Dr Saer Samanipour
Honorary Associate Professor
School of Pharmacy and Pharmaceutical Sciences
Journal Articles
Hulleman, Tobias, Samanipour, Saer, Haddad, Paul R., Rauert, Cassandra, Okoffo, Elvis D., Thomas, Kevin V. and O’Brien, Jake W. (2025). Machine learning for predicting environmental mobility based on retention behavior. Environmental Science and Technology, 59 (43) acs.est.5c07274, 23339-23348. doi: 10.1021/acs.est.5c07274
Turkina, Viktoriia, Gringhuis, Jelle T., Boot, Sanne, Petrignani, Annemieke, Corthals, Garry, Praetorius, Antonia, O’Brien, Jake W. and Samanipour, Saer (2025). Prioritization of unknown LC-HRMS features based on predicted toxicity categories. Environmental Science and Technology, 59 (16), 8004-8015. doi: 10.1021/acs.est.4c13026
Ciccarelli, Davide, Samanipour, Saer, Rapp-Wright, Helena, Bieber, Stefan, Letzel, Thomas, O’Brien, Jake W., Marczylo, Tim, Gant, Timothy W., Vineis, Paolo and Barron, Leon P. (2025). Bridging knowledge gaps in human chemical exposure via drinking water with non-target screening. Critical Reviews in Environmental Science and Technology, 55 (3), 190-214. doi: 10.1080/10643389.2024.2396690
Bonetti, Jennifer L., Kranenburg, Ruben F., Hokanson, Stephen, Pothier, Matthew, Samanipour, Saer and van Asten, Arian C. (2024). Improved differentiation of NPS analogs through the application of chemometric methods to GC-solid deposition-FTIR spectra. Forensic Chemistry, 41 100619, 1-14. doi: 10.1016/j.forc.2024.100619
Renai, Lapo, Del Bubba, Massimo, Gargano, Andrea F.G. and Samanipour, Saer (2024). Consolidating two-dimensional liquid chromatography–high-resolution tandem mass spectrometry (LC×LC-HRMS/MS) technique for the non-targeted analysis of poly- and perfluorinated substances: A trial on aqueous film-forming foams. Science of the Total Environment, 952 175908, 175908. doi: 10.1016/j.scitotenv.2024.175908
Samanipour, Saer, Barron, Leon Patrick, van Herwerden, Denice, Praetorius, Antonia, Thomas, Kevin V. and O’Brien, Jake William (2024). Exploring the chemical space of the exposome: how far have we gone?. JACS Au, 4 (7), 2412-2425. doi: 10.1021/jacsau.4c00220
Boelrijk, Jim, van Herwerden, Denice, Ensing, Bernd, Forré, Patrick and Samanipour, Saer (2023). Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of Cheminformatics, 15 (1) 28, 28. doi: 10.1186/s13321-023-00699-8
Hulleman, Tobias, Turkina, Viktoriia, O’Brien, Jake W., Chojnacka, Aleksandra, Thomas, Kevin V. and Samanipour, Saer (2023). Critical assessment of the chemical space covered by LC–HRMS non-targeted analysis. Environmental Science and Technology, 57 (38), 14101-14112. doi: 10.1021/acs.est.3c03606
Dewapriya, Pradeep, Nilsson, Sandra, Ghorbani Gorji, Sara, O’Brien, Jake W., Bräunig, Jennifer, Gómez Ramos, María José, Donaldson, Eric, Samanipour, Saer, Martin, Jonathan W., Mueller, Jochen F., Kaserzon, Sarit L. and Thomas, Kevin V. (2023). Novel per- and polyfluoroalkyl substances discovered in cattle exposed to AFFF-impacted groundwater. Environmental Science and Technology, 57 (36), 13635-13645. doi: 10.1021/acs.est.3c03852
van Herwerden, Denice, O’Brien, Jake W., Lege, Sascha, Pirok, Bob W. J., Thomas, Kevin V. and Samanipour, Saer (2023). Cumulative neutral loss model for fragment deconvolution in electrospray ionization high-resolution mass spectrometry data. Analytical Chemistry, 95 (33), 12247-12255. doi: 10.1021/acs.analchem.3c00896
Feraud, Mathieu, O’Brien, Jake W., Samanipour, Saer, Dewapriya, Pradeep, van Herwerden, Denice, Kaserzon, Sarit, Wood, Ian, Rauert, Cassandra and Thomas, Kevin V. (2023). InSpectra – A Platform for Identifying Emerging Chemical Threats. Journal of Hazardous Materials, 455 131486, 1-15. doi: 10.1016/j.jhazmat.2023.131486
