2,135 research outputs found
Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters
Photoelectron velocity map imaging of Li(CHOCH) clusters (1
n 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(CHOCH) and Na(CHOCH) 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 -bisection of a bridgeless cubic graph is a -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 . Ban and
Linial conjectured that every bridgeless cubic graph admits a -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 with
has a -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 -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, ,
with the process moving from point to point in or on variables (such as
spin configurations) defined with respect to . There is a matrix of
transition probabilities (whether between points in or between variables
defined on ) 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
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
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