1 The s-wave repulsion and deeply bound pionic atoms: fact and fancy * Fits to a large data set of pionic atoms show that the 'missing' s-wave repulsion is accounted for when a density dependence suggested recently by Weise is included in the isovector term of the s-wave pion optical potential. The importance of using large data sets is demonstrated and the role of deeply bound pionic atom stat...

Impurities segregated to grain boundaries of a material essentially alter its fracture behavior. A prime example is sulfur segregation-induced embrittlement of nickel, where an observed relation between sulfur-induced amorphization of grain boundaries and embrittlement remains unexplained. Here, 48x10(6)-atom reactive-force-field molecular dynamics simulations provide the missing link. Namely, ...

This paper presents a systematic computer aided framework for modeling and prediction of pure component and mixture properties for a very wide range of chemicals and properties. Together with the extended GC property models for pure component properties and mixtures, the framework provides a feature for prediction of missing group interaction parameters (for mixture properties) by employing an ...

In the title tetra-nuclear tin(IV) complex, [Sn(4)(CH(3))(8)(C(20)H(22)N(2)O(4))Cl(2)O(2)], there are three completely different tin-atom coordinations. One metal atom (site symmetry 2) adopts a distorted penta-gonal-bipyramidal SnC(2)N(2)O(3) coordination arising from the N,N',O,O'-tetra-dentate deprotonated Schiff base, two methyl groups in the axial sites and a μ(3)-O atom that also bonds to...

A comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions is presented. Herein, hydride and hydrogen atom transfer refer to reactions in which the electrons and protons transfer between the same donor and acceptor, while proton-coupled electron transfer (PCET) refers to reactions in which the electrons and protons transfer between different centers. Within these def...

In protein synthesis, 20 types of aminoacyl-tRNA synthetase (aaRS) are generally required in order to distinguish between the 20 types of amino acid so that each achieves strict recognition of the cognate amino acid and the cognate tRNA. In the crenarchaeon Sulfolobus tokodaii strain 7 (St), however, asparaginyl-tRNA synthetase (AsnRS) is missing. It is believed that AspRS instead produces Asp-...

place the root of the eukaryotic tree within the superior group of Euglenozoa or between Euglenozoa and other eukaryotes [9]. Our analyses show that ATOM represents the missing Tom40 protein in the mitochondria of T. brucei and of other trypanosomatids with no clear link to the bacterial proteins. Given that all eukaryotes analysed to date contain a Tom40 homologue, we propose that all mitochon...