier-Murias D, Soong R, Simpson MJ, Maas WE, Fey M, Hutchins H, Krishnamurthy S, Struppe J, Alaee M, Kumar R, Monette M, Stronks HJ, Simpson AJ. In-situ molecular-level elucidation of organofluorine binding sites in a whole peat soil. Environmental Science & Technology. 46: 10508-13. PMID 22946434 DOI: 10.1021/Es3026769  0.194
2018 Kovacevic V, Simpson AJ, Simpson MJ. Investigation of Sub-Lethal Exposure to Organophosphate Esters in the Presence of Dissolved Organic Matter Using ¹H NMR-Based Metabolomics. Metabolites. 8. PMID 29783758 DOI: 10.3390/Metabo8020034  0.192
2017 Wang JJ, Pisani O, Lin LH, Lun OOY, Bowden RD, Lajtha K, Simpson AJ, Simpson MJ. Long-term litter manipulation alters soil organic matter turnover in a temperate deciduous forest. The Science of the Total Environment. 607: 865-875. PMID 28711848 DOI: 10.1016/J.Scitotenv.2017.07.063  0.191
2010 McKelvie JR, Elsner M, Simpson AJ, Sherwood Lollar B, Simpson MJ. Quantitative site-specific (2)H NMR investigation of MTBE: potential for assessing contaminant sources and fate. Environmental Science & Technology. 44: 1062-8. PMID 20041709 DOI: 10.1021/Es9030276  0.191
2020 Anaraki MT, Shahmohamadloo RS, Sibley PK, MacPherson K, Bhavsar SP, Simpson AJ, Ortiz Almirall X. Optimization of an MMPB Lemieux Oxidation method for the quantitative analysis of microcystins in fish tissue by LC-QTOF MS. The Science of the Total Environment. 737: 140209. PMID 32783840 DOI: 10.1016/j.scitotenv.2020.140209  0.19
2018 Boyer A, Ning P, Killey D, Klukas M, Rowan D, Simpson AJ, Passeport E. Strontium adsorption and desorption in wetlands: Role of organic matter functional groups and environmental implications. Water Research. 133: 27-36. PMID 29353697 DOI: 10.1016/j.watres.2018.01.026  0.19
2013 Lankadurai BP, Furdui VI, Reiner EJ, Simpson AJ, Simpson MJ. 1H NMR-Based Metabolomic Analysis of Sub-Lethal Perfluorooctane Sulfonate Exposure to the Earthworm, Eisenia fetida, in Soil. Metabolites. 3: 718-40. PMID 24958147 DOI: 10.3390/Metabo3030718  0.189
2005 Simpson AJ, Lefebvre B, Moser A, Williams A, Larin N, Kvasha M, Kingery WL, Kelleher B. Identifying residues in natural organic matter through spectral prediction and pattern matching of 2D NMR datasets. Magnetic Resonance in Chemistry : Mrc. 42: 14-22. PMID 14745812 DOI: 10.1002/MRC.1308  0.189
2011 Whitfield Slund M, Celejewski M, Lankadurai BP, Simpson AJ, Simpson MJ. Natural variability and correlations in the metabolic profile of healthy Eisenia fetida earthworms observed using ¹H NMR metabolomics. Chemosphere. 83: 1096-101. PMID 21316730 DOI: 10.1016/J.Chemosphere.2011.01.036  0.186
2023 Oliveira Pereira EA, Labine LM, Kleywegt S, Jobst KJ, Simpson AJ, Simpson MJ. Daphnia magna sub-lethal exposure to phthalate pollutants elicits disruptions in amino acid and energy metabolism. Aquatic Toxicology (Amsterdam, Netherlands). 257: 106432. PMID 36841068 DOI: 10.1016/j.aquatox.2023.106432  0.185
2018 Anaraki MT, Simpson MJ, Simpson AJ. Reducing impacts of organism variability in metabolomics via time trajectory in vivo NMR. Magnetic Resonance in Chemistry : Mrc. PMID 29906816 DOI: 10.1002/Mrc.4759  0.184
2011 Longstaffe JG, Simpson AJ. Understanding solution-state noncovalent interactions between xenobiotics and natural organic matter using 19F/1H heteronuclear saturation transfer difference nuclear magnetic resonance spectroscopy. Environmental Toxicology and Chemistry / Setac. 30: 1745-53. PMID 21538490 DOI: 10.1002/etc.560  0.183
