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Van 't Hoff Institute for Molecular Sciences null

Dr. S. (Saer) Samanipour

Faculty of Science
Van 't Hoff Institute for Molecular Sciences
Visiting address
  • Science Park 904
  • Room number: C.259
Postal address
  • Postbus 94157
    1090 GD Amsterdam
Contact details
  • Publications

    2023

    • Ahmed, F., Tscharke, B., O’Brien, J. W., Hall, W. D., Cabot, P. J., Sowa, P. M., Samanipour, S., & Thomas, K. V. (2023). National Wastewater Reconnaissance of Analgesic Consumption in Australia. Environmental Science and Technology, 57(4), 1712-1720. https://doi.org/10.1021/acs.est.2c06691
    • Alonso, L. L., Slagboom, J., Casewell, N. R., Samanipour, S., & Kool, J. (2023). Metabolome-Based Classification of Snake Venoms by Bioinformatic Tools. Toxins, 15(2). https://doi.org/10.3390/toxins15020161
    • Boelrijk, J., van Herwerden, D., Ensing, B., Forré, P., & Samanipour, S. (2023). Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of Cheminformatics, 15(1), 28. https://doi.org/10.1186/s13321-023-00699-8
    • Bonetti, J. L., Kranenburg, R. F., Schoonderwoerd, E., Samanipour, S., & van Asten, A. C. (2023). Instrument-independent chemometric models for rapid, calibration-free NPS isomer differentiation from mass spectral GC-MS data. Forensic Science International, [111650]. https://doi.org/10.1016/j.forsciint.2023.111650
    • Feraud, M., O'Brien, J. W., Samanipour, S., Dewapriya, P., van Herwerden, D., Kaserzon, S., Wood, I., Rauert, C., & Thomas, K. V. (2023). InSpectra - A platform for identifying emerging chemical threats. Journal of Hazardous Materials, 455, 131486. https://doi.org/10.1016/j.jhazmat.2023.131486

    2022

    2021

    2020

    • Ahmed, F., Tscharke, B., O'Brien, J., Thompson, J., Samanipour, S., Choi, P., Li, J., Mueller, J. F., & Thomas, K. (2020). Wastewater-based estimation of the prevalence of gout in Australia. Science of the Total Environment, 715. https://doi.org/10.1016/j.scitotenv.2020.136925
    • Choi, P. M., O'Brien, J. W., Tscharke, B. J., Mueller, J. F., Thomas, K. V., & Samanipour, S. (2020). Population Socioeconomics Predicted Using Wastewater. Environmental Science and Technology, 7(8), 567–572. https://doi.org/10.1021/acs.estlett.0c00392 [details]
    • Dulio, V., Koschorreck, J., van Bavel, B., van den Brink, P., Hollender, J., Munthe, J., Schlabach, M., Aalizadeh, R., Agerstrand, M., Ahrens, L., Allan, I., Alygizakis, N., Barcelo’, D., Bohlin-Nizzetto, P., Boutroup, S., Brack, W., Bressy, A., Christensen, J. H., Cirka, L., ... Slobodnik, J. (2020). The NORMAN Association and the European Partnership for Chemicals Risk Assessment (PARC): let’s cooperate! Environmental Sciences Europe, 32, [100]. https://doi.org/10.1186/s12302-020-00375-w
    • O'Brien, S., Okoffo, E. D., O'Brien, J., Ribeiro, F., Wang, X., Wright, S. L., Samanipour, S., Rauert, C., Toapanta, T. Y. A., Albarracin, R., & Thomas, K. V. (2020). Airborne emissions of microplastic fibres from domestic laundry dryers. Science of the Total Environment, 747, [141175]. https://doi.org/10.1016/j.scitotenv.2020.141175 [details]
    • Okoffo, E. D., Ribeiro, F., O'Brien, J. W., O'Brien, S., Tscharke, B. J., Gallen, M., Samanipour, S., Mueller, J. F., & Thomas V, K. (2020). Identification and quantification of selected plastics in biosolids by pressurized liquid extraction combined with double-shot pyrolysis gas chromatography-mass spectrometry. Science of the Total Environment, 715. https://doi.org/10.1016/j.scitotenv.2020.136924
    • Ribeiro, F., Okoffo, E. D., O'Brien, J. W., Fraissinet-Tachet, S., O'Brien, S., Gallen, M., Samanipour, S., Kaserzon, S., Mueller, J. F., Galloway, T., & Thomas, K. V. (2020). Erratum: Quantitative Analysis of Selected Plastics in High-Commercial-Value Australian Seafood by Pyrolysis Gas Chromatography Mass Spectrometry (Environ. Sci. Technol. (2020) 54: 15 (9408−9417) DOI: 10.1021/acs.est.0c02337). Environmental Science and Technology, 54(20), 13364. https://doi.org/10.1021/acs.est.0c05885
    • Ribeiro, F., Okoffo, E. D., O'Brien, J. W., Fraissinet-Tachet, S., O'Brien, S., Gallen, M., Samanipour, S., Kaserzon, S., Mueller, J. F., Galloway, T., & Thomas, K. V. (2020). Quantitative analysis of selected plastics in high commercial value Australian seafood by Pyrolysis Gas Chromatography Mass Spectrometry. Environmental Science and Technology, 54(15), 9408–9417. https://doi.org/10.1021/acs.est.0c02337 [details]
    • Samanipour, S., Reid, M. J., Rundberget, J. T., Frost, T. K., & Thomas V, K. (2020). Concentration and Distribution of Naphthenic Acids in the Produced Water from Offshore Norwegian North Sea Oilfields. Environmental Science and Technology, 54(5), 2707-2714. https://doi.org/10.1021/acs.est.9b05784
    • Schulze, B., Jeon, Y., Kaserzon, S., Heffernan, A. L., Dewapriya, P., O'Brien, J., Gomez Ramos , M. J., Ghorbani Gorji, S., Mueller, J. F., Thomas, K. V., & Samanipour, S. (2020). An assessment of Quality Assurance/Quality Control Efforts in High Resolution Mass Spectrometry Non-Target Workflows for Analysis of Environmental Samples. TrAC Trends in Analytical Chemistry, 133, [116063]. https://doi.org/10.1016/j.trac.2020.116063 [details]

