Ultrafast Electronic Energy Transfer in an orthogonal molecular dyad

The St Andrews group acknowledges support from the European Research Council (grant number 321305) and the Engineering and Physical Sciences Research Council (grant EP/L017008/1). I.D.W.S. also acknowledges support from a Royal Society Wolfson Research Merit Award.Understanding electronic energy transfer (EET) is an important ingredient in the development of artificial photosynthetic systems and photovoltaic technologies. Although EET is at the heart of these applications and crucially influences their light-harvesting efficiency, the nature of EET over short distances for covalently bound donor and acceptor units is often not well understood. Here we investigate EET in an orthogonal molecular dyad (BODT4) in which simple models fail to explain the very origin of EET. Based on nonadiabatic ab initio molecular dynamics calculations and fluorescence depolarization experiments we gain detailed microscopic insights into the ultrafast electro-vibrational dynamics following photoexcitation. Our analysis offers molecular-level insights into these processes and reveals that it takes place on timescales ≲ 100 fs and occurs through an intermediate charge-transfer state.PostprintPeer reviewe

An evidence-based socioecological framework to understand men’s use of anabolic androgenic steroids and inform interventions in this area

Research into men’s use of anabolic androgenic steroids (AAS) over the past three decades has identified many factors that contribute to decision making in this area. However there are limited theoretical frameworks to synthesize this research and guide practice, such as interventions to prevent use or reduce health risks. To address this gap a socioecological framework is presented based upon the international literature examining AAS use. Socioecological models recognize that individuals and behaviors exist within complex physical and social systems and are useful tools for guiding interventions to ensure consideration is given to multiple influential factors. This framework proposes that use of AAS is the result of the interaction of a range of factors at the individual, social network, institutional, community and societal levels that are likely to change over time and with experience. Viewed through this framework it becomes clear that AAS use can be a complex behavior with many influential environments and relationships impacting on a diverse population in different ways and at different times. The implications of findings for engaging with people who use AAS and delivering interventions are discussed, such as the identification of important transition times and influencing norms within social groups and communities

Cyclodextrin Complexes of Reduced Bromonoscapine in Guar Gum Microspheres Enhance Colonic Drug Delivery

Here, we report improved solubility and enhanced colonic delivery of reduced bromonoscapine (Red-Br-Nos), a cyclic ether brominated analogue of noscapine, upon encapsulation of its cyclodextrin (CD) complexes in bioresponsive guar gum microspheres (GGM). Phase−solubility analysis suggested that Red-Br-Nos complexed with β-CD and methyl-β-CD in a 1:1 stoichiometry, with a stability constant (Kc) of 2.29 × 103 M−1 and 4.27 × 103 M−1. Fourier transforms infrared spectroscopy indicated entrance of an O−CH2 or OCH3−C6H4−OCH3 moiety of Red-Br-Nos in the β-CD or methyl-β- CD cavity. Furthermore, the cage complex of Red-Br-Nos with β-CD and methyl-β-CD was validated by several spectral techniques. Rotating frame Overhauser enhancement spectroscopy revealed that the Ha proton of the OCH3−C6H4−OCH3 moiety was closer to the H5 proton of β-CD and the H3 proton of the methyl-β-CD cavity. The solubility of Red-Br-Nos in phosphate buffer saline (PBS, pH ∼ 7.4) was improved by ∼10.7-fold and ∼21.2-fold when mixed with β-CD and methyl-β-CD, respectively. This increase in solubility led to a favorable decline in the IC50 by ∼2-fold and ∼3-fold for Red-Br-Nos−β-CD-GGM and Red-Br-Nos−methyl-β-CD-GGM formulations respectively, compared to free Red-Br-Nos−β-CD and Red-Br-Nos−methyl-β-CD in human colon HT-29 cells. GGM-bearing drug complex formulations were found to be highly cytotoxic to the HT-29 cell line and further effective with simultaneous continuous release of Red-Br-Nos from microspheres. This is the first study to showing the preparation of drug-complex loaded GGMS for colon delivery of Red-Br-Nos that warrants preclinical assessment for the effective management of colon cancer