2011 Lankadurai BP, Wolfe DM, Simpson AJ, Simpson MJ. 1H NMR-based metabolomics of time-dependent responses of Eisenia fetida to sub-lethal phenanthrene exposure. Environmental Pollution (Barking, Essex : 1987). 159: 2845-51. PMID 21620543 DOI: 10.1016/J.Envpol.2011.04.044  0.181
2011 Whitfield Åslund ML, Simpson AJ, Simpson MJ. 1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil. Ecotoxicology (London, England). 20: 836-46. PMID 21424327 DOI: 10.1007/S10646-011-0638-9  0.178
2015 Longstaffe JG, Courtier-Murias D, Simpson AJ. A nuclear magnetic resonance study of the dynamics of organofluorine interactions with a dissolved humic acid. Chemosphere. 145: 307-313. PMID 26692506 DOI: 10.1016/j.chemosphere.2015.11.080  0.178
2022 Barison A, Biswas RG, Ning P, Kock FVC, Soong R, Di Medeiros MCB, Simpson A, Lião LM. Introducing comprehensive multiphase NMR for the analysis of food: Understanding the hydrothermal treatment of starch-based foods. Food Chemistry. 397: 133800. PMID 35914461 DOI: 10.1016/j.foodchem.2022.133800  0.177
2007 Simpson MJ, Simpson AJ, Gross D, Spraul M, Kingery WL. 1H and 19F nuclear magnetic resonance microimaging of water and chemical distribution in soil columns. Environmental Toxicology and Chemistry / Setac. 26: 1340-8. PMID 17665672 DOI: 10.1897/06-478R.1  0.176
2011 Giri J, Diallo MS, Simpson AJ, Liu Y, Goddard WA, Kumar R, Woods GC. Interactions of poly(amidoamine) dendrimers with human serum albumin: binding constants and mechanisms. Acs Nano. 5: 3456-68. PMID 21438566 DOI: 10.1021/Nn1021007  0.175
2017 Kelleher BP, Flanagan PV, Hart KM, Simpson AJ, Oppenheimer SF, Murphy BT, O'Reilly SS, Jordan SF, Grey A, Ibrahim A, Allen CCR. Large perturbations in CO2 flux and subsequent chemosynthesis are induced in agricultural soil by the addition of elemental sulfur. Scientific Reports. 7: 4732. PMID 28680102 DOI: 10.1038/s41598-017-04934-9  0.175
2013 McKelvie JR, Whitfield Ã…slund M, Celejewski MA, Simpson AJ, Simpson MJ. Reduction in the earthworm metabolomic response after phenanthrene exposure in soils with high soil organic carbon content. Environmental Pollution (Barking, Essex : 1987). 175: 75-81. PMID 23337355 DOI: 10.1016/J.Envpol.2012.12.018  0.175
2019 Lane D, Soong R, Bermel W, Ning P, Dutta Majumdar R, Tabatabaei-Anaraki M, Heumann H, Gundy M, Bönisch H, Liaghati Mobarhan Y, Simpson MJ, Simpson AJ. Selective Amino Acid-Only in Vivo NMR: A Powerful Tool To Follow Stress Processes. Acs Omega. 4: 9017-9028. PMID 31459990 DOI: 10.1021/acsomega.9b00931  0.175
2012 Yuk J, Simpson MJ, Simpson AJ. Coelomic fluid: a complimentary biological medium to assess sub-lethal endosulfan exposure using ¹H NMR-based earthworm metabolomics. Ecotoxicology (London, England). 21: 1301-13. PMID 22451197 DOI: 10.1007/S10646-012-0884-5  0.175
2005 Bialk HM, Simpson AJ, Pedersen JA. Cross-coupling of sulfonamide antimicrobial agents with model humic constituents. Environmental Science & Technology. 39: 4463-73. PMID 16047782 DOI: 10.1021/Es0500916  0.174
2011 Song G, Hayes MH, Novotny EH, Simpson AJ. Isolation and fractionation of soil humin using alkaline urea and dimethylsulphoxide plus sulphuric acid. Die Naturwissenschaften. 98: 7-13. PMID 21104221 DOI: 10.1007/s00114-010-0733-4  0.174
