UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

SERS multiplexing of methylxanthine drug isomers via host-guest size matching and machine learning

Chio, W-IK; Liu, J; Jones, T; Perumal, J; Dinish, US; Parkin, IP; Olivo, M; (2021) SERS multiplexing of methylxanthine drug isomers via host-guest size matching and machine learning. Journal of Materials Chemistry C 10.1039/d1tc02004h. (In press). Green open access

[thumbnail of d1tc02004h.pdf]
Preview
Text
d1tc02004h.pdf - Published Version

Download (3MB) | Preview

Abstract

Multiplexed detection and quantification of structurally similar drug molecules, methylxanthine MeX, incl. theobromine TBR, theophylline TPH and caffeine CAF, have been demonstrated via solution-based surface-enhanced Raman spectroscopy (SERS), achieving highly reproducible SERS signals with detection limits down to ∼50 nM for TBR and TPH, and ∼1 μM for CAF. Our SERS substrates are formed by aqueous self-assembly of gold nanoparticles (Au NPs) and supramolecular host molecules, cucurbit[n]urils (CBn, n = 7, 8). We demonstrate that the binding constants can be significantly increased using a host–guest size matching approach, which enables effective enrichment of analyte molecules in close proximity to the plasmonic hotspots. The dynamic range and the robustness of the sensing scheme can be extended using machine learning algorithms, which shows promise for potential applications in therapeutic drug monitoring, food processing, forensics and veterinary science.

Type: Article
Title: SERS multiplexing of methylxanthine drug isomers via host-guest size matching and machine learning
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d1tc02004h
Publisher version: https://doi.org/10.1039/D1TC02004H
Language: English
Additional information: This is the version of record, available under the Creative Commons Attribution 4.0 International (CC BY 4.0) licence.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office > Institute for Materials Discovery
URI: https://discovery.ucl.ac.uk/id/eprint/10133528
Downloads since deposit
26Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item