Menus of kuratowski subgraphs

Motivated by heuristic embedding algorithms, this paper is concerned with the organization of potentially large lists of Kuratowski subgraphs of an arbitrary nonpianar graph. A graphical structure called a "nearly Hamiltonian" graph is defined. It is shown that lists of Kuralowski subgraphs can be lexicographically organized in such structures. It is shown that any nonpianar graph contains such structures and at least one such structure with a nonempty list of Kuratowski subgraphs can be located in linear time in ihe edges of the graph.     

Weighted least squares,polyad analyses,and theoretical consistency: A demonstrative example: The 12CH3F molecule

A comprehensive approach of the simultaneous analysis of several complex vibrational polyads in polyatomic molecules is presented. Specific points regarding theoretical models and weighted least-squares procedures are discussed with the aim of determining a unique set of parameter values for reproducing all available data on a given molecule. The simultaneous analysis of the dyad $\text{ν}{}_2\text{ν}{}_5$ and the pentad $\text{ν}{}_1\text{/ν}{}_4\text{/2ν}{}_2\text{/ν}{}_2\text{+}\text{ν}{}_5\text{2ν}{}_5$ of ¹²CH₃F using microwave and infrared data is reported as an illustration.     

Evidence for a role of glutamate as an efferent transmitter in taste buds

Background  

Glutamate has been proposed as a transmitter in the peripheral taste system in addition to its well-documented role as an umami taste stimulus. Evidence for a role as a transmitter includes the presence of ionotropic glutamate receptors in nerve fibers and taste cells, as well as the expression of the glutamate transporter GLAST in Type I taste cells. However, the source and targets of glutamate in lingual tissue are unclear. In the present study, we used molecular, physiological and immunohistochemical methods to investigate the origin of glutamate as well as the targeted receptors in taste buds.     

The strength of weak proximity

This paper studies weak proximity drawings of graphs and demonstrates their advantages over strong proximity drawings in certain cases. Weak proximity drawings are straight line drawings such that if the proximity region of two points p and q representing vertices is devoid of other points representing vertices, then segment (p,q) is allowed, but not forced, to appear in the drawing. This differs from the usual, strong, notion of proximity drawing in which such segments must appear in the drawing.Most previously studied proximity regions are associated with a parameter β, 0β∞. For fixed β, weak β-drawability is at least as expressive as strong β-drawability, as a strong β-drawing is also a weak one. We give examples of graph families and β values where the two notions coincide, and a situation in which it is NP-hard to determine weak β-drawability. On the other hand, we give situations where weak proximity significantly increases the expressive power of β-drawability: we show that every graph has, for all sufficiently small β, a weak β-proximity drawing that is computable in linear time, and we show that every tree has, for every β less than 2, a weak β-drawing that is computable in linear time.     

Mitsunobu dehydration of N-Boc neomycin B

Reaction of hexa-N-Boc neomycin B with TPP and DIAD in toluene results in the formation of an epoxide in ring IV, not an aziridine or azetidine as previously reported.     

On solving trust-region and other regularised subproblems in optimization

The solution of trust-region and regularisation subproblems that arise in unconstrained optimization is considered. Building on the pioneering work of Gay, Moré and Sorensen, methods that obtain the solution of a sequence of parametrized linear systems by factorization are used. Enhancements using high-order polynomial approximation and inverse iteration ensure that the resulting method is both globally and asymptotically at least superlinearly convergent in all cases, including the notorious hard case. Numerical experiments validate the effectiveness of our approach. The resulting software is available as packages TRS{\tt TRS} and RQS{\tt RQS} as part of the GALAHAD optimization library, and is especially designed for large-scale problems.     

X-ray absorption spectroscopy under high pressures in diamond anvil cells

Abstract

Although potentially extremely important for understanding the high-pressure microscopic behaviour of materials, over the years the area of high-pressure EXAFS in particular using diamond anvil cells has proved to be technically difficult. This has significantly hampered its development. The interference of X-ray dimaction from the diamonds in the diamond anvil cell with the absorption signal has proved to be a challenging problem to tackle, restricting the use of high-pressure EXAFS to energies below about 11 key Below 11 keV however the technique is also limited due to absorption of incident X-rays by the diamonds making it virtually impossible to conduct X-ray absorption experiments below about 9keV In this paper we describe in detail the methodology for scanriirig high-pressure EXAFS in diamond anvil cells and examine the origins of the associated problems and ways of dealing with them. We also demonstrate that it is possible to extend the useful range of studied absorption edges from 7keV up to at least 30keV This brings about new opportunities for high pressure EXAFS using diamond anvil cells.