Four types of reaction mechanisms for the oxo ligand exchange of monomeric and dimeric neptunyl(VI) hydroxide in aqueous solution were explored computationally using density functional theory (DFT) and ab initio classical molecular dynamics. The obtained results were compared with previous studies on the oxo exchange of uranyl hydroxide, as well as with experiments. It is found that the stable ...

The structures, energetics, electronic properties, and spectra of hydrated hydroxide anions are studied using density functional and high level ab initio calculations. The overall structures and binding energies are similar to the hydrated anion clusters, in particular, to the hydrated fluoride anion clusters except for the tetrahydrated clusters and hexahydrated clusters. In tetrahydrated syst...

Two organic sensitisers 4-biphenylcarboxylate (BPC) and terephthalate (TA) were intercalated into the gallery of layered europium hydroxide (LEuH). PL spectra tests indicated that BPC markedly enhanced the red luminescence of Eu(3+) due to efficient energy transfer between BPC and Eu(3+), forming a contrast to intercalated TA and the starting NO(3)(-) anions in the gallery. The energy level mat...

Ksharasutra (parasurgical procedure using a thread treated by alkalies) is being practiced in Indian system of medicine since ancient time for management of ano-rectal disorders; particularly for Bhagandara, (fistula in ano), and generally difficult to treat. In this case series, standard Ksharasutra was prepared as per the Ayurvedic Pharmacopeia of India and used to treat the different cases o...

Magnesium borate hydroxide (MBH) nanowhiskers were synthesized using a one step hydrothermal process with different surfactants. The effect surfactants have on the structure and morphology of the MBH nanowhiskers has been investigated. The X-ray diffraction profile confirms that the as-synthesized material is of single phase, monoclinic MgBO(2)(OH). The variations in the size and shape of the d...

One-pot synthesis of ruthenium hydroxide nanoparticles on magnetic silica is described which involves the in situ generation of magnetic silica (Fe(3)O(4)@SiO(2)) and ruthenium hydroxide immobilization; the hydration of nitriles occurs in high yield and excellent selectivity using this catalyst which proceeds exclusively in aqueous medium under neutral conditions.

The magnetic properties response of the layered hybrid material copper hydroxide acetate Cu2(OH)3CH3COO·H2O is studied as a function of the applied pressure within first-principles molecular dynamics. We are able to elucidate the interplay between the structural properties of this material and its magnetic character, both at the local (atomic) level and at the bulk level. We performed a detaile...

preparation prior to video capsule endoscopy (VCE) is as essential as bowel preparation prior to colonoscopy, since several factors, such as food material, air bubbles in the small bowel and delayed gastric and small bowel transit time (SBTT) influence the small bowel visualization quality (SBVQ), diagnostic yield (DY), and completion rate (CR). The 2009 Euro-pean Society of Gastrointestinal En...