Planar <i>vs.</i> twisted pyrimidine derivatives: insights from molecular dynamics and predictive modelling for melamine detection in dairy products
Two pyrimidine-based probes with pyrene (1) and anthracene (2) donors self-assemble in water, showing turn-on response with melamine. 1 detects melamine in milk samples and milk products. MD simulations reveal distinct aggregation modes, and linear regression accurately predicts melamine levels.
Authors
- Nilanjan Dey (ORCID: https://orcid.org/0000-0002-3988-1509)
- Barnali Maiti (ORCID: https://orcid.org/0000-0001-8338-0720)
- Harshal V. Barkale (ORCID: https://orcid.org/0009-0008-8963-8743)
Institutions
- University of British Columbia (CA)
- Birla Institute of Technology and Science - Hyderabad Campus (IN)
- Canada's Michael Smith Genome Sciences Centre (CA)
- Birla Institute of Technology and Science, Pilani (IN)
Publication Details
- Journal
- Materials Advances
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ma00470e
- Citations
- 1
- Primary Topic
- Melamine detection and toxicity
- Type
- article
- Field-Weighted Citation Impact
- 1.16