Browsing by Subject "Synthetic drugs"

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    Development Of Paper Spray Mass Spectrometry Cartridges With Solid Phase Extraction For Drug Screening Applications
    (2024-12) Jakstonyte Ren, Greta ; Manicke, Nicholas; Goodpaster, John; Naumann, Christoph; Deiss, Frédérique
    The rise in overdoses, especially due to synthetic drugs like fentanyl has demonstrated a need for a rapid and simple drug detection method. This work describes the development and optimization of a paper spray mass spectrometry (PS-MS) with integrated solid-phase extraction (SPE) cartridges that can detect a wide range of drugs in plasma and whole blood The results can be obtained providing results in under five minutes with minimal sample preparation. The method is highly adaptable, allowing for rapid response to new emerging drugs. The initial focus on synthetic cannabinoids demonstrated sub-0.1 ng/mL detection limits for eight compounds in 100 µL of plasma. This work was expanded to screen thirty-five analytes from drug classes including fentanyl analogs, cathinones, benzodiazepines, and traditional illicit drugs. Validated according to SWGTOX guidelines, all drugs were detected in low ng/mL ranges. A streamlined data analysis method was also developed using a decision tree algorithm and an in-house library of nearly 200 compounds. This enabled retrospective analysis and detection of emerging drugs, such as 4F-MDMB-BINACA and brorphine, from previous samples. In a study of 400 authentic overdose plasma samples, 102 unique drugs were identified, mostly fentanyl-related. To further simplify the process, an "all-in-one" SPE cartridge was developed for whole blood, effectively pre-concentrating over 20 drugs of abuse. This device showed single and sub-ng/mL detection limits in 70 µL of blood. Samples were stable for 14 days, demonstrating the system’s potential for rapid, practical applications in forensic and clinical settings.
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    Mass Spectrometry Assay Development for Small Molecule Drug Therapies and Drugs of Abuse
    (2024-12) Zimmerman-Federle, Hannah MacKenzie; Manicke, Nicholas; Goodpaster, John; Deiss, Frédérique; Deng, Yongming
    Mass spectrometry (MS) is a comprehensive and adaptable technique that is useful for addressing a wide range of complex analytical challenges. In this work MS-based assays were developed to address issues relating to the synthetic drug epidemic and failures in point-of-care situations. Chapter one is an overview of the history of mass spectrometry, the fundamental operation of a mass spectrometer, and the advancements made in ionization methods. Chapter two is a review focusing on drug surveillance programs, or lack thereof, and their impact on combating the synthetic drug epidemic in the United States. The work in chapter three describes the development of a novel untargeted semiquantitative paper spray mass spectrometry assay for synthetic drug screening in human plasma. This work implemented a 3D printed solid phase extraction cartridge that allowed for sample preconcentration. This method was tested using remnant patient plasma samples collected from local downtown Indianapolis hospitals. Chapter four introduces a comparison of mass spectrometry acquisition methods to determine the most sensitive and specific techniques. The acquisitions that are compared are parallel reaction monitoring (PRM), sequential windowed acquisition of all theoretical mass (SWATH), and data dependent acquisition (DDA). A small subset of synthetic drugs with known properties were chosen for this comparison and a confirmation study was conducted with real patient samples. Chapter five describes the development of a paper spray mass spectrometry assay for the detection and semi quantitation of � -Lactam antibiotics to improve point-of-care therapeutic drug monitoring in critical care patients in the pediatric population. A liquid chromatography mass spectrometry method was also developed to compare limits of detection between these two methods. Single lot patient plasma samples were tested using both methods and the lower limits of detection and quantitation were compared. Chapter six details a combined approach for the determination of methylpyridine derivative isomers utilizing gas chromatography infrared spectroscopy (GC-IR), gas chromatography mass spectrometry (GC-MS), and density functional theory (DFT) calculations. The projects detailed herein show the extensive range with which mass spectrometry can be used for the detection of a wide range of drugs and synthetic compounds.