A short introduction to periodic bandstructure methods suitable for the calculation of Mössbauer parameters is presented. These methods are based on density functional theory (because we want to treat big and complicated systems) and must be accurate not only in the bonding region (like pseudopotential approaches), but also near the atomic nuclei since Mössbauer parameters depend crucially on t...

The authors present the self-consistent implementation and validation of MGGA density functionals in highly accurate all-electron augmented plane wave based (APW) method for simulation solid-state materials. are third level functional approximations on Jacob's ladder exchange-correlation functionals. WIEN2k APW code is discussed validated using calculations band gaps, lattice constants, magneti...

While antibiotic pollution has attracted considerable attention due to its potential in promoting the dissemination of antibiotic resistance genes in the environment, the antibiotic activity of their related substances has been neglected, which may underestimate the environmental impacts of antibiotic wastewater discharge. In this study, a real-time quantitative approach was established to eval...

e present a case of a 23-year-old man with Shone's complex, including bicuspid aortic valve, coarctation of the aorta status post neonatal repair and subsequent stent placement, mitral valve stenosis status post valve repair, and eventual replacement 1 year before the current presentation. A noncontrast thoracic computed tomography scan was performed after his mitral valve replacement to invest...

The Arterial Pressure Waveform (APW) can provide essential information about arterial wall integrity and arterial stiffness. Most of APW analysis frameworks individually process each hemodynamic parameter and do not evaluate inter-dependencies in the overall pulse morphology. The key contribution of this work is the use of machine learning algorithms to deal with vectorized features extracted f...

Climate change is predicted to increase sea level and cause saline intrusion of coastal freshwaters. This will have consequences for freshwater organisms inhabiting such areas; developmental phenotypic plasticity may facilitate the persistence of freshwater species under such scenarios of increased salinity. Here we investigated developmental plasticity under different salinity treatments (S = ...

Aorto-pulmonary window is a relatively rare congenital cardiac malformation with an overall incidence of 0.1%. Pulmonary hypertension develops quickly if the lesion is left untreated hence early surgical intervention is warranted after diagnosis. The surgery for correction of APW has evolved over years, currently an open repair on cardiopulmonary bypass (CPB) with a single patch technique yield...