    2019

    • Choi, P. M., Tscharke, B., Samanipour, S., Hall, W. D., Gartner, C. E., Mueller, J. F., Thomas, K. V., & O'Brien, J. W. (2019). Social, demographic, and economic correlates of food and chemical consumption measured by wastewater-based epidemiology. Proceedings of the National Academy of Sciences of the United States of America, 116(43), 21864-21873. https://doi.org/10.1073/pnas.1910242116
    • Gallen, C., Heffernan, A. L., Kaserzon, S., Dogruer, G., Samanipour, S., Gomez-Ramos, M. J., & 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. https://doi.org/10.1016/j.scitotenv.2018.11.322
    • Samanipour, S., Hooshyari, M., Baz-Lomba, J. A., Reid, M. J., Casale, M., & Thomas, K. V. (2019). The effect of extraction methodology on the recovery and distribution of naphthenic acids of oilfield produced water. Science of the Total Environment, 652, 1416-1423. https://doi.org/10.1016/j.scitotenv.2018.10.264
    • Samanipour, S., Kaserzon, S., Vijayasarathy, S., Jiang, H., Choi, P., Reid, M. J., ... Thomas, K. 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. https://doi.org/10.1016/j.talanta.2018.11.039
    • Samanipour, S., Martin, J. W., Lamoree, M. H., Reid, M. J., & Thomas, K. V. (2019). Letter to the Editor: Optimism for Nontarget Analysis in Environmental Chemistry. Environmental Science and Technology, 53(10), 5529-5530. https://doi.org/10.1021/acs.est.9b01476
    • Samanipour, S., O'Brien, J. W., Reid, M. J., & Thomas V, K. (2019). Self Adjusting Algorithm for the Nontargeted Feature Detection of High Resolution Mass Spectrometry Coupled with Liquid Chromatography Profile Data. Analytical Chemistry, 91(16), 10800-10807. https://doi.org/10.1021/acs.analchem.9b02422

    2018

    • Alyzakis, N. A., Samanipour, S., Hollender, J., Ibanez, M., Kaserzon, S., Kokkali, V., ... Thomas, K. V. (2018). Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry. Environmental Science and Technology, 52(9), 5135-5144. https://doi.org/10.1021/acs.est.8b00365
    • Samanipour, S., Baz-Lomba, J. A., Reid, M. J., Ciceri, E., Rowland, S., Nilsson, P., & Thomas, K. V. (2018). Assessing sample extraction efficiencies for the analysis of complex unresolved mixtures of organic pollutants: A comprehensive non-target approach. Analytica Chimica Acta, 1025, 92-98. https://doi.org/10.1016/j.aca.2018.04.020
    • Samanipour, S., Reid, M. J., Baek, K., & Thomas, K. V. (2018). Combining a Deconvolution and a Universal Library Search Algorithm for the Nontarget Analysis of Data-Independent Acquisition Mode Liquid Chromatography-High-Resolution Mass Spectrometry Results. Environmental Science and Technology, 52(8), 4694-4701. https://doi.org/10.1021/acs.est.8b00259

    2017

    • Samanipour, S., Baz-Lomba, J. A., Alygizakis, N. A., Reid, M. J., Thomaidis, N. S., & Thomas, K. V. (2017). Two stage algorithm vs commonly used approaches for the suspect screening of complex environmental samples analyzed via liquid chromatography high resolution time of flight mass spectroscopy: A test study. Journal of Chromatography A, 1501, 68-78. https://doi.org/10.1016/j.chroma.2017.04.040
    • Samanipour, S., Dimitriou-Christidis, P., Nabi, D., & Arey, J. S. (2017). Elevated Concentrations of 4-Bromobiphenyl and 1,3,5-Tribromobenzene Found in Deep Water of Lake Geneva Based on GCxGC-ENCI-TOFMS and GCxGC-mu ECD. ACS Omega, 2(2), 641-652. https://doi.org/10.1021/acsomega.6b00440
    • Samanipour, S., Reid, M. J., & Thomas, K. V. (2017). Statistical Variable Selection: An Alternative Prioritization Strategy during the Nontarget Analysis of LC-HR-MS Data. Analytical Chemistry, 89(10), 5585-5591. https://doi.org/10.1021/acs.analchem.7b00743

