Search results for "strontium"
showing 10 items of 195 documents
Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces
2005
Abstract We present the results of first-principles calculations on two possible terminations of the (0 0 1) surfaces of SrTiO3, BaTiO3, and PbTiO3 perovskite crystals. Atomic structure and the electronic configurations were calculated for different 2D slabs, both stoichiometric and non-stoichiometric, using hybrid (B3PW) exchange-correlation technique and re-optimized basis sets of atomic (Gaussian) orbitals. Results are compared with previous calculations and available experimental data. The electronic density distribution near the surface and covalency effects are discussed in details for all three perovskites. Both SrTiO3 and BaTiO3 (0 0 1) surfaces demonstrate reduction of the optical …
Burned bones forensic investigations employing near infrared spectroscopy
2017
The use of near infrared (NIR) spectroscopy was evaluated, by using chemometric tools, for the study of the environmental impact on burned bones. Spectra of internal and external parts of burned bones, together with sediment samples, were treated by Principal Component Analysis and cluster classification as exploratory techniques to select burned bone samples, less affected by environmental processes, to properly carry out forensic studies. Partial Least Square Discriminant Analysis was used to build a model to classify bone samples based on their burning conditions, providing an efficient and accurate method to discern calcined and carbonized bone. Additionally, Partial Least Square regres…
Trapping Amorphous Intermediates of Carbonates – A Combined Total Scattering and NMR Study
2018
Crystallization via metastable phases plays an important role in chemical manufacturing, biomineralization, and protein crystallization, but the kinetic pathways leading from metastable phases to the stable crystalline modifications are not well understood. In particular, the fast crystallization of amorphous intermediates makes a detailed characterization challenging. To circumvent this problem, we devised a system that allows trapping and stabilizing the amorphous intermediates of representative carbonates (calcium, strontium, barium, manganese, and cadmium). The long-term stabilization of these transient species enabled a detailed investigation of their composition, structure, and morpho…
Luminescence and ultraviolet excitation spectroscopy of SrI2 and SrI2:Eu2+
2013
Abstract We report measurements of luminescence and its ultraviolet excitation spectra in SrI2 and SrI2:Eu2+ at temperatures of 10 and 300 K. Attention is focused on determining the exciton energy and its temperature shift from features of the excitation spectra and limits placed by absorption spectroscopy on a 120 μm thin crystal, on observation of a broadened Eu emission band attributed to trace Eu associated with oxygen in nominally undoped crystals, and on adding observations concerning the 3.4 eV band at low temperature attributed by Pustovarov et al. to the self-trapped exciton.
Synthesis and crystal structure of novel Ruddlesden–Popper strontium niobium oxynitrides
2002
Abstract The family (SrO)(SrNbO 2-x N) n is the first example of Ruddlesden-Popper strontium niobium oxynitrides and provides layered structures to obtain mixed valence niobium compounds with a variety of oxidation states and transport properties. We have prepared members with n =1 (Sr 2 NbO 3 N) and n =2 (Sr 3 Nb 2 O 5 N 2 ) by solid state reaction of Nb 2 O 5 and SrCO 3 at 900–1050 °C under ammonia flow. These compounds crystallize in the I4/mmm space group and show a range of anionic stoichiometry that together with the N/O ratio determines the formal oxidation state for niobium and therefore the resultant physical properties. Samples of the n =1 member show mixed valence Nb 5+ /Nb 4+ an…
Mineral Profile of Children’s Fast Food Menu Samples
2017
Abstract Children’s fast food menus, including hamburgers served with french fries, dessert, and a soft drink, were analyzed to obtain the mineral profile of trace elements. The developed analytical methodology involved sample digestion under pressure inside a microwave oven with a mixture of HNO3 and H2O2 and inductively coupled plasma-optical emission spectrometry. The method was validated by carrying out the analysis of certified reference materials (NIST 1570a spinach leaves, NCS ZC73016 chicken, and NIST 1568a rice flour) and using recovery experiments. Repeatability was verified by analyzing replicate samples. Twenty-six elements were studied, 12 of which—aluminum, barium, calcium, co…
X-ray Studies of Debye Temperature of Some ABO 3 Perovskites
2002
Debye temperatures T D of some perovskite compounds are determined by X-ray diffraction. Correlation between T D determined at T=180 °C, mean square displacements of atoms, quasi-elastic coupling, and melting temperature of the perovskite compounds is analysed.
The new frontier of bone formation: a breakthrough in postmenopausal osteoporosis?
2009
Osteoporosis is a chronic disease that accelerates after menopause in many women. Most of the pharmacologic attempts to control the disease, such as hormone therapy, have emphasized the constraint of bone resorption. Since recent years have witnessed important advances in the field of bone formation, this review aims to update the present knowledge on the mechanisms affecting osteoblastogenesis and on the therapeutic results achieved by recently approved drugs.We sought peer-reviewed, full-length basic and clinical articles published between 1995 and May 2008 using a PubMed search strategy, with the terms osteoporosis and osteoblast, osteoporosis and strontium ranelate, and osteoporosis and…
Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations
2000
Abstract The (110) surface relaxations were calculated for SrTiO 3 and BaTiO 3 perovskites in a cubic phase. Using a shell model, the positions of atoms in 16 near- surface layers placed atop a slab of rigid ions are calculated. The strong surface rumpling and induced surface dipole moments perpendicular to the surface are predicted for both the O-terminated and TiO-terminated surfaces.
Biosilica-Based Strategies for Treatment of Osteoporosis and Other Bone Diseases
2011
Osteoporosis is a common disease in later life, which has become a growing public health problem. This degenerative bone disease primarily affects postmenopausal women, but also men may suffer from reduced bone mineral density. The development of prophylactic treatments and medications of osteoporosis has become an urgent issue due to the increasing proportion of the elderly in the population. Apart from medical/hormonal treatments, current strategies for prophylaxis of osteoporosis are primarily based on calcium supplementation as a main constituent of bone hydroxyapatite mineral. Despite previous reports suggesting an essential role in skeletal growth and development, the significance of …