A detailed study of the mechanism by which a proton is lost from a dication reveals that such processes are more complicated than is often assumed. In many cases, a deprotonation reaction is best viewed as a two-stage process: Initially, the departing unit is better described as a hydrogen atom than as a proton and only later, at some point further along the decomposition pathway, does a sponta...

BACKGROUND The aim of the study was to derive and validate a novel risk score for early right-sided heart failure (RHF) after left ventricular assist device implantation. METHODS The EUROMACS (European Registry for Patients with Mechanical Circulatory Support) was used to identify adult patients undergoing continuous-flow left ventricular assist device implantation with mainstream devices. El...

BACKGROUND A quantitative and accurate measurement of the range of hip joint flexion (RHF) is necessarily required in the evaluation of disordered or artificial hip joint function. This study aimed to assess a novel method to measure RHF more accurately and objectively. METHODS Lateral radiographs were taken of 31 supine men with hip joints extended or flexed. Relevant angles were measured di...

The molecular mechanism underlying acute right heart failure (RHF) is poorly understood. We used pulmonary artery banding (PAB) to induce acute RHF characterized by a rapid rise of right ventricular pressure, and then a decrease in right ventricular pressure along with a decrease in blood pressure right after banding. We found higher brain natriuretic peptide (BNP) and beta-myosin heavy chain (...

Purified recombinant human heavy-chain (acidic) ferritin (rHF) was assessed in vivo in mice for effects on the proliferation (percentage of cells in S-phase) and absolute numbers of granulocyte-macrophage (CFU-GM), erythroid (BFU-E), and multipotential (CFU-GEMM) progenitor cells in the femur and spleen and on the nucleated cells in the marrow, spleen, and blood. rHF significantly decreased cyc...

The process of insertion of molecular oxygen and nitrogen into polyhedral oligomeric silsesquioxanes (POSS) has been investigated theoretically. Using ab initio methods, the N2interaction with the POSS has been described with restricted Hartree−Fock (RHF) with a triple-ζ basis set, while systems involving O2 require restricted open shell (ROHF) wave functions, to account for their open-shell gr...

While CCSD(T) with spin-restricted Hartree–Fock (RHF) orbitals has long been lauded for its ability to accurately describe closed-shell interactions, the performance of on open-shell species is much more erratic, especially when using a spin-unrestricted HF (UHF) reference. Previous studies have shown improved treatment systems non-HF set molecular orbitals, like Brueckner or Kohn–Sham density ...

AIMS Preliminary data suggest that right heart failure (RHF) may be more common in urban Africans than first suspected. We examined the characteristics and pathways to RHF in the Heart of Soweto cohort. METHODS AND RESULTS A clinical registry captured data from 5328 de novo presentations of heart disease to the Cardiology Unit, Chris Hani Baragwanath Hospital in Soweto, South Africa during 20...

The gradient for the fragment molecular orbital (FMO) method interfaced with effective fragment potentials (EFP), denoted by FMO∕EFP, was developed and applied to polypeptides solvated in water. The structures of neutral and zwitterionic tetraglycine immersed in water layers of 2.0, 2.5, 3.0, 3.5, 4.0, and 4.5 Å are investigated by performing FMO∕EFP geometry optimizations at the RHF∕cc-pVDZ le...