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
-
Publicaties
2024
Bade, R., van Herwerden, D., Rousis, N., Adhikari, S., Allen, D., Baduel, C., Bijlsma, L., Boogaerts, T., Burgard, D., Chappell, A., Driver, E. M., Sodre, F. F., Fatta-Kassinos, D., Gracia-Lor, E., Gracia-Marín, E., Halden, R. U., Heath, E., Jaunay, E., Krotulski, A., ... Mueller, J. (2024). Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater. Journal of Hazardous Materials, 469, Article 133955. https://doi.org/10.1016/j.jhazmat.2024.133955 [details]- Samanipour, S., Barron, L. P., van Herwerden, D., Praetorius, A., Thomas, K. V., & O’Brien, J. W. (2024). Exploring the Chemical Space of the Exposome: How Far Have We Gone? JACS AU, 4(7), 2412-2425. https://doi.org/10.1021/jacsau.4c00220 [details]
- van Herwerden, D., Nikolopoulos, A., Barron, L. P., O'Brien, J. W., Pirok, B. W. J., Thomas, K. V., & Samanipour, S. (2024). Exploring the chemical subspace of RPLC: A data driven approach. Analytica Chimica Acta, 1317, Article 342869. https://doi.org/10.1016/j.aca.2024.342869 [details]
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), Article 28. https://doi.org/10.1186/s13321-023-00699-8 [details]
- 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, Article 131486. https://doi.org/10.1016/j.jhazmat.2023.131486 [details]
- 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 [details]
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. 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]
Prijs / subsidie
- van Herwerden, D. (2023). poster prize at ISEAC-41. https://hims.uva.nl/content/news/2023/12/denice-van-herwerden-wins-poster-prize-at-iseac-41.html?origin=4zNaIwCsT1iMc%2FL4U9Sh2Q
2023
- van Herwerden, D. & Samanipour, S. (2023). Dataset for: RPLC chemical space prediction. Figshare. https://doi.org/10.6084/m9.figshare.22587262
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
- 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
This list of publications is extracted from the UvA-Current Research Information System. Questions? Ask the library or the Pure staff of your faculty / institute. Log in to Pure to edit your publications. Log in to Personal Page Publication Selection tool to manage the visibility of your publications on this list. -
Nevenwerkzaamheden
Geen nevenwerkzaamheden
Bade, R., van Herwerden, D., Rousis, N., Adhikari, S., Allen, D., Baduel, C., Bijlsma, L., Boogaerts, T., Burgard, D., Chappell, A., Driver, E. M., Sodre, F. F., Fatta-Kassinos, D., Gracia-Lor, E., Gracia-Marín, E., Halden, R. U., Heath, E., Jaunay, E., Krotulski, A., ... Mueller, J. (2024). Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater. Journal of Hazardous Materials, 469, Article 133955.