Psychological and social effects of orthodontic treatment

Adolescents with commonly occurring forms of malocclusion often are presumed to be at risk for negative self-esteem and social maladjustment. A randomized control group design was used to assess the psychosocial effects of orthodontic treatment for esthetic impairment. Ninety-three participants, 11 to 14 years old, with mild to moderate malocclusions, were randomly assigned to receive orthodontic treatment immediately or after serving as delayed controls. A battery of psychological and social measures was administered before treatment, during treatment, and three times after completion of treatment, the last occurring one year after termination. Repeated measures analyses of variance assessed group differences at the five time points. Parent-, peer-, and self-evaluations of dental-facial attractiveness significantly improved after treatment, but treatment did not affect parent- and self-reported social competency or social goals, nor subjects' self-esteem. In summary, dental-specific evaluations appear to be influenced by treatment, while more general psychosocial responses are not.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/44814/1/10865_2005_Article_BF01856884.pd

A randomised controlled trial of a brief intervention for illicit drug use linked to ASSIST screening in a primary healthcare setting: results from the Australian component of the World Health Organization Phase III ASSIST studies

This report presents the findings from the Australian component of the Phase III World Health Organization (WHO) Alcohol, Smoking and Substance Involvement Screening Test (ASSIST) randomised controlled trial investigating the effectiveness of a 5-10-min brief intervention (BI) for illicit drug use delivered in primary healthcare (PHC) settings. Participants (n=171) recruited from a South Australian PHC setting (sexual health clinic) who scored in the 'moderate risk' range on the ASSIST were randomly allocated to an intervention group or wait-list control group at baseline and were followed up 3 months later. The ASSIST was administered to both groups at baseline and follow up as a measure of relative risk. Those in the intervention group received a prescribed 10-step BI at baseline. The majority (n=63) of participants received the BI for amphetamine-type stimulants (ATS) or cannabis (n=17). There was a significant reduction in total illicit substance (P<0.001) and ATS Involvement (P<0.01) for those receiving the ASSIST-linked BI, compared with control participants. There was no significant effect on cannabis involvement. The results of this study demonstrate that the ASSIST-linked BI may be a reasonably easy and effective way of reducing illicit substance use by Australian PHC clients.Rachel Humeniuk, David A. L. Newcombe, Victoria Dennington and Robert Al

Traumatic brain injury research: How comparable are community and orthopaedic-injury control groups?

Abstract in: Final Program of the 2013 International Neuropsychological Society Mid-Year Meeting, held July 10-13, 2013, Amsterdam, The NetherlandsJ.L. Mathias, V. Dennington, S.C. Bowden & E.D. Biglerhttp://dx.doi.org/10.1017/S135561771300103

Community versus orthopaedic controls in traumatic brain injury research: how comparable are they?

BACKGROUND: Community (CC) or orthopaedic/injury (OC) control groups are typically used to evaluate the consequences of traumatic brain injuries (TBIs). Whereas CCs match for demographic variables and are readily available, OCs may additionally control for other preand post-injury variables but are more costly to recruit. Together, they enable an evaluation of brain- vs general-injury effects. However, the comparability of these two groups and the increase in control over confounding variables when OCs are used has rarely been examined. METHOD: The current study compared samples of CCs (n¼71) and OCs (n¼69), aged between 18–80, on a range of demographic (age, gender, education, socio-economic status), background (medical history, handedness), psychosocial (alcohol use, fatigue, pain, depression, social support, community integration, ‘post-concussion’ symptoms) and cognitive (motor and processing speed, memory, intellectual ability) variables. RESULTS: The two groups were comparable on all variables, except alcohol use, with the OC group having higher levels of alcohol consumption. However, alcohol use did not correlate with any other variable, including commonly used measures of outcome following TBI. CONCLUSION: The current findings suggest that an orthopaedic injury control group does not have any clear advantages over a carefully recruited community control group.J.L. Mathias, V. Dennington, S.C. Bowden and E.D. Bigle