Ahmed, Fahad, Tscharke, Benjamin, O’Brien, Jake W., Hall, Wayne D., Cabot, Peter J., Sowa, P. Marcin, Samanipour, Saer and Thomas, Kevin V. (2023). National wastewater reconnaissance of analgesic consumption in Australia. Environmental Science and Technology, 57 (4), 1712-1720. doi: 10.1021/acs.est.2c06691
Samanipour, Saer, O’Brien, Jake W., Reid, Malcolm J., Thomas, Kevin V. and Praetorius, Antonia (2022). From molecular descriptors to intrinsic fish toxicity of chemicals: An alternative approach to chemical prioritization. Environmental Science and Technology, 57 (46), 17950-17958. doi: 10.1021/acs.est.2c07353
Rødland, Elisabeth S., Samanipour, Saer, Rauert, Cassandra, Okoffo, Elvis D., Reid, Malcom J., Heier, Lene S., Lind, Ole Christian, Thomas, Kevin V. and Meland, Sondre (2022). A novel method for the quantification of tire and polymer-modified bitumen particles in environmental samples by pyrolysis gas chromatography mass spectroscopy. Journal of Hazardous Materials, 423 (Pt A) 127092, 127092. doi: 10.1016/j.jhazmat.2021.127092
van Herwerden, Denice, O'Brien, Jake W., Choi, Phil M., Thomas, Kevin V., Schoenmakers, Peter J. and Samanipour, Saer (2022). Naive Bayes classification model for isotopologue detection in LC-HRMS data. Chemometrics and Intelligent Laboratory Systems, 223 104515, 104515. doi: 10.1016/j.chemolab.2022.104515
Shimko, Katja M., O’Brien, Jake W., Li, Jiaying, Tscharke, Benjamin J., Brooker, Lance, Thai, Phong K., Choi, Phil M., Samanipour, Saer and Thomas, Kevin V. (2022). In-sewer stability assessment of anabolic steroids and selective androgen receptor modulators. Environmental Science and Technology, 56 (3) acs.est.1c03047, 1627-1638. doi: 10.1021/acs.est.1c03047
Samanipour, Saer, Choi, Phil, O’Brien, Jake W., Pirok, Bob W. J., Reid, Malcolm J. and Thomas, Kevin V. (2021). From centroided to profile mode: machine learning for prediction of peak width in HRMS data. Analytical Chemistry, 93 (49), 16562-16570. doi: 10.1021/acs.analchem.1c03755
Ahmed, Fahad, Li, Jiaying, O'Brien, Jake W., Tscharke, Benjamin J., Samanipour, Saer, Thai, Phong K., Yuan, Zhiguo, Mueller, Jochen F. and Thomas, Kevin V. (2021). In-sewer stability of selected analgesics and their metabolites. Water Research, 204 117647, 117647. doi: 10.1016/j.watres.2021.117647
Dessì, Claudia, Okoffo, Elvis D., O’Brien, Jake W., Gallen, Michael, Samanipour, Saer, Kaserzon, Sarit, Rauert, Cassandra, Wang, Xianyu and Thomas, Kevin V. (2021). Plastics contamination of store-bought rice. Journal of Hazardous Materials, 416 125778, 1-10. doi: 10.1016/j.jhazmat.2021.125778
Ribeiro, Francisca, Okoffo, Elvis D., O’Brien, Jake W., O’Brien, Stacey, Harris, Jonathan M., Samanipour, Saer, Kaserzon, Sarit, Mueller, Jochen F., Galloway, Tamara and Thomas, Kevin V. (2021). Out of sight but not out of mind: size fractionation of plastics bioaccumulated by field deployed oysters. Journal of Hazardous Materials Letters, 2 100021, 100021. doi: 10.1016/j.hazl.2021.100021
O'Brien, Stacey, Okoffo, Elvis D., O'Brien, Jake W., Ribeiro, Francisca, Wang, Xianyu, Wright, Stephanie L., Samanipour, Saer, Rauert, Cassandra, Toapanta, Tania Yessenia Alajo, Albarracin, Rizsa and Thomas, Kevin V. (2020). Airborne emissions of microplastic fibres from domestic laundry dryers. Science of the Total Environment, 747 141175, 1-6. doi: 10.1016/j.scitotenv.2020.141175
Ribeiro, Francisca, Okoffo, Elvis D., O’Brien, Jake W., Fraissinet-Tachet, Sarah, O’Brien, Stacey, Gallen, Michael, Samanipour, Saer, Kaserzon, Sarit, Mueller, Jochen F., Galloway, Tamara and Thomas, Kevin V. (2020). Response to comment on “Quantitative analysis of selected plastics in high-commercial-value Australian seafood by pyrolysis gas chromatography mass spectrometry”. Environmental Science and Technology, 54 (23), 15556-15557. doi: 10.1021/acs.est.0c07097
