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Moorman, Matthew W.

Publications and source records attributed to Moorman, Matthew W..

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Energetics of high temperature degradation of fentanyl into primary and secondary products

Fentanyl is a synthetic opioid used for managing chronic pain. Due to its higher potency (50–100×) than morphine, fentanyl is also an abused drug. A sensor that could detect illicit fentanyl by identifying its thermally degraded fragments would be helpful to law enforcement. While experimental studies have probed the thermal degradation of fentanyl, little theoretical work has been done to understand the mechanism. Here, we studied the thermal degradation pathways of fentanyl using extensive ab initio molecular dynamics simulations combined with enhanced sampling via multiple-walker metadynamics. We calculated the free energy profile for each bond suggested earlier as a potential degradation point to map the thermodynamic driving forces. In conclusion, we also estimated the forward attempt rate of each bond degradation reaction to gain information about degradation kinetics.

Poudel, Bharat↗
DOE OSTI2023

Methods and systems for opioid detection

The present invention relates to detection systems for detecting an opioid compound by use of pyrolysis, as well as methods thereof. In particular, the systems are configured to detect the presence of a backbone fragment indicative of a class of opioid compounds, including opioid analogues.

Moorman, Matthew W.↗