A database of 1470 collision cross sections (666 doubly- and 804 triply-charged) of alkaline-earth-coordinated tryptic peptide ions [where the cation (M(2+)) correspond to Mg(2+), Ca(2+), or Ba(2+)] is presented. The utility of such an extensive set of measurements is illustrated by extraction of general properties of M(2+)-coordinated peptide structures. Specifically, we derive sets of intrins...

Earth abundant element clathrate phases are of interest for a number of applications ranging from photovoltaics to thermoelectrics. Silicon-containing type I clathrate is a framework structure with the stoichiometry A8-xSi46 (A = guest atom such as alkali metal) that can be tuned by alloying and doping with other elements. The type I clathrate framework can be described as being composed of two...

Explorations of the A(1+)-RE(3+)-Mo(6+)-O(2-) (A(1+) is an alkali metal cation, RE(3+) is a rare-earth metal cation) quaternary systems prepared by the high-temperature solution growth method led to the title structure, sodium erbium bis-(molyb-date), NaEr(MoO(4))(2). It is isostructural to the scheelite structure (CaWO(4)) and is composed of [MoO(4)](2-) tetra-hedra with symmetry and [(Na/Er)O...

The title compound, neodymium sesquiselenide, is isotypic with the other known rare-earth metal(III) selenides M(2)Se(3) (M = La-Pr and Sm-Lu) with the cubic C-type structure. It adopts a cation-defective Th(3)P(4)-type arrangement with close to 8/9 of the unique neodymium-cation site occupied, leading to the composition Nd(2.667)Se(4) (Z = 4) or Nd(2)Se(3) (Z = 5.333), respectively. The Nd(3+)...

Hexa-methyl-phospho-ramide (hmp), tetra-thio-tungstate, silver sulfide and dysprosium nitrate were self-assembled, forming an anionic [AgWS(4)](n) (n) (-) chain in the title compound, {[Dy(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n). The central Dy atom in the cation is coordinated by eight O atoms from two didentate nitrate and four hmp ligands, giving rise to a distorted square anti-prismatic...

Cation-assisted interactions between N-containing heterocycles (NHCs) and CO2 have been systematically studied by using density functional theory (DFT). For neutral and anionic (non-carbenoid) NHCs, the effects of monovalent cations (i.e., alkali metal ions) are moderate to small (the NHC-CO2 binding energy change, ΔBE usually < 25 kJ mol(-1)). However, for NHC carbenes, due to their strong bas...

The morphology of ELF hiss events observed at low-latitude ground station Varanasi (L = 1.07, geomagnetic latitude 14°55¢N) are reported, which consist of two types: (1) events which propagated in ducted mode along the geomagnetic ®eld line corresponding to observing station Varanasi and (2) events which propagated in ducted mode along higher L-values (L = 4±6), after reaching the lower edge of...

Internal cation mobility ratios in molten (Ca, Ba)Cl2 have been measured by the Klemm method for xBa (mole fraction of barium chloride) = 0.25 0.51 at 973 K and xBa = 0 0.61 at 1073 K. From these and available data on the densities and conductivities the internal cation mobilities b have been calculated, assuming additivity of the molar volume. Although bCa in pure CaCl2 is greater than bBa in ...

Lithium holmium(III) polyphosphate(V), LiHo(PO(3))(4), belongs to the type I of polyphosphates with general formula ALn(PO(3))(4), where A is a monovalent cation and Ln is a trivalent rare earth cation. In the crystal structure, the polyphosphate chains spread along the b-axis direction, with a repeat period of four tetra-hedra and 2(1) inter-nal symmetry. The Li and Ho atoms are both located o...

Electrode potential measurements have been applied to study electrical characteristics like transport numbers, permselectivity & fixed charge density of ion-exchange membranes. Membrane potential measurements were made across zirconium phosphotungstate cation-exchange membrane maintained at 27◦C, using halide salts of alkali & alkaline earth metals as electrolytes. The effect of concentration o...