2003 Diallo MS, Simpson A, Gassman P, Faulon JL, Johnson JH, Goddard WA, Hatcher PG. 3-D structural modeling of humic acids through experimental characterization, computer assisted structure elucidation and atomistic simulations. 1. Chelsea soil humic acid. Environmental Science & Technology. 37: 1783-93. PMID 12775049 DOI: 10.1021/Es0259638  0.171
2010 McKelvie JR, Wolfe DM, Celejewski M, Simpson AJ, Simpson MJ. Correlations of Eisenia fetida metabolic responses to extractable phenanthrene concentrations through time. Environmental Pollution (Barking, Essex : 1987). 158: 2150-7. PMID 20338675 DOI: 10.1016/J.Envpol.2010.02.022  0.171
2021 Li X, Chevez T, De Silva AO, Muir DCG, Kleywegt S, Simpson A, Simpson MJ, Jobst KJ. Which of the (Mixed) Halogenated n-Alkanes Are Likely To Be Persistent Organic Pollutants? Environmental Science & Technology. 55: 15912-15920. PMID 34802231 DOI: 10.1021/acs.est.1c05465  0.169
2021 Oliveira Pereira EA, Labine LM, Kleywegt S, Jobst KJ, Simpson AJ, Simpson MJ. Metabolomics Reveals That Bisphenol Pollutants Impair Protein Synthesis-Related Pathways in . Metabolites. 11. PMID 34677381 DOI: 10.3390/metabo11100666  0.169
2022 Labine LM, Oliveira Pereira EA, Kleywegt S, Jobst KJ, Simpson AJ, Simpson MJ. Sub-lethal Exposure of Per- and Polyfluoroalkyl Substances (PFAS) of Varying Chain Length and Polar Functionality Results in Distinct Metabolic Responses in Daphnia magna. Environmental Toxicology and Chemistry. PMID 36345965 DOI: 10.1002/etc.5517  0.165
2011 Simpson AJ, McNally DJ, Simpson MJ. NMR spectroscopy in environmental research: from molecular interactions to global processes. Progress in Nuclear Magnetic Resonance Spectroscopy. 58: 97-175. PMID 21397118 DOI: 10.1016/J.Pnmrs.2010.09.001  0.163
2003 Deshmukh AP, Simpson AJ, Hatcher PG. Evidence for cross-linking in tomato cutin using HR-MAS NMR spectroscopy. Phytochemistry. 64: 1163-70. PMID 14568084 DOI: 10.1016/S0031-9422(03)00505-3  0.163
2017 Mobarhan YL, Struppe J, Fortier-McGill B, Simpson AJ. Effective combined water and sideband suppression for low-speed tissue and in vivo MAS NMR. Analytical and Bioanalytical Chemistry. PMID 28646299 DOI: 10.1007/s00216-017-0450-3  0.163
2015 Masoom H, Courtier-Murias D, Soong R, Maas WE, Fey M, Kumar R, Monette M, Stronks HJ, Simpson MJ, Simpson AJ. From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR. Environmental Science & Technology. PMID 26579583 DOI: 10.1021/Acs.Est.5B03251  0.162
2010 D'eon JC, Simpson AJ, Kumar R, Baer AJ, Mabury SA. Determining the molecular interactions of perfluorinated carboxylic acids with human sera and isolated human serum albumin using nuclear magnetic resonance spectroscopy. Environmental Toxicology and Chemistry / Setac. 29: 1678-88. PMID 20821619 DOI: 10.1002/etc.204  0.162
2022 MacNeil A, Li X, Amiri R, Muir DCG, Simpson A, Simpson MJ, Dorman FL, Jobst KJ. Gas Chromatography-(Cyclic) Ion Mobility Mass Spectrometry: A Novel Platform for the Discovery of Unknown Per-/Polyfluoroalkyl Substances. Analytical Chemistry. PMID 35912800 DOI: 10.1021/acs.analchem.2c02325  0.161
2011 Pautler BG, Simpson AJ, Simpson MJ, Tseng LH, Spraul M, Dubnick A, Sharp MJ, Fitzsimons SJ. 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. 45: 4710-7. PMID 21542577 DOI: 10.1021/Es200697C  0.16
