In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole.

Electrides, in which anionic electrons are localized independently of the atoms in the compound, have shown promise, especially as catalysts and optoelectronic materials. Here, we present a new computationally designed molecular electride, Li@calix[3]pyrrole (Li@C3P). Electron density and electron localization function analyses unequivocally confirm the existence of localized electride electron density, outside the system, independent of any specific atoms.

Promoting mental health and wellbeing in schools: the impact of yoga on young people's relaxation and stress levels.

This study aimed to examine students' experiences with yoga interventions in school. The findings revealed that practicing yoga made young people more aware of their need to relax and positively impacted their mental health and wellbeing. We explored the emphasis on relaxation among our study participants and how relaxation is related to other aspects, such as their experience of stress and sleep habits.

Early-Stage Formation of the SIFSIX-3-Zn Metal-Organic Framework: An Automated Computational Study.

Metal-organic frameworks (MOFs) have attracted significant attention over the past 2 decades due to their wide applicability as functional materials. However, targeted synthesis of novel MOFs remains problematic as their formation mechanisms are poorly understood, which forces us to rely on serendipity in the synthesis of novel MOFs. Here, we demonstrate a workflow employing the artificial force induced reaction (AFIR) method to investigate the self-assembly process of the node of the SIFSIX-3-Zn MOF, [Zn(pyz)(SiF)] (pyz = pyrazine), in an automated manner.

"I Just Find It Easier to Let Go of Anger": Reflections on the Ways in Which Yoga Influences How Young People Manage Their Emotions.

In this article we discuss how young people experienced a school-based yoga intervention. We pay particular attention to how yoga provides a space for young people to deal with their emotions. We base our discussion on qualitative data from young people in Norway who participated in the European research project "Hippocampus: Promoting Mental Health and Wellbeing among Young People through Yoga.

C-H Activation by RuCoO Oxo Cubanes: Effects of Oxyl Radical Character and Metal-Metal Cooperativity.

High-valent multimetallic-oxo/oxyl species have been implicated as intermediates in oxidative catalysis involving proton-coupled electron transfer (PCET) reactions, but the reactive nature of these oxo species has hindered the development of an in-depth understanding of their mechanisms and multimetallic character. The mechanism of C-H oxidation by previously reported RuCoO cubane complexes bearing a terminal Ru-oxo ligand, with significant oxyl radical character, was investigated. The rate-determining step involves H atom abstraction (HAA) from an organic substrate to generate a Ru-OH species and a carbon-centered radical.

tmQM Dataset-Quantum Geometries and Properties of 86k Transition Metal Complexes.

We report the transition metal quantum mechanics (tmQM) data set, which contains the geometries and properties of a large transition metal-organic compound space. tmQM comprises 86,665 mononuclear complexes extracted from the Cambridge Structural Database, including Werner, bioinorganic, and organometallic complexes based on a large variety of organic ligands and 30 transition metals (the 3d, 4d, and 5d from groups 3 to 12). All complexes are closed-shell, with a formal charge in the range {+1, 0, -1}.

Concerted Proton-Electron Transfer Reactivity at a Multimetallic CoO Cubane Cluster.

High-valent oxocobalt(IV) species have been invoked as key intermediates in oxidative catalysis, but investigations into the chemistry of proton-coupled redox reactions of such species have been limited. Herein, the reactivity of an established water oxidation catalyst, [CoO(OAc)(py)][PF], toward H-atom abstraction reactions is described. Mechanistic analyses and density functional theory (DFT) calculations support a concerted proton-electron transfer (CPET) pathway in which the high energy intermediates formed in stepwise pathways are bypassed.

Bipolar offspring and mothers: interactional challenges at infant age 3 and 12 months-a developmental pathway to enhanced risk?

Background: Bipolar offspring are considered a high-risk group for developing mental disorders. Developmental outcomes result from additive and interactive effects of biological vulnerability and environmental influences. Mother-infant interactions represent important early environmental influences that may modify infants' risk of mental disorders.

Measuring childhood maltreatment: Psychometric properties of the Norwegian version of the Maltreatment and Abuse Chronology of Exposure (MACE) scale.

Purpose: Adverse childhood experiences in sensitive periods of the developing brain render the individual at a life-long risk for a broad spectrum of aberrant health outcomes. However, there is a lack of scales for the comprehensive assessment of adverse childhood experiences providing information of various types and the age of occurrence. Based on the complete, experimental version of the Maltreatment and abuse chronology of exposure (MACE-X) scale, the present study aimed to develop and psychometrically test a Norwegian version of MACE.

Mothers with and without bipolar disorder and their infants: group differences in mother-infant interaction patterns at three months postpartum.

Background: Women with bipolar disorder (BD) have a high risk of illness relapse postpartum. The risk coincides with the period when mother-infant interactions are evolving. We compared mother-infant interactions in dyads where the mothers have BD with dyads where the mothers have no mental disorder.

Seeded Polymerization of an Amide-Functionalized Diketopyrrolopyrrole Dye in Aqueous Media.

The self-assembly of an amide-functionalized dithienyldiketopyrrolopyrrole (DPP) dye in aqueous media was achieved through seed-initiated supramolecular polymerization. Temperature- and time-dependent studies showed that the spontaneous polymerization of the DPP derivative was temporally delayed upon cooling the monomer solution in a methanol/water mixture. Theoretical calculations revealed that an amide-functionalized DPP derivative adopts an energetically favorable folded conformation in the presence of water molecules due to hydration.

"What if I get ill?" perinatal concerns and preparations in primi- and multiparous women with bipolar disorder.

Background: Women with bipolar disorder have a high risk of illness relapse postpartum, including psychosis. The aim of the study was to explore how perinatal women with bipolar disorder relate to the risk. What are their concerns? How do they prepare for the dual demands of mood episodes and motherhood?

Methods: A qualitative study was conducted.

Effect of pancreas disease caused by SAV 2 on protein and fat digestion in Atlantic salmon.

Salmonid alphavirus (SAV) causes pancreas disease (PD) in farmed Atlantic salmon (Salmo salar L.), and exocrine pancreas tissue is a primary target of the virus. Digestive enzymes secreted by the exocrine pancreas break down macromolecules in feed into smaller molecules that can be absorbed.

Putative early manifestations of bipolar II disorder emerge later in the initial prodrome than manifestations hypothesized to be unrelated: an exploratory study.

Aim: Symptom instances characterized as episodic or chronic, and as exaggerated responses to life events or inexplicable (e.g. mood swings, irritability/aggressiveness), may be the most likely early manifestations of the first episode of bipolar II disorder (BD-II).

Genuine clinical predictors of bipolar II disorder: an exploration of temporal and contextual characteristics.

Background: Symptoms of the initial prodrome of bipolar disorder (BD) are too nonspecific to reliably prospectively predict BD. An assessment of symptoms' temporal and contextual characteristics may help identify clinical indicators with enhanced predictive power.

Methods: Fifteen bipolar II disorder (BD-II) patients and 22 family members were interviewed about characteristics of symptoms that emerged before the first major affective episode (FMAE).

Symptoms and behaviors prior to the first major affective episode of bipolar II disorder. An exploratory study.

Background: Few studies have investigated the initial prodrome of bipolar disorders, and none has explicitly addressed bipolar II disorder (BD-II). We explored symptoms and behaviors preceding the first major affective episode (FMAE) of BD-II to generate hypotheses concerning possible clinical targets for early intervention.

Methods: In-depth interviews of 15 BD-II patients and 22 family informants were carried out.

Symptoms and signs of the initial prodrome of bipolar disorder: a systematic review.

Background: Systematic studies addressing symptoms, signs and temporal aspects of initial bipolar prodrome are reviewed to identify potential clinical targets for early intervention.

Methods: The databases PsycINFO, PubMed, EMBASE and British Nursing Index were searched for original studies.

Results: Eight studies were identified.