Results 201 to 210 of about 97,163 (263)

A Novel Workflow for Fast Elucidation of Drug Metabolites for Screening—Combining In Silico Metabolite Prediction With Trapped Ion Mobility QTOF‐MS

Drug Testing and Analysis, EarlyView.
UHPLC‐timsTOF‐MS with in silico prediction and automated annotation enabled rapid identification of quetiapine metabolites from pHLMs, facilitating their inclusion in targeted LC‐QTOF‐MS urine screening and improving biomarker detection for toxicological applications.
Annette Zschiesche, Birgit Schneider, Ilona Nordhorn, Carsten Baessmann, Laura M. Huppertz, Jürgen Kempf   +5 more
wiley   +1 more source

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials. [PDF]

J Am Chem Soc
Chahal-Crockett R, Toomey MD, Kearney LT, Gao Y, Damron JT, Naskar AK, Roy S.   +6 more
europepmc   +1 more source

Identification and Characterization of the Designer Opioid N‐Pyrrolidino Fluetonitazene in Nasal Spray

Drug Testing and Analysis, EarlyView.
N‐Pyrrolidino fluetonitazene, a synthetic opioid, was identified and characterized in a nasal spray using GC‐MS, LC‐QTOF‐MS, NMR and FT‐IR. ABSTRACT Detection of drugs in non‐biological samples serves as a fundamental basis for identifying emerging trends in the field of new psychoactive substances and provides valuable information for optimizing ...
Fabian Picht, Valentin Cepus, Rona Hohlfeld, Julian Klingbeil, Marco Weber   +4 more
wiley   +1 more source

Rotational Characterization of Four-Ring Polycyclic Aromatic Hydrocarbons: Toward the Detection of Fluoranthene and Cyanofluoranthene in Space. [PDF]

J Phys Chem Lett
Villar-Castro D, Cabezas C, Steber AL, Morán JR, de la Fuente S, Hussain FS, Pérez D, Lesarri A, Cernicharo J, Pérez C, Peña I.   +10 more
europepmc   +1 more source

Recreational Drug Use at a Music Festival: A Dual Approach Using Hair Biomarkers Analysis and Participant Self‐Reported Drug Use

Drug Testing and Analysis, EarlyView.
Combined self‐report and hair analysis in festival attendees (n = 249) revealed substantial discrepancies in drug use reporting, particularly for stimulants and dissociatives. This integrated approach enhances detection of poly‐drug use and provides a more reliable basis for monitoring and harm‐reduction strategies.
A. Y. Simão, T. Rosado, M. Barroso, M. Andraus, E. Gallardo   +4 more
wiley   +1 more source

Surface Engineering and Carbon Dioxide (CO₂) Adsorption in Graphene Oxide (GO)-Based Polymer Nanocomposites for Sustainable Capture Technologies. [PDF]

ACS Omega
Thara L, Singh R, Mittal A.
europepmc   +1 more source

Segmental Hair Analysis of Diphenhydramine and Cyclizine Following a Single Dose

Drug Testing and Analysis, EarlyView.
A single oral dose of diphenhydramine and cyclizine can be quantified in human head hair for a minimum of 5 months and, in certain cases, for up to 1 year following intake. Among 12 study participants, the measured concentrations ranged from 0 to 610 pg/mg within 1 year post‐intake.
Jan Bílek, Marie Katrine Klose Nielsen, Robert Kronstrand, Sys Stybe Johansen   +3 more
wiley   +1 more source

Elimination Profile of Deflazacort and Metabolites in Urine and Plasma Following Oral Administration: Relevance to Sports Drug Testing

Drug Testing and Analysis, EarlyView.
Results confirm that the MRL of 30 ng/mL for 21‐desacetyl‐deflazacort together with a 3‐day washout period is an appropriated strategy to detect oral deflazacort administration in sport competition. ABSTRACT Deflazacort (DEF) is a glucocorticoid prohibited in sports competitions when orally administered.
Sergi Coll, Claudia Bressan, Núria Monfort, Ana Aldea‐Perona, Marcel·lí Carbó, Rosa Ventura   +5 more
wiley   +1 more source

Investigation of the In Vitro and In Vivo Metabolism and μ‐Opioid Receptor Affinity of the Nitazene N‐Pyrrolidino Fluetonitazene

Drug Testing and Analysis, EarlyView.
Eight metabolites for N‐pyrrolidino fluetonitazene were identified in vitro, three of which (M2, M6 and M8) were present in an authentic urine sample. M2 was the most abundant in vivo metabolite and is a common marker metabolite of nitazepyne‐type substances.
Severin Zemp, Gaia Alluisetti, Wolfgang Weinmann, Bettina Schrag, Frank Sporkert, Maurine Leclerc, Katharina Elisabeth Grafinger   +6 more
wiley   +1 more source

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A NEMO potential that includes the dipole–quadrupole and quadrupole–quadrupole polarizability

Journal of Computational Chemistry, 2010
AbstractTo increase the accuracy of molecular force fields a systematical and balanced improvement of the various terms included is needed. In this work, we have followed this strategy to improve the quality of the NEMO potential for the formaldehyde dimer by introducing local quadrupole moments and higher‐order polarizabilities.
Gunnar Karlström, Roland Lindh
exaly   +3 more sources