Desmetramadol

We developed a method for comprehensive urine drug screening by applying dilute‐and‐shoot extraction and vacuum‐insulated probe‐heated electrospray ionization with ultra‐high performance liquid chromatography high‐resolution quadrupole time‐of‐flight mass spectrometry (DS‐UHPLC‐VIP‐HESI‐QTOFMS). The method involved five‐fold post‐hydrolysis dilution of urine samples and chromatography on a C18 UHPLC column prior to QTOFMS analysis. The recently introduced VIP‐HESI ion source was chosen due to its enhanced ionization efficiency and compatibility with UHPLC‐QTOFMS. Extensive data was acquired in positive ion mode with a low collision energy (7 eV) and an elevated collision energy (30 eV), using the broadband collision‐induced dissociation data acquisition scan mode that continuously generated high‐resolution and accurate mass for parent and fragment qualifier ions, and parent ion isotopic patterns. Compound identification was performed against an in‐house database with 1263 compound entries, using an automated post‐run reverse target database search with preset identification criteria. Method validation with 56 different drugs showed acceptable results for the limit of identification (median 5 ng/mL), matrix effects (70–130%), repeatability of retention times (< 1%), mass accuracy (< 1 mDa), as well as for specificity and stability. As compared with an established UHPLC‐QTOFMS method relying on solid‐phase extraction and conventional electrospray ionization, DS‐UHPLC‐VIP‐HESI‐QTOFMS produced comparable results from authentic clinical urine samples for most drugs, but showed clearly improved detectability for pregabalin, gabapentin, and ritalinic acid. We anticipate that the new method will be a step forward for laboratories performing routine urine drug screening due to its fast turnaround time, reduced manual workload, cost efficiency, and broad substance coverage.

Water reuse in agriculture supports climate resilience and circular economy principles, yet concerns remain regarding contaminants of emerging concern (CECs) in reclaimed water. This study investigates the occurrence, uptake, and potential risks of CECs in maize cultivated under two irrigation scenarios: precision drip irrigation using groundwater and reclaimed wastewater. A wide-scope target analysis of over 2200 CECs was performed in groundwater, raw and treated wastewater, irrigated soil, and maize plant tissues. A total of 104 CECs across nine chemical classes were detected in water samples, with wastewater treatment reducing 67 % of detected compounds. However, several pharmaceuticals and transformation products persisted post-treatment. Soil irrigated with treated wastewater exhibited a greater variety and higher concentrations of CECs than groundwater-irrigated soil. Maize plants accumulated 14 CECs in roots, stems, leaves, and corn, with higher concentrations in reclaimed water-irrigated crops. A human health risk assessment, based on the threshold of toxicological concern and hazard quotient approaches, indicated negligible risks at detected concentrations and expected dietary exposure levels. However, substances flagged for potential genotoxicity via in silico tools, such as acetaminophen and harmane, warrant further evaluation. These findings highlight the need for improved monitoring and targeted removal strategies to ensure safe and sustainable agricultural applications.