2016 Wagner ND, Simpson AJ, Simpson MJ. Metabolomic responses to sub-lethal contaminant exposure in neonate and adult Daphnia magna. Environmental Toxicology and Chemistry / Setac. PMID 27571995 DOI: 10.1002/Etc.3604  0.158
2022 Steeves KL, Bissram MJ, Kleywegt S, Stevens D, Dorman FL, Simpson AJ, Simpson MJ, Cahill LS, Jobst KJ. Nontargeted screening reveals fluorotelomer ethoxylates in indoor dust and industrial wastewater. Environment International. 171: 107634. PMID 36459821 DOI: 10.1016/j.envint.2022.107634  0.156
2016 Masoom H, Courtier-Murias D, Farooq H, Soong R, Kelleher BP, Zhang C, Maas WE, Fey M, Kumar R, Monette M, Stronks HJ, Simpson MJ, Simpson AJ. Soil organic matter in its native state: unravelling the most complex biomaterial on Earth. Environmental Science & Technology. PMID 26783947 DOI: 10.1021/Acs.Est.5B03410  0.156
2014 Soong R, Nagato E, Sutrisno A, Fortier-McGill B, Akhter M, Schmidt S, Heumann H, Simpson AJ. In vivo NMR spectroscopy: toward real time monitoring of environmental stress. Magnetic Resonance in Chemistry : Mrc. PMID 25296400 DOI: 10.1002/Mrc.4154  0.154
2015 Fugariu I, Fortier-McGill B, Soong R, Sutrisno A, Simpson AJ. Doubling sensitivity in solids NMR: a simple and economical procedure for compressing samples. Magnetic Resonance in Chemistry : Mrc. PMID 25589502 DOI: 10.1002/Mrc.4184  0.153
2012 Whitfield Ã…slund M, Simpson MJ, Simpson AJ, Zeeb BA, Rutter A. Earthworm metabolomic responses after exposure to aged PCB contaminated soils. Ecotoxicology (London, England). 21: 1947-56. PMID 22623111 DOI: 10.1007/S10646-012-0928-X  0.152
2022 Labine LM, Oliveira Pereira EA, Kleywegt S, Jobst KJ, Simpson AJ, Simpson MJ. Comparison of sub-lethal metabolic perturbations of select legacy and novel perfluorinated alkyl substances (PFAS) in Daphnia magna. Environmental Research. 212: 113582. PMID 35661729 DOI: 10.1016/j.envres.2022.113582  0.145
2014 Simpson AJ, Liaghati Y, Fortier-McGill B, Soong R, Akhter M. Perspective: in vivo NMR - a potentially powerful tool for environmental research. Magnetic Resonance in Chemistry : Mrc. PMID 25228307 DOI: 10.1002/Mrc.4142  0.144
2008 Shirzadi A, Simpson MJ, Kumar R, Baer AJ, Xu Y, Simpson AJ. Molecular interactions of pesticides at the soil-water interface. Environmental Science & Technology. 42: 5514-20. PMID 18754469 DOI: 10.1021/Es800115B  0.143
2015 Wagner ND, Lankadurai BP, Simpson MJ, Simpson AJ, Frost PC. Metabolomic differentiation of nutritional stress in an aquatic invertebrate. Physiological and Biochemical Zoology : Pbz. 88: 43-52. PMID 25590592 DOI: 10.1086/679637  0.14
2008 Shirzadi A, Simpson MJ, Xu Y, Simpson AJ. Application of saturation transfer double difference NMR to elucidate the mechanistic interactions of pesticides with humic acid. Environmental Science & Technology. 42: 1084-90. PMID 18351076 DOI: 10.1021/Es7024356  0.139
2015 Nagato EG, Simpson AJ, Simpson MJ. Metabolomics reveals energetic impairments in Daphnia magna exposed to diazinon, malathion and bisphenol-A. Aquatic Toxicology (Amsterdam, Netherlands). 170: 175-186. PMID 26655661 DOI: 10.1016/J.Aquatox.2015.11.023  0.134
2013 Cottrell BA, Timko SA, Devera L, Robinson AK, Gonsior M, Vizenor AE, Simpson AJ, Cooper WJ. Photochemistry of excited-state species in natural waters: a role for particulate organic matter. Water Research. 47: 5189-99. PMID 23863383 DOI: 10.1016/j.watres.2013.05.059  0.132
2010 Brown SA, McKelvie JR, Simpson AJ, Simpson MJ. 1H NMR metabolomics of earthworm exposure to sub-lethal concentrations of phenanthrene in soil. Environmental Pollution (Barking, Essex : 1987). 158: 2117-23. PMID 20338676 DOI: 10.1016/J.Envpol.2010.02.023  0.132
2019 Dani VD, Lankadurai BP, Nagato EG, Simpson AJ, Simpson MJ. Comparison of metabolomic responses of earthworms to sub-lethal imidacloprid exposure in contact and soil tests. Environmental Science and Pollution Research International. PMID 31065987 DOI: 10.1007/S11356-019-05302-Y  0.128
2013 Whitfield Ã…slund M, Stephenson GL, Simpson AJ, Simpson MJ. Comparison of earthworm responses to petroleum hydrocarbon exposure in aged field contaminated soil using traditional ecotoxicity endpoints and 1H NMR-based metabolomics. Environmental Pollution (Barking, Essex : 1987). 182: 263-8. PMID 23938450 DOI: 10.1016/J.Envpol.2013.07.026  0.128
2013 Longstaffe JG, Courtier-Murias D, Simpson AJ. The pH-dependence of organofluorine binding domain preference in dissolved humic acid. Chemosphere. 90: 270-5. PMID 22863060 DOI: 10.1016/j.chemosphere.2012.07.004  0.122
2023 Downey K, Michal CA, Bermel W, Jenne A, Soong R, Decker V, Busse F, Goerling B, Heumann H, Boenisch H, Gundy M, Simpson A. Targeted Compound Selection with Increased Sensitivity in C-Enriched Biological and Environmental Samples Using C-DREAMTIME in Both High-Field and Low-Field NMR. Analytical Chemistry. 95: 6709-6717. PMID 37037008 DOI: 10.1021/acs.analchem.3c00445  0.12
2023 Song G, Simpson AJ, Hayes MHB. Compositional changes in the humin fraction resulting from the long-term cultivation of an Irish grassland soil: Evidence from FTIR and multi-NMR spectroscopies. The Science of the Total Environment. 880: 163280. PMID 37028664 DOI: 10.1016/j.scitotenv.2023.163280  0.12
2023 Jenne A, von der Ecken S, Moxley-Paquette V, Soong R, Swyer I, Bastawrous M, Busse F, Bermel W, Schmidig D, Kuehn T, Kuemmerle R, Al Adwan-Stojilkovic D, Graf S, Frei T, Monette M, ... ... Simpson AJ, et al. Integrated Digital Microfluidics NMR Spectroscopy: A Key Step toward Automated In Vivo Metabolomics. Analytical Chemistry. 95: 5858-5866. PMID 36996326 DOI: 10.1021/acs.analchem.2c04201  0.12
2023 D'eon JC, Lankadurai BP, Simpson AJ, Reiner EJ, Poirier DG, Vanlerberghe GC, Simpson MJ. Cross-Platform Comparison of Amino Acid Metabolic Profiling in Three Model Organisms Used in Environmental Metabolomics. Metabolites. 13. PMID 36984842 DOI: 10.3390/metabo13030402  0.12
2023 Lysak DH, Kock FVC, Mamone S, Soong R, Glöggler S, Simpson AJ. singlet state filtered nuclear magnetic resonance: towards monitoring toxic responses inside living organisms. Chemical Science. 14: 1413-1418. PMID 36794179 DOI: 10.1039/d2sc06624f  0.12
2018 Bastawrous M, Jenne A, Tabatabaei Anaraki M, Simpson AJ. In-Vivo NMR Spectroscopy: A Powerful and Complimentary Tool for Understanding Environmental Toxicity. Metabolites. 8. PMID 29795000 DOI: 10.3390/metabo8020035  0.12
2017 Silva LMA, Alves Filho EG, Simpson AJ, Monteiro MR, Cabral E, Ifa D, Venâncio T. DESI-MS imaging and NMR spectroscopy to investigate the influence of biodiesel in the structure of commercial rubbers. Talanta. 173: 22-27. PMID 28602187 DOI: 10.1016/j.talanta.2017.05.060  0.12
