Publications by authors named "David Kemper"

Objective: There are limited studies on the safety and efficacy of high flow nasal cannula (HFNC) use in pediatrics during interfacility critical care transport. This 15-month retrospective study aims to describe our transport team's utilization of HFNC within the pediatric population and evaluates the need for patient escalation in respiratory support within 24 hours of hospital admission including increased liter flow, transition to noninvasive ventilation, or intubation.

Methods: Retrospective charts were reviewed by study members from January 1, 2019, through March 31, 2020.

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A multistate energy decomposition analysis (MS-EDA) method is described to dissect the energy components in molecular complexes in excited states. In MS-EDA, the total binding energy of an excimer or an exciplex is partitioned into a ground-state term, called local interaction energy, and excited-state contributions that include exciton excitation energy, superexchange stabilization, and orbital and configuration-state delocalization. An important feature of MS-EDA is that key intermediate states associated with different energy terms can be variationally optimized, providing quantitative insights into widely used physical concepts such as exciton delocalization and superexchange charge-transfer effects in excited states.

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Polyoxometalates are known to be inhibitors of a diverse collection of enzymes, although the specific interactions that lead to this bioactivity are still unclear. Spectroscopic characterization may be an invaluable if indirect tool for remedying this problem, yet this requires clear, cogent assignment of polyoxometalate spectra before the complicating effect of their binding to large biomolecules can be considered. We report the use of FT-IR and resonance Raman spectroscopies alongside density functional theory to describe the vibrational and electronic structures of decavanadate, [VO].

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