The Possible Aromatic Conjugation via the Different Edges of (Car)Borane Clusters: Can the Relationship Between 3D and 2D Aromatic Systems Be Reconciled?

The possible aromatic conjugation between 3D and 2D aromatic units is in the focus since the synthesis of benzocarborane. It has been showed that in the 3D aromatic icosahedral 1,2-dicarba-closo-dodecaborane systems fused with 2D aromatic rings a global 3D/2D aromaticity does not exist. Despite this fact during the last years several studies proposed interactions between 2D and 3D moieties.

Benchmark characterization of the multi-channel Cl + CHX [X = F, Cl, Br, I] reactive potential energy surfaces.

We determine benchmark geometries and relative energies for the stationary points of the Cl + CHX [X = F, Cl, Br, I] reactions. We consider four possible reaction pathways: hydrogen abstraction, hydrogen substitution, halogen abstraction, and halogen substitution, where the substitution processes can proceed either Walden inversion or front-side attack. We perform geometry optimizations and obtain harmonic vibrational frequencies at the explicitly-correlated UCCSD(T)-F12b/aug-cc-pVTZ level of theory, followed by UCCSD(T)-F12b/aug-cc-pVQZ single-point computations to make finite-basis-set error negligible.

Paediatric resident identification of cardiac emergencies.

Objectives: Critical CHD is associated with morbidity and mortality, worsened by delayed diagnosis. Paediatric residents are front-line clinicians, yet identification of congenital CHD remains challenging. Current exposure to cardiology is limited in paediatric resident education.

Safety of the Breast Cancer Adjuvant Radiotherapy in Ataxia-Telangiectasia Mutated Variant Carriers.

The Ataxia-Telangiectasia Mutated gene is implicated in DNA double-strand break repair. Controversies in clinical radiosensitivity remain known for monoallelic carriers of the pathogenic variant (PV). An evaluation of the single-nucleotide polymorphism (SNP) rs1801516 (G-A) showed different results regarding late subcutaneous fibrosis after breast radiation therapy (RT).