Copper(II) quinoxolinol imidazolium complexes in catalytic oxidation of benzylic and heterocyclic alcohols.

A novel copper(II) quinoxolinol complex has been prepared using a condensation reaction based on previous studies. The copper(II) quinoxolinol salen complex has been applied as a catalyst using -butyl hydroperoxide (TBHP) as the oxidant, demonstrating that benzylic and heterocyclic alcohols can be converted efficiently to the corresponding aldehydes. Excellent yields can be achieved (up to 99%) within a short reaction time and with great tolerance for functional groups.

Ensemble effects on allylic oxidation within explicit solvation environments.

Umbrella-sampling density functional theory molecular dynamics (DFT-MD) has been employed to study the full catalytic cycle of the allylic oxidation of cyclohexene using a Cu(ii) 7-amino-6-((2-hydroxybenzylidene)amino)quinoxalin-2-ol complex in acetonitrile to create cyclohexenone and H2O as products. After the initial H-atom abstraction step, two different reaction pathways have been identified that are distinguished by the participation of alkyl hydroperoxide (referred to as the "open" cycle) versus the methanol side-product (referred to as the "closed" cycle) within the catalyst recovery process. Importantly, both pathways involve dehydrogenation and re-hydrogenation of the -NH2 group bound to the Cu-site - a feature that is revealed from the ensemble sampling of configurations of the reactive species that are stabilized within the explicit solvent environment of the simulation.

Geographic and Racial/Ethnic Variation in Glycemic Control and Treatment in a National Sample of Veterans With Diabetes.

Objective: Geographic and racial/ethnic disparities related to diabetes control and treatment have not previously been examined at the national level.

Research Design And Methods: A retrospective cohort study was conducted in a national cohort of 1,140,634 veterans with diabetes, defined as two or more diabetes ICD-9 codes (250.xx) across inpatient and outpatient records.

The association between fracture rates and neighborhood characteristics in Washington, DC, children.

Background: Effects of neighborhood contextual features have been found for many diseases, including bone fractures in adults. Our study objective was to evaluate the association between neighborhood characteristics and pediatric bone fracture rates. We hypothesized that neighborhood indices of deprivation would be associated with higher fracture rates.

Pediatric residents' knowledge of the community.

Objective: The purpose of this study was to examine pediatric residents' knowledge of the communities they serve through their continuity clinics.

Design/methods: The community was identified for each of 6 continuity clinics at an urban children's hospital by geocoding patient addresses using GIS software (1 hospital-based [n = 36], 1 primary care track site [n = 10], and 4 community clinics [n = 12]). We assessed resident and attending knowledge with a survey examining 7 content areas with basic questions about these communities.