Magnetic resonance in chemistry : MRC, 48 Suppl 1, S159-S170 (2010-09-08)
Boron-11 and silicon-29 NMR spectra of xSiO(2)-(1-x)B(2)O(3) glasses (x=0.40, 0.80 and 0.83) have been calculated using a combination of molecular dynamics (MD) simulations with density functional theory (DFT) calculations of NMR parameters. Structure models of 200 atoms have been generated
The mechanistic nature of the conversion of carbohydrates to the sustainable platform chemical 5-hydroxymethylfurfural (5-HMF) was revealed at the molecular level. A detailed study of the key sugar units involved in the biomass conversion process has shown that the simple
The availability of ultrafast pulses of coherent hard x rays from the Linac Coherent Light Source opens new opportunities for studies of atomic-scale dynamics in amorphous materials. Here, we show that single ultrafast coherent x-ray pulses can be used to
Drug and chemical toxicology, 33(1), 38-47 (2009-12-10)
CaO-SiO(2)-P(2)O(5)-B(2)O(3) glass ceramics directly bond to bone and have potential use as a bone substitute material. The present study evaluated the toxicity from subchronic intravenous administration of CaO-SiO(2)-P(2)O(5)-B(2)O(3) glass ceramics to male and female Sprague-Dawley rats. The rats were divided
Mg2B2O5 nanowires with (010) twins were synthesized for the first time using a catalyst-free method. The microstructure of the Mg2B2O5 nanowires has been extensively studied by cross-sectional high-resolution transmission electron microscopy. Nanoindentation tests were performed directly on individual nanowires to
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