    2016

    • Samanipour, S., Langford, K., Reid, M. J., & Thomas, K. V. (2016). A two stage algorithm for target and suspect analysis of produced water via gas chromatography coupled with high resolution time of flight mass spectrometry. Journal of Chromatography A, 1463, 153-161. https://doi.org/10.1016/j.chroma.2016.07.076

    2015

    • Dimitriou-Christidis, P., Bonvin, A., Samanipour, S., Hollender, J., Rutler, R., Westphale, J., ... Arey, J. S. (2015). GCxGC Quantification of Priority and Emerging Nonpolar Halogenated Micropollutants in All Types of Wastewater Matrices: Analysis Methodology, Chemical Occurrence, and Partitioning. Environmental Science and Technology, 49(13), 7914-7925. https://doi.org/10.1021/es5049122
    • Samanipour, S., Dimitriou-Christidis, P., Gros, J., Grange, A., & Arey, J. S. (2015). Analyte quantification with comprehensive two-dimensional gas chromatography: Assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples. Journal of Chromatography A, 1375, 123-139. https://doi.org/10.1016/j.chroma.2014.11.049

    2009

    • Giovannetti, R., Alibabaei, L., & Samanipour, S. (2009). Structure investigations of binary azeotrope of diethyl amine-acetone by FT-IR and H-1 NMR spectroscopy. Spectrochimica acta. Part A: Molecular and biomolecular spectroscopy, 72(2), 390-393. https://doi.org/10.1016/j.saa.2008.10.008

    2020

    • Ribeiro, F., Okoffo, E. D., O'Brien, J. W., Fraissinet-Tachet, S., O'Brien, S., Gallen, M., Samanipour, S., Kaserzon, S., Mueller, J. F., Galloway, T., & Thomas, K. 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. https://doi.org/10.1021/acs.est.0c07097 [details]

    Prize / grant

    • Petrignani, A. & Samanipour, S. (2021). KI funding (PPS).
    • Samanipour, S. (2020). Appointment of honorary senior research fellow (Associ. Prof.) at The University of Queensland.

    Media appearance

    Talk / presentation

    • Samanipour, S. (speaker) (12-2020). How many fragments do we need? A stochastic strategy to the chemical identification, CHAINS 2020.
    • Samanipour, S. (speaker) (30-10-2020). Big data and analytical chemistry: A love and hate relationship!, ACID 2020.
    • Samanipour, S. (speaker) (7-10-2020). Artificial Intelligence and Analytical Chemistry: How Excited Should We Get, FASTest 2020 e-lectures (Coast).
    • Samanipour, S. (speaker) (10-7-2020). An HRMS tool box for unraveling the enviornmental exposome, EnvChem2020.

    2022

    • Samanipour, S. (17-6-2022). The output of the models for Norman SusDat. Universiteit van Amsterdam. https://doi.org/10.21942/uva.20089805.v1
    • Samanipour, S. (17-6-2022). FishTox Data. Universiteit van Amsterdam. https://doi.org/10.21942/uva.20089751.v1
    • Samanipour, S. (17-6-2022). Norman descriptors and predicted LC50. Universiteit van Amsterdam. https://doi.org/10.21942/uva.20089787.v1
    • Samanipour, S., Van Asten, A. C. & Bonetti, J. L. (1-1-2022). Bonetti - Utilization of Machine Learning for the Differentiation of Positional NPS Isomers with DART-MS - 2022. Universiteit van Amsterdam. https://doi.org/10.21942/uva.19346771.v1
    • Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J.-P., Arp, H. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W.-L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., … Schymanski, E. L. (2022). Additional file 3 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Springer Nature. https://doi.org/10.6084/m9.figshare.21382490.v1
    • Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J.-P., Arp, H. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W.-L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., … Schymanski, E. L. (2022). Additional file 4 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Springer Nature. https://doi.org/10.6084/m9.figshare.21382496.v1
    • Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J.-P., Arp, H. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W.-L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., … Schymanski, E. L. (2022). Additional file 1 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Springer Nature. https://doi.org/10.6084/m9.figshare.21382484.v1
    • Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J.-P., Arp, H. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W.-L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., … Schymanski, E. L. (2022). The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Springer Nature. https://doi.org/10.6084/m9.figshare.c.6261311.v1
    • Mohammed Taha, H., Aalizadeh, R., Alygizakis, N., Antignac, J.-P., Arp, H. H., Bade, R., Baker, N., Belova, L., Bijlsma, L., Bolton, E. E., Brack, W., Celma, A., Chen, W.-L., Cheng, T., Chirsir, P., Čirka, Ľ., D’Agostino, L. A., Djoumbou Feunang, Y., Dulio, V., … Schymanski, E. L. (2022). Additional file 5 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Springer Nature. https://doi.org/10.6084/m9.figshare.21382502.v1

    2021

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