Ribeiro, Francisca, Okoffo, Elvis D., O’Brien, Jake W., Fraissinet-Tachet, Sarah, O’Brien, Stacey, Gallen, Michael, Samanipour, Saer, Kaserzon, Sarit, Mueller, Jochen F., Galloway, Tamara and Thomas, Kevin V. (2020). Correction to Quantitative Analysis of Selected Plastics in High-Commercial-Value Australian Seafood by Pyrolysis Gas Chromatography Mass Spectrometry. Environmental Science & Technology, 54 (20), 13364-13364. doi: 10.1021/acs.est.0c05885
Ribeiro, Francisca, Okoffo, Elvis D., O'Brien, Jake W., Fraissinet-Tachet, Sarah, O'Brien, Stacey, Gallen, Michael, Samanipour, Saer, Kaserzon, Sarit, Mueller, Jochen F., Galloway, Tamara and Thomas, Kevin V. (2020). Quantitative Analysis of Selected Plastics in High-Commercial-Value Australian Seafood by Pyrolysis Gas Chromatography Mass Spectrometry. Environmental Science & Technology, 54 (15) acs.est.0c02337, 9408-9417. doi: 10.1021/acs.est.0c02337
Choi, Phil M., O’Brien, Jake W., Tscharke, Ben J., Mueller, Jochen F., Thomas, Kevin V. and Samanipour, Saer (2020). Population socioeconomics predicted using wastewater. Environmental Science and Technology Letters, 7 (8) acs.estlett.0c00392, 567-572. doi: 10.1021/acs.estlett.0c00392
Samanipour, Saer, O’Brien, Jake W., Reid, Malcolm J. and Thomas, Kevin V. (2019). Self adjusting algorithm for the nontargeted feature detection of high resolution mass spectrometry coupled with liquid chromatography profile data. Analytical Chemistry, 91 (16) acs.analchem.9b02422, 10800-10807. doi: 10.1021/acs.analchem.9b02422
Samanipour, Saer, Martin, Jonathan W., Lamoree, Marja H., Reid, Malcolm J. and Thomas, Kevin V. (2019). Letter to the editor: Optimism for nontarget analysis in environmental chemistry. Environmental Science & Technology, 53 (10) acs.est.9b01476, 5529-5530. doi: 10.1021/acs.est.9b01476
Samanipour, Saer, Kaserzon, Sarit, Vijayasarathy, Soumini, Jiang, Hui, Choi, Phil, Reid, Malcolm J., Mueller, Jochen F. and Thomas, Kevin V. (2019). Machine learning combined with non-targeted LC-HRMS analysis for a risk warning system of chemical hazards in drinking water: A proof of concept. Talanta, 195, 426-432. doi: 10.1016/j.talanta.2018.11.039
Gallen, C., Heffernan, A. L., Kaserzon, S., Dogruer, G., Samanipour, S., Gomez-Ramos, M. J. and Mueller, J. F. (2019). Integrated chemical exposure assessment of coastal green turtle foraging grounds on the Great Barrier Reef. Science of The Total Environment, 657, 401-409. doi: 10.1016/j.scitotenv.2018.11.322
Conference Paper
Dewapriya, Pradeep, Jeon, Youngjoon, Feraud, Mathieu, O'Brien, Jake, Gorji, Sara Ghorbani, Samanipour, Saer, Kaserzon, Sarit and Thomas, Kevin (2021). A global emerging contaminant early warning exercise through the use of retrospective suspect screening with high-resolution mass spectrometry. Society of Environmental Toxicology and Chemistry Australasia Conference, Melbourne, VIC Australia, 3 August-2 September 2021.
Research Reports
Kaserzon, Sarit, Thompson, Kristie, Paxman, Chris, Gallen, Christie, Elisei, Gabriele, Mackie, Rachel, Gallen, Michael, Reeks, Tim, Jiang, Hui, Eaglesham, Geoff, Samanipour, Saer and Mueller, Jochen (2018). Catchment and Drinking Water Quality Micro Pollutant Monitoring Program – Passive Sampling. Report 7 – Winter 2017. Woolloongabba, QLD, Australia: Queensland Alliance for Environmental Health Sciences.
Grant, S., Thompson, K., Paxman, C., Elisei, G., Gallen, C., Tracey, D., Kaserzon, S., Jiang, H., Samanipour, S. and Mueller, J. F. (2018). Annual Report for inshore pesticide monitoring 2016-2017. Townsville, QLD Australia: Great Barrier Reef Marine Park Authority.