2009 Lam B, Simpson AJ. Investigating aggregation in Suwannee River, U.S.A., dissolved organic matter using diffusion-ordered nuclear magnetic resonance spectroscopy. Environmental Toxicology and Chemistry. 28: 931-9. PMID 19102581 DOI: 10.1897/08-441.1  0.12
2007 Lam B, Simpson AJ. Direct (1)H NMR spectroscopy of dissolved organic matter in natural waters. The Analyst. 133: 263-9. PMID 18227951 DOI: 10.1039/b713457f  0.12
2007 Lam B, Simpson AJ. Passive sampler for dissolved organic matter in freshwater environments. Analytical Chemistry. 78: 8194-9. PMID 17165807 DOI: 10.1021/ac0608523  0.12
2007 Kelleher BP, Simpson AJ. Humic substances in soils: are they really chemically distinct? Environmental Science & Technology. 40: 4605-11. PMID 16913113 DOI: 10.1021/es0608085  0.12
2012 Simpson MJ, Simpson AJ. The chemical ecology of soil organic matter molecular constituents. Journal of Chemical Ecology. 38: 768-84. PMID 22549555 DOI: 10.1007/S10886-012-0122-X  0.119
2006 Drori Y, Lam B, Simpson A, Aizenshtat Z, Chefetz B. The role of lipids on sorption characteristics of freshwater- and wastewater-irrigated soils. Journal of Environmental Quality. 35: 2154-61. PMID 17071884 DOI: 10.2134/Jeq2006.0013  0.116
2021 Li X, Dorman FL, Helm PA, Kleywegt S, Simpson A, Simpson MJ, Jobst KJ. Nontargeted Screening Using Gas Chromatography-Atmospheric Pressure Ionization Mass Spectrometry: Recent Trends and Emerging Potential. Molecules (Basel, Switzerland). 26. PMID 34834002 DOI: 10.3390/molecules26226911  0.11
2007 Simpson AJ, Simpson MJ, Smith E, Kelleher BP. Microbially derived inputs to soil organic matter: are current estimates too low? Environmental Science & Technology. 41: 8070-6. PMID 18186339 DOI: 10.1021/Es071217X  0.1
2020 Tian Z, Zhao H, Peter KT, Gonzalez M, Wetzel J, Wu C, Hu X, Prat J, Mudrock E, Hettinger R, Cortina AE, Biswas RG, Kock FVC, Soong R, Jenne A, ... ... Simpson A, et al. A ubiquitous tire rubber-derived chemical induces acute mortality in coho salmon. Science (New York, N.Y.). PMID 33273063 DOI: 10.1126/science.abd6951  0.088
2016 Santos AD, Bliumkin L, Masoom H, Soong R, Barison A, Simpson AJ. Spectral background from commercially available D2 O: an important consideration for trace analysis using cryoprobes. Magnetic Resonance in Chemistry : Mrc. 54: 377-81. PMID 26858015 DOI: 10.1002/Mrc.4410  0.083
2022 Aghaei Z, Mercer GV, Schneider CM, Sled JG, Macgowan CK, Baschat AA, Kingdom JC, Helm PA, Simpson AJ, Simpson MJ, Jobst KJ, Cahill LS. Maternal exposure to polystyrene microplastics alters placental metabolism in mice. Metabolomics : Official Journal of the Metabolomic Society. 19: 1. PMID 36538272 DOI: 10.1007/s11306-022-01967-8  0.074
2022 Schneider CM, Steeves KL, Mercer GV, George H, Paranavitana L, Simpson MJ, Simpson AJ, Cahill LS. Placental metabolite profiles in late gestation for healthy mice. Metabolomics : Official Journal of the Metabolomic Society. 18: 10. PMID 34993719 DOI: 10.1007/s11306-021-01868-2  0.063
2012 Pampalon R, Hamel D, Gamache P, Philibert MD, Raymond G, Simpson A. An area-based material and social deprivation index for public health in Québec and Canada Canadian Journal of Public Health. 103: S17-S22. PMID 23618066 DOI: 10.17269/Cjph.103.3156  0.046
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