On the validity of the cranking model for 2+-vibrations

The relation of the cranking model to more fundamental methods of determining the generator of a collective state is investigated for the quadrupole case. We are able to show that the heuristic procedure starting with an adiabatic change in the nuclear deformation and splitting the cranking operator according to main quantum number selection rules approximates the true collective states very well. However, for the low-lying collective state the analytic form of the cranking term is completely different from any type of scaling ansatz.     

Li4C60: a polymeric fulleride with a two-dimensional architecture and mixed interfullerene bonding motifs

All known fullerene polymers have interfullerene connections via either [2 + 2] cycloaddition or single C-C bonds. The high-resolution synchrotron X-ray powder diffraction technique was employed here to determine the crystal structure of the Li4C60 fulleride. We find that the ground state of Li4C60 is a two-dimensional polymer with monoclinic crystal symmetry and an unprecedented architecture, combining both the [2 + 2] cycloaddition and the single C-C bridging motifs. The small size of the Li+ cations is crucial in stabilizing the resulting tightly packed polymeric structure.     

Entrapment of ionic tris(2,2'-bipyridyl) ruthenium(II) in hydrophobic siliceous zeolite: O2 sensing in biological environments

Synthesis of the ionic dye, tris(2,2'-bipyridyl) ruthenium(II) chloride (Ru(bpy) 3 2+.2Cl (-)) within the supercages of a highly hydrophobic zeolite Y is reported. Use of the neutral precursor Ru(bpy)Cl 2(CO) 2 allowed for high loading levels of Ru(bpy) 3 2+ (1 per 7 and 25 supercages). The emission quenching of the Ru(bpy) 3 2+-zeolite crystals dispersed in polydimethoxysiloxane (PDMS) films by dissolved oxygen in water was examined. The quenching data as a function of oxygen concentration was fit to a linear Stern-Volmer plot ( R2 = 0.98). Using the Stern-Volmer plot as calibration, changes in concentration of dissolved oxygen due to reaction with glucose in the presence of glucose oxidase was monitored. Human monocyte-derived macrophages internalized the submicron-sized Ru(bpy) 3 2+-zeolite crystals, and intracellular oxygen concentrations initiated by zymosan-mediated oxidative burst could be monitored by measuring the emission from Ru(bpy) 3 2+ by confocal fluorescence microscopy.     

Parallel computing investigations for the projection method applied to the interface transport scheme of a two-phase flow by the method of characteristics

Numerical Algorithms - This paper deals with the discretization of the problem of mould filling in iron foundry and its numerical solution using a Schwarz domain decomposition method. An adapted...     

Spontaneous Chelation-Driven Reduction of the Neptunyl Cation in Aqueous Solution

Octadentate hydroxypyridinone (HOPO) and catecholamide (CAM) siderophore analogues are known to be efficacious chelators of the actinide cations, and these ligands are also capable of facilitating both activation and reduction of actinyl species. Utilizing X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopies, as well as cyclic voltammetry measurements, herein, we elucidate chelation-based mechanisms for driving reactivity and initiating redox processes in a family of neptunyl–HOPO and CAM complexes. Based on the selected chelator, the ability to control the oxidation state of neptunium and the speed of reduction and concurrent oxo group activation was demonstrated. Most notably, reduction kinetics for the Np^VO₂^+//Np^IV redox couple upon chelation by the ligands 3,4,3-LI(1,2-HOPO) and 3,4,3-LI(CAM)₂(1,2-HOPO)₂ was observed to be faster than ever reported, and in fact quicker than we could measure using either X-ray absorption spectroscopy or electrochemical techniques.     

Kernel-based interpolation at approximate Fekete points

Numerical Algorithms - We construct approximate Fekete point sets for kernel-based interpolation by maximising the determinant of a kernel Gram matrix obtained via truncation of an orthonormal...     

Science Self‐Efficacy of Preservice Teachers in Face‐to‐Face versus Blended Environments

Using a quasi‐experimental mixed methods concurrent design, this study measured the science self‐efficacy of pre‐service elementary teachers before and after a survey of science content course. Further, this course was delivered in two different formats: face‐to‐face and hybrid (approximately 50% online), and compared pre‐and post‐science self‐efficacy of students in the two different course formats. Our quantitative results showed increases in personal efficacy, but not outcome expectancy for both formats, and no significant differences between the increases for either format. Our qualitative data showed that participants attributed their increased levels of personal efficacy to the hands‐on components of the course, as well as perceived teacher attitudes toward science, both of which would be challenging to replicate in a purely online format, as opposed to the hybrid format included in this study.