D. (Denice) van Herwerden MSc
Faculteit der Natuurwetenschappen, Wiskunde en Informatica
Van 't Hoff Institute for Molecular Sciences
Bezoekadres
- Science Park 904
Postadres
- Postbus 94157
1090 GD Amsterdam
Contactgegevens
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Publicaties
2023
- 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
- 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. Advance online publication. https://doi.org/10.1016/j.jhazmat.2023.131486
- van Herwerden, D., O'Brien, J. W., Lege, S., Pirok, B. W. J., Thomas, K. V., & Samanipour, S. (2023). Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data. Analytical Chemistry, 95(33), 12247-12255. https://doi.org/10.1021/acs.analchem.3c00896
2022
Bos, T. S., Boelrijk, J., Molenaar, S. R. A., Veer, B. V. ., Niezen, L. E., van Herwerden, D., Samanipour, S., Stoll, D. R., Forré, P., Ensing, B., Somsen, G. W., & Pirok, B. W. J. (2022). Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical Chemistry, 94(46), 16060-16068. Advance online publication. https://doi.org/10.1021/acs.analchem.2c03160 [details]- Yang, F., van Herwerden, D., Preud’homme, H., & Samanipour, S. (2022). Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning. Molecules, 27(19), Article 6424. https://doi.org/10.3390/molecules27196424 [details]
- van Herwerden, D., O'Brien, J. W., Choi, P. M., Thomas, K. V., Schoenmakers, P., & Samanipour, S. (2022). Naive Bayes classification model for isotopologue detection in LC-HRMS data. Chemometrics and Intelligent Laboratory Systems, 223, Article 104515. https://doi.org/10.1016/j.chemolab.2022.104515 [details]
2021
- Schulze, B., van Herwerden, D., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., Gravert, T., Hollender, J., ... Samanipour, S. (2021). Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Scientific Data, 8, Article 223. https://doi.org/10.1038/s41597-021-01002-w [details]
2020
- van Herwerden, D., Pirok, B. W. J., & Schoenmakers, P. J. (2020). Liquid Chromatography: Applications for the Oil and Gas Industry. In M. N. Dunkle, & W. L. Winniford (Eds.), Analytical Techniques in the Oil and Gas Industry for Environmental Monitoring (pp. 225-258). Wiley. https://doi.org/10.1002/9781119523314.ch5 [details]
2021
- Schulze, B., van Herwerden, D., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., Gravert, T., Hollender, J., … Samanipour, S. (2021). Metadata record for: Inter-laboratory high resolution mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Figshare. https://doi.org/10.6084/m9.figshare.15028665.v1
- Schulze, B., van Herwerden, D., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., Gravert, T., Hollender, J., … Samanipour, S. (2021). Metadata record for: Inter-laboratory high resolution mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Figshare. https://doi.org/10.6084/m9.figshare.15028665
- Samanipour, S., van Herwerden, D., Kaserzon, S., Schulze, B., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., … Young, R. (2021). MassIVE MSV000087368 - GNPS Inter-laboratory dataset from a collaborative trial for future use in the development of non-target analysis. UC San Diego. https://doi.org/10.25345/c5jv6c
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Nevenwerkzaamheden
Geen nevenwerkzaamheden
Bos, T. S., Boelrijk, J., Molenaar, S. R. A., Veer, B. V. ., Niezen, L. E., van Herwerden, D., Samanipour, S., Stoll, D. R., Forré, P., Ensing, B., Somsen, G. W., & Pirok, B. W. J. (2022). Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical Chemistry, 94(46), 16060-16068. Advance online publication.