Umeå University's logo

umu.sePublications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Characterization of carfentanil and thiofentanil using surface-enhanced raman spectroscopy and density functional theory
Umeå University, Faculty of Science and Technology, Department of Physics. Division of CBRN Defence and Security, Swedish Defence Research Agency (FOI), Umeå, Sweden.ORCID iD: 0000-0002-0168-0197
Division of Weapons, Protection and Security, Swedish Defence Research Agency (FOI), Norra Sorunda, Sweden.
Umeå University, Faculty of Science and Technology, Department of Physics.ORCID iD: 0000-0001-9239-0541
Division of CBRN Defence and Security, Swedish Defence Research Agency (FOI), Umeå, Sweden.
Show others and affiliations
2024 (English)In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 55, no 4, p. 481-492Article in journal (Refereed) Published
Abstract [en]

Fentanyls are synthetic opioids up to 10,000 times more potent than morphine. Although initially developed for medical applications, fentanyl and its analogues have recently grown synonymous with the ongoing opioid epidemic. To combat the continued spread of these substances, there is a need for rapid and sensitive techniques for chemical detection. Surface-enhanced Raman spectroscopy (SERS) has the potential for trace detection of harmful chemical substances. However, vibrational spectra obtained by SERS often differ between SERS substrates, as well as compared with spectra from normal Raman (NR) spectroscopy. Herein, SERS and NR responses from two fentanyl analogues, carfentanil (CF) and thiofentanil (TF), were measured and analysed with support from density functional theory (DFT) modelling. Using commercially available silver nanopillar SERS substrates, the SERS signatures of samples diluted in acetonitrile between 0.01 and 1000 µg/mL were studied. Relative SERS peak intensities measured in the range of 220–1800 cm−1 vary with concentration, while SERS and NR spectra largely agree for CF at higher concentrations ((Formula presented.) 100 µg/mL). For TF, three distinct NR peaks at 262, 366 and 667 cm−1 are absent or strongly suppressed in the SERS spectrum, attributed to the lone-pair electrons of the thiophene's sulphur atom binding to the Ag surface. The concentration dependence of the Raman peak at (Formula presented.) 1000 cm−1, assigned to trigonal bending of the phenyl ring, approximately follows a Langmuir adsorption isotherm. This work elucidates similarities and differences between SERS and NR in fentanyl detection and discusses the chemical rationale behind these differences.

Place, publisher, year, edition, pages
John Wiley & Sons, 2024. Vol. 55, no 4, p. 481-492
Keywords [en]
carfentanil, opioids, Raman, SERS, thiofentanil
National Category
Analytical Chemistry
Identifiers
URN: urn:nbn:se:umu:diva-219515DOI: 10.1002/jrs.6643ISI: 001139395600001Scopus ID: 2-s2.0-85181933303OAI: oai:DiVA.org:umu-219515DiVA, id: diva2:1830129
Funder
Swedish Research Council, 2019-04016Swedish Research Council, 2018-03937The Kempe Foundations, JCK-2132Available from: 2024-01-22 Created: 2024-01-22 Last updated: 2025-09-30Bibliographically approved
In thesis
1. Spotlight the killer: detecting harmful chemical and biological agents using optical spectroscopy
Open this publication in new window or tab >>Spotlight the killer: detecting harmful chemical and biological agents using optical spectroscopy
2025 (English)Doctoral thesis, comprehensive summary (Other academic)
Alternative title[sv]
Lyset på mördaren : detektion av skadliga kemiska och biologiska ämnen med hjälp av optisk spektroskopi
Abstract [en]

Harmful chemical and biological agents are a significant threat to health and prosperity worldwide. Recent years have seen an increase in wars and conflicts around the globe, raising concerns about the potential deployment of chemical and biological warfare agents. On a less speculative level, harmful chemicals such as narcotic substances cause immense humanitarian and economic damage through overdoses and associated healthcare costs, while microbes such as pathogenic bacteria and parasites cause hospital-acquired infections and food spoilage at a cost of approximately 1 trillion euros every year. To combat the threat of these harmful agents, we must thus develop rapid and effective detection and diagnostic methods for harmful agents, allowing us to effectively deploy specific treatments and preventative measures.

Classically, while there exist numerous methods for the detection of both harmful chemical and biological agents, they often come with limitations that inhibit their effectiveness. These inhibitions often take the form of bulky equipment that is difficult to apply in the field or time-consuming preparation and measurement processes.

In this thesis we will explore an alternative category of assays for detecting and characterizing harmful materials – optical spectroscopy. Optical spectroscopy is a category of material characterization methods that use light to probe a material. While probing the material, we receive a signal characteristic of the molecules, chemical, and biological structure of our material. These optical spectroscopic methods, such as Raman spectroscopy and fluorescence spectroscopy, can be used to characterize a material within the span of minutes or even seconds, making them ideal for detection applications. Furthermore, they can often be made portable or even handheld, making them a great tool for initial field indication of harmful materials, ahead of thorough lab analysis.

I sincerely hope the studies presented herein can serve as a stepping stone to future technologies and detection assays, capable of saving both money and lives. 

Place, publisher, year, edition, pages
Umeå: Umeå University, 2025. p. 72
Keywords
Sensing, Raman spectroscopy, SERS, Fluorescence spectroscopy, CWA, nerve agents, bacterial spores, Cryptosporidium
National Category
Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:umu:diva-244830 (URN)978-91-8070-780-0 (ISBN)978-91-8070-779-4 (ISBN)
Public defence
2025-10-24, Aula Anatomica, Biologihuset, 907 36, Umeå, Umeå, 13:00 (English)
Opponent
Supervisors
Note

This work was done in collaboration with, and with support from, the Swedish Defece Research Agency (FOI).

Available from: 2025-10-03 Created: 2025-09-30 Last updated: 2025-10-22Bibliographically approved

Open Access in DiVA

fulltext(1030 kB)139 downloads
File information
File name FULLTEXT02.pdfFile size 1030 kBChecksum SHA-512
a9b3603d346561248d1f992cce431f1839fa8eddc0038544ba250e9647dee97d671a9d824242ef3e38a7ca88e7c8880bcb03b06a48ae3e702c10af47edc14c90
Type fulltextMimetype application/pdf

Other links

Publisher's full textScopus

Authority records

Öberg, RasmusGracia-Espino, EduardoAndersson, Magnus

Search in DiVA

By author/editor
Öberg, RasmusGracia-Espino, EduardoAndersson, Magnus
By organisation
Department of Physics
In the same journal
Journal of Raman Spectroscopy
Analytical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
Total: 190 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 704 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf