Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo Activity.

Creating sustainable and stable semiconductors for energy conversion via catalysis, such as water splitting and carbon dioxide reduction, is a major challenge in modern materials chemistry, propelled by the limited and dwindling reserves of platinum group metals. Two-dimensional hexagonal borocarbonitride (h-BCN) is a metal-free alternative and ternary semiconductor, possessing tunable electronic properties between that of hexagonal boron nitride (h-BN) and graphene, and has attracted significant attention as a nonmetallic catalyst for a host of technologically relevant chemical reactions. Herein, we use density functional theory to investigate the stability and optoelectronic properties of phase-separated monolayer h-BCN structures, varying carbon concentration and domain size.

Plant Cell Culture-Derived Saponin Adjuvant Enhances Immune Response Against a Stabilized Human Metapneumovirus Pre-Fusion Vaccine Candidate.

Unlabelled: Human metapneumovirus (HMPV) is a significant respiratory pathogen, particularly in vulnerable populations.

Background: No vaccine for the prevention of HMPV is currently licensed, although several subunit vaccines are in development. Saponin-based adjuvant systems (AS), including QS-21, have transformed the field of subunit vaccines by dramatically increasing their potency and efficacy, leading to the development of several licensed vaccines.

10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series of = 1 Fe═O Complexes Over the = 2 [(TQA)Fe═O] Complex via Entropic Lowering of Reaction Barriers by Secondary Sphere Cycloalkyl Substitution.

Nonheme iron enzymes utilize = 2 iron(IV)-oxo intermediates as oxidants in biological oxygenations. In contrast, corresponding synthetic nonheme Fe═O complexes characterized to date favor the = 1 ground state that generally shows much poorer oxidative reactivity than their = 2 counterparts. However, one intriguing exception found by Nam a decade ago is the = 1 [Fe(O)(MeNTB)] complex (MeNTB = [tris((-methyl-benzimidazol-2-yl)methyl)amine], ) with a hydrogen atom transfer (HAT) reactivity that is 70% that of the = 2 [Fe(O)(TQA)] complex (TQA = tris(2-quinolylmethyl)amine, ).

Enhanced Proton-Coupled Electron-Transfer Reactivity by a Mononuclear Nickel(II) Hydroxide Radical Complex.

The synthesis, characterization, and reactivity of a NiOH core bearing a tridentate redox-active ligand capable of reaching three molecular oxidation states is presented in this paper. The reduced complex [LNiOH] was characterized by single-crystal X-ray diffraction analysis, depicting a square-planar NiOH core stabilized by intramolecular H-bonding interactions. Cyclic voltammetry measurements indicated that [LNiOH] can be reversibly oxidized to [LNiOH] and [LNiOH] at very negative reduction potentials (-1.

Variation in surgery postponement rates in the NHS in England.

Introduction: Postponement of surgery at preoperative assessment in the days or weeks before the patient is admitted for surgery, as distinct from cancellation on the planned day of surgery, can be devastating for patients and an inefficient use of finite resources. However, postponements are often poorly recorded. The primary aim of this pilot study was to investigate elective surgical postponement rates during or after preoperative assessment across England, and the reasons for postponement for patients on an elective surgical pathway.