Dropout has been identified as a significant problem among military populations seeking psychotherapy (Goetter et al., 2015; Hoge et al., 2014), yet an overall estimate of its exact prevalence and predictors does not exist.
View Article and Find Full Text PDFIn atom probe tomography of molecular organic materials, field ionization of either entire molecules or molecular fragments can occur, but the mechanism governing this behavior was not previously understood. This work explains when a doubly ionized small molecule organic material is expected to undergo fragmentation. We find that multiple detection events arising from post-ionization fragmentation of a parent molecular dication into two daughter ions is well explained by the free energy and geometries of the molecules computed using density functional theory.
View Article and Find Full Text PDFAlloxan is an important toxic glucose analogue used to induce diabetes in lab test animals. Once regarded as a "problem structure," the condensed-phase structure of anhydrous alloxan has largely been settled, but literature inconsistencies remain for the structure of the typically employed reagent alloxan monohydrate. Due to the criticality of structure-function relationships, we have used H/C{H} NMR, IR spectroscopy, as well as quantum mechanical (QM) calculations to probe the liquid-phase structure and reactivity of alloxan monohydrate.
View Article and Find Full Text PDFOrg Biomol Chem
November 2020
A synthetic method towards fluorinated allylamines using allene precursors is reported. A variety of heterocyclic amines were employed as nucleophiles in a Selectfluor promoted intermolecular fluoroamination reaction. This strategy provides a novel synthetic route to access vinyl fluorides with a vicinal amine moiety.
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