Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters

Photoelectron velocity map imaging of Li(CH$_3$OCH$_3$)$_n$ clusters (1 $\leq$ n $\leq$ 175) is used to search for magic numbers related to the photoelectron anisotropy. Comparison with density functional calculations reveals magic numbers at n=4, 5, and 6, resulting from the symmetric charge distribution with high s-character of the highest occupied molecular orbital. Since each of these three cluster sizes correspond to the completion of a first coordination shell, they can be considered as 'isomeric motifs of the first coordination shell'. Differences in the photoelectron anisotropy, the vertical ionization energies and the enthalpies of vaporization between Li(CH$_3$OCH$_3$)$_n$ and Na(CH$_3$OCH$_3$)$_n$ can be rationalized in terms of differences in their solvation shells, atomic ionization energies, polarizabilities, metal-oxygen bonds, ligand-ligand interactions, and by cooperative effects

Colourings of cubic graphs inducing isomorphic monochromatic subgraphs

A $k$-bisection of a bridgeless cubic graph $G$ is a $2$-colouring of its vertex set such that the colour classes have the same cardinality and all connected components in the two subgraphs induced by the colour classes (monochromatic components in what follows) have order at most $k$. Ban and Linial conjectured that every bridgeless cubic graph admits a $2$-bisection except for the Petersen graph. A similar problem for the edge set of cubic graphs has been studied: Wormald conjectured that every cubic graph $G$ with $|E(G)| \equiv 0 \pmod 2$ has a $2$-edge colouring such that the two monochromatic subgraphs are isomorphic linear forests (i.e. a forest whose components are paths). Finally, Ando conjectured that every cubic graph admits a bisection such that the two induced monochromatic subgraphs are isomorphic. In this paper, we give a detailed insight into the conjectures of Ban-Linial and Wormald and provide evidence of a strong relation of both of them with Ando's conjecture. Furthermore, we also give computational and theoretical evidence in their support. As a result, we pose some open problems stronger than the above mentioned conjectures. Moreover, we prove Ban-Linial's conjecture for cubic cycle permutation graphs. As a by-product of studying $2$-edge colourings of cubic graphs having linear forests as monochromatic components, we also give a negative answer to a problem posed by Jackson and Wormald about certain decompositions of cubic graphs into linear forests.Comment: 33 pages; submitted for publicatio

Imaging geometry through dynamics: the observable representation

For many stochastic processes there is an underlying coordinate space, $V$, with the process moving from point to point in $V$ or on variables (such as spin configurations) defined with respect to $V$. There is a matrix of transition probabilities (whether between points in $V$ or between variables defined on $V$) and we focus on its ``slow'' eigenvectors, those with eigenvalues closest to that of the stationary eigenvector. These eigenvectors are the ``observables,'' and they can be used to recover geometrical features of $V$

Coriolis force in Geophysics: an elementary introduction and examples

We show how Geophysics may illustrate and thus improve classical Mechanics lectures concerning the study of Coriolis force effects. We are then interested in atmospheric as well as oceanic phenomena we are familiar with, and are for that reason of pedagogical and practical interest. Our aim is to model them in a very simple way to bring out the physical phenomena that are involved.Comment: Accepted for publication in European Journal of Physic

Deutsch-Jozsa algorithm as a test of quantum computation

A redundancy in the existing Deutsch-Jozsa quantum algorithm is removed and a refined algorithm, which reduces the size of the register and simplifies the function evaluation, is proposed. The refined version allows a simpler analysis of the use of entanglement between the qubits in the algorithm and provides criteria for deciding when the Deutsch-Jozsa algorithm constitutes a meaningful test of quantum computation.Comment: 10 pages, 2 figures, RevTex, Approved for publication in Phys Rev

Structural Insight into KCNQ (Kv7) Channel Assembly and Channelopathy

SummaryKv7.x (KCNQ) voltage-gated potassium channels form the cardiac and auditory IKs current and the neuronal M-current. The five Kv7 subtypes have distinct assembly preferences encoded by a C-terminal cytoplasmic assembly domain, the A-domain Tail. Here, we present the high-resolution structure of the Kv7.4 A-domain Tail together with biochemical experiments that show that the domain is a self-assembling, parallel, four-stranded coiled coil. Structural analysis and biochemical studies indicate conservation of the coiled coil in all Kv7 subtypes and that a limited set of interactions encode assembly specificity determinants. Kv7 mutations have prominent roles in arrhythmias, deafness, and epilepsy. The structure together with biochemical data indicate that A-domain Tail arrhythmia mutations cluster on the solvent-accessible surface of the subunit interface at a likely site of action for modulatory proteins. Together, the data provide a framework for understanding Kv7 assembly specificity and the molecular basis of a distinct set of Kv7 channelopathies

Lie symmetry analysis and exact solutions of the quasi-geostrophic two-layer problem

The quasi-geostrophic two-layer model is of superior interest in dynamic meteorology since it is one of the easiest ways to study baroclinic processes in geophysical fluid dynamics. The complete set of point symmetries of the two-layer equations is determined. An optimal set of one- and two-dimensional inequivalent subalgebras of the maximal Lie invariance algebra is constructed. On the basis of these subalgebras we exhaustively carry out group-invariant reduction and compute various classes of exact solutions. Where possible, reference to the physical meaning of the exact solutions is given. In particular, the well-known baroclinic Rossby wave solutions in the two-layer model are rediscovered.Comment: Extended version, 24 pages, 1 figur

What grounded theory is ... a critically reflective conversation among scholars

Grounded theory (GT) is taught in many doctoral schools across the world and exemplified in most methodological books and publications in top-tier journals as a qualitative research method. This limited view of GT does not allow full use of possible resources and restrains researchers’ creativity and capabilities. Thus, it blocks some innovative possibilities and the emergence of valuable theories, which are badly needed. Therefore, understanding the full reach and scope of GT is becoming urgent, and we brought together a panel of established grounded theory scholars to help us in this endeavor through a reflective conversation

Implementation and performance of SIBYLS: a dual endstation small-angle X-ray scattering and macromolecular crystallography beamline at the Advanced Light Source.

The SIBYLS beamline (12.3.1) of the Advanced Light Source at Lawrence Berkeley National Laboratory, supported by the US Department of Energy and the National Institutes of Health, is optimized for both small-angle X-ray scattering (SAXS) and macromolecular crystallography (MX), making it unique among the world's mostly SAXS or MX dedicated beamlines. Since SIBYLS was commissioned, assessments of the limitations and advantages of a combined SAXS and MX beamline have suggested new strategies for integration and optimal data collection methods and have led to additional hardware and software enhancements. Features described include a dual mode monochromator [containing both Si(111) crystals and Mo/B(4)C multilayer elements], rapid beamline optics conversion between SAXS and MX modes, active beam stabilization, sample-loading robotics, and mail-in and remote data collection. These features allow users to gain valuable insights from both dynamic solution scattering and high-resolution atomic diffraction experiments performed at a single synchrotron beamline. Key practical issues considered for data collection and analysis include radiation damage, structural ensembles, alternative conformers and flexibility. SIBYLS develops and applies efficient combined MX and SAXS methods that deliver high-impact results by providing robust cost-effective routes to connect structures to biology and by performing experiments that aid beamline designs for next generation light sources