Physicochemical Properties of 4-(4-Hydroxyphenyl)-butan-2-one ("Raspberry Ketone") Evaluated Using a Computational Chemistry Approach.

Raspberry ketone (RK) is a product of the phenylpropanoid pathway in a variety of plants and is the second most expensive natural flavouring in the world. It is also widely used as a nutritional supplement due to its reported ability to promote lipolysis and fat oxidation in vivo. We have evaluated the thermodynamics of RK using the correlation consistent ccCA-CBS-2 approach which afforded calculation of (inter alia) the enthalpy of formation. To obtain pK a, log D, electrode potential, solubility, and reactivity indices, we used TPSS/def2-TZVP geometries followed by single-point energies obtained at the M06-2X/def2-TZVPP level of theory. We obtained Δf H o = -299.4 ± 0.17 kJ·mol-1; the pK a and logD were found to be 9.95 and 1.84, respectively, consistent with chemometric predictions. Using the enthalpy of fusion obtained from theory, we evaluated the aqueous solubility of RK to be in the region of 2.5 mg·mL-1 which is in agreement with limited literature reports. In terms of reactivity, we obtained a formal electrode potential of 1.29 V (vs SHE) at pH 7.4 and 298.15 K. The HOMO-LUMO energy separation in an aqueous environment was found to be ca. 7.8 eV, suggesting moderate chemical reactivity. Analysis of the frontier molecular orbitals using conceptual density functional theory supported this and revealed a reactivity pattern consistent with the metabolite profile obtained in mammals, namely, a propensity for nucleophilic attack at the carbonyl carbon and electrophilic addition of the benzene ring.

Measuring goal progress using the goal-based outcome measure in Jigsaw - A primary care youth mental health service.

BACKGROUND: Jigsaw is a primary care youth mental health service designed to increase access to and utilisation of mental health supports for 12- to 25-year-olds. Effectiveness in community youth mental health services is typically assessed using standardised instruments. The aim of this study was to examine the effectiveness of Jigsaw's brief intervention model of support using an idiographic tool, the goal-based outcome (GBO) measure. The study also aimed to explore the type of goals set by young people engaging with this service. METHOD: The study sample consisted of a secondary dataset of 4839 young people aged 12-25 years (63.5% female, 36.5% male) who engaged with one of Jigsaw's 13 brief intervention services. Overall, 7366 goals set using the GBO were examined. Inductive thematic analysis was conducted to examine the type of goals set by young people, and inferential analyses were used to examine statistical and reliable changes in goal progress. RESULTS: The goals young people set focused on developing coping mechanisms and personal growth and managing interpersonal difficulties. Mean scores for progress towards goals improved significantly from pre- to postintervention. The reliable change index (RCI) indicated that change greater than 2.82 points represents reliable change on the GBO, with 78.6% of young people showing reliable improvement. Demographic characteristics did not impact goal progress. CONCLUSION: These findings suggest Jigsaw's brief intervention model of support is effective in assisting young people reach their goals and that the GBO is a suitable measure for young people attending a community-based youth mental health service.

Biphasic Effect of Curcuminoids on Oxidation of Postprandial Chylomicrons.

Chylomicrons are large, triglyceride-rich lipoproteins that transport dietary lipids and lipophilic micronutrients through the lymphatic system and into the venous circulation. They therefore represent a valuable means of investigating the bioavailability of a range of bioactive molecules. Curcuminoids have a complex reputation, with most in vitro studies suggesting a beneficial effect (e.g., as an antioxidant), while in vivo work is often, at best, equivocal. We have prepared a curcuminoid extract from fresh turmeric and investigated the transfer of curcuminoids to chylomicrons by rapid ultracentrifugation. We subsequently characterized the chylomicrons in terms of their susceptibility to oxidation. There was a dose-dependent relationship between the curcuminoid level in chylomicrons and decreased levels of preformed lipid hydroperoxides (P < .05), which was broadly mirrored by paraoxonase arylesterase activity. At lower dosages (1000-3000 mg), curcuminoids protected chylomicrons against copper(II)-mediated oxidation, but at higher levels (4000-5000 mg), a pro-oxidant effect was observed. In conclusion, we report a clear biphasic (hormetic) effect of curcuminoids on lipid oxidation, which supports the theory that low dosages of bioactive compounds can have beneficial effects, while higher dosages may have an equivocal or negative impact on the disease.

Wastewater treatment plants as a source of microplastics in river catchments.

It is now well established that the oceans contain significant accumulations of plastic debris but only very recently have studies began to look at sources of microplastics (MPs) in river catchments. This work measured MPs up- and downstream of six wastewater treatment plants (WWTPs) in different catchments with varying characteristics and found that all led to an increase in MPs in rivers. Nevertheless, the data collected indicated that there were other important sources of MPs in the catchments studied and that these may include atmospheric deposition, agricultural land to which sewage sludge has been applied, and diffuse release of secondary MPs following the breakdown of larger plastic items. MPs were comprised mainly of fibres, fragments, and flakes with pellets and beads only dominating at one site. Variation in MP pollution occurred over time and this difference was greater at some sites than others. A key research need is the further study of MP sources in river catchments to facilitate management efforts to reduce their presence in freshwater and marine environments.