Globally, drug-impaired driving fatalities now exceed those from drunk driving, urging the need for on-site and roadside detection methods. In this study, a photothermal desorption and reagent-assisted low-temperature plasma ionization miniature ion trap mass spectrometer (PDRA-LTP-ITMS) was developed for on-site detection of drug-impaired driving. The pseudomultiple reaction monitoring (MRM) in PDRA-LTP-ITMS enables continuous ion selection during ion introduction and improved sensitivity to nearly 3-fold compared with the conventional full scan mode.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Given a number of data sets for evaluating the performance of single reference methods for the low-lying excited states of closed-shell molecules, a comprehensive data set for assessing the performance of multireference methods for the low-lying excited states of open-shell systems is still lacking. For this reason, we propose an extension (QUEST#4X) of the radical subset of QUEST#4 ( , , 3720) to cover 110 doublet and 39 quartet excited states. Near-exact results obtained by iterative configuration interaction with selection and second-order perturbation correction (iCIPT2) are taken as benchmark to calibrate static-dynamic-static configuration interaction (SDSCI) and static-dynamic-static second-order perturbation theory (SDSPT2), which are minimal MRCI and CI-like perturbation theory, respectively.
View Article and Find Full Text PDFThe highest sheet symmetry form of graphyne, with one triple bond between each neighboring hexagon in graphene, irreversibly transforms exothermically at ambient pressure and low temperatures into a nongraphitic, planar-sheet, zero-bandgap phase consisting of intrasheet-bonded sp carbons. The synthesis of this sp carbon phase is demonstrated, and other carbon phases are described for possible future synthesis from graphyne without breaking graphyne bonds. While measurements and theory indicate that the reacting graphyne becomes nonplanar because of sheet wrinkling produced by dimensional mismatch between reacted and nonreacted sheet regions, sheet planarity is regained when the reaction is complete.
View Article and Find Full Text PDFKatsumada galangal seed ( K. Schum) is an important member of the Zingiberaceae family, with both medicinal value and culinary applications (Park et al. 2020).
View Article and Find Full Text PDFBrain Imaging Behav
January 2025
Bipolar disorder (BD) is a complex psychiatric condition marked by significant mood fluctuations that deeply affect quality of life. Understanding the neural mechanisms underlying BD is critical for improving diagnostic accuracy and developing more effective treatments. This study utilized resting-state functional magnetic resonance imaging (rs-fMRI) to investigate functional connectivity within the ventral and dorsal attention networks in 52 patients with BD and 51 healthy controls.
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