The geometries and energetics of complexes of Li(+), Na(+), K(+), Be(2+), Mg(2+), and Ca(2+)metal cations with different possible uric acid anions (urate) were studied. The complexes were optimized at the B3LYP level and the 6-311++G(d,p) basis set. Complexes of urate with Mg(2+), and Ca(2+)metal cations were also optimized at the MP2/6-31+G(d) level. Single point energy calculations were perfo...

An all-solid-state, lightweight, flexible, and wearable polymer solar cell (PSC) textile with reasonable photovoltaic performance has been developed. A metal textile electrode made from micrometer-sized metal wires is used as the cathode, and the surfaces of the metal wires are dip-coated with the photoactive layers. Two ultrathin, transparent, and aligned carbon nanotube sheets that exhibit re...

We examined the metal ion cofactor preference for MST3 (mammalian Ste20-like kinase 3) of the Ste20 serine/threonine kinase family. Four metal ions (Mg(+2), Mn(+2), Zn(2+), and Co(2+)) activate endogenous, exogenous, and baculovirus-expressed recombinant MST3 within the physiological concentration range. In contrast, Fe(+2) and Ca(+2) do not function as MST3 cofactors. Mn(2+), Co(2+), and Mg(2+...

To predict internal metal concentrations in animals under specific environmental exposures, the relationship between the exposure concentrations and values of toxicokinetic parameters must be known. At high exposure levels, the availability of carriers transporting metal ions through cellular membranes may become limited, thereby decreasing the assimilation rates (k A ). Furthermore, increased ...

Effort of reducing CO₂ emissions in developing countries may require an increasing utilization of biomass fuels. Biomass pellets seem well-suited for residential biomass markets. However, there is limited quantitative information on pollutant emissions from biomass pellets burning, especially those measured in real applications. In this study, biomass pellets and raw biomass fuels were burned i...

This study investigated the biological activities of 70% methanol extracts from black chokeberry and blueberry by measuring DPPH, superoxide anion and ABTS radical scavenging activities, metal chelating effect, reducing power, and nitrite scavenging activity. Extraction yields of black chokeberry and blueberry were 62.90% and 67.09%, respectively. Total polyphenol and total flavonoid contents w...

Cadmium and lead are highly toxic metals. People are exposed to them primarily through food and water. Available conventional methods (precipitation, flocculation, ion exchange, and membrane filtration) for removal of these metals from water at low concentrations are claimed to be expensive and inefficient. Different microbes have been proposed to be an efficient and economical alternative in h...

Lygeum spartum is a native species in semiarid Mediterranean areas that grows spontaneously on acid mine tailings. We aimed to study the suitability of this plant for phytostabilization. L. spartum was grown from both seeds and rhizomes in acid mine tailings with various fertilizer and lime treatments. Untreated soils had a solution pH of 2.9 with high concentrations of dissolved salts (Electri...

The role of steps in the dissociation of molecules on metal surfaces has been extensively investigated in the past. In particular, both theoretical calculations and experimental results for H(2) dissociation on transition metal (TM) surfaces show that steps can significantly increase the reactivity, leading to higher metal-H binding energies and lower activation energies. Here we have used dens...

Studies of oxygen equilibrium properties of Mg(II)-Fe(II) and Zn(II)-Fe(II) hybrid hemoglobins (i.e. alpha2(Fe)beta2(M) and alpha2(M)beta2(Fe); M=Mg(II), Zn(II) (neither of these closed-shell metal ions binds oxygen or carbon monoxide)) are reported along with the X-ray crystal structures of alpha2(Fe)beta2(Mg) with and without CO bound. We found that Mg(II)-Fe(II) hybrids resemble Zn(II)-Fe(II...