Molecular layering and local order in thin films of 1-alkyl-3-methylimidazolium ionic liquids using X-ray reflectivity

X-ray reflectivity measurements in air of thin films of 1-alkyl-3-methylimidazolium salts in the liquid, liquid crystalline and solid states supported on Si( 111) are described. The films show Bragg features in both liquid crystalline and solid phases, but only after an initial annealing cycle. Kiessig fringes are observed only for the 1-octadecyl-3-methyl-imidazolium hexafluorophosphate films and, following analysis using Parratt32, a bi-layer model is proposed whereby the molecules are orientated with ionic groups at both salt-air and salt-silicon interfaces.

Population-based local search for protein folding simulation in the MJ energy model and cubic lattices

We present experimental results on benchmark problems in 3D cubic lattice structures with the Miyazawa-Jernigan energy function for two local search procedures that utilise the pull-move set: (i) population-based local search (PLS) that traverses the energy landscape with greedy steps towards (potential) local minima followed by upward steps up to a certain level of the objective function; (ii) simulated annealing with a logarithmic cooling schedule (LSA). The parameter settings for PLS are derived from short LSA-runs executed in pre-processing and the procedure utilises tabu lists generated for each member of the population. In terms of the total number of energy function evaluations both methods perform equally well, however. PLS has the potential of being parallelised with an expected speed-up in the region of the population size. Furthermore, both methods require a significant smaller number of function evaluations when compared to Monte Carlo simulations with kink-jump moves. (C) 2009 Elsevier Ltd. All rights reserved.

The "Art" of Criticism: Rubén Darío and his Unknown Chronicles of the 1895 Salon for "La Prensa"

With the impetus that has led recent studies on Latin American Modernism to a reevaluation of the sense of cultural fluxes from the modernity capitals to its peripheries –discarding categories such as “influence”, “exotism” and “ivory tower”, stereotypes that have clouded critical understanding of this aesthetics for decades- the present study intends to investigate a persistent practice of the main writers of the movement. This practice is modernist pictorial criticism, a genre that will be approached through the analysis of an unknown corpus: the seven chronicles Rubén Darío published in the journal La Prensa on occasion of the third art exposition of the Ateneo de Buenos Aires. Our hypothesis is that the rare creators of images portrayed by Darío by the end of 1895 work as a visual counterpoint of the eccentric writers’ biographical sketches that a year later will be part of the fundamental volume Los raros (1896). In this early “salon”, which we reproduce in its entirety, accompanied by explanatory notes, the leader of Modernism rehearses and consolidates his transcultural work with the universal tradition –now applied to the Salons (1845-1860) by Charles Baudelaire and to the monumental project by John Ruskin in Modern painters (1843-1860)- to legitimate, from another subgenre of Modernist criticism, a new figure of the critic, in dissent with the Enlightenment model of the writer.

Exploring the dilemma of local sourcing versus international development – the case of the flower industry

This paper examines the debate surrounding local versus international sourcing of retail products, particularly food and flowers, in light of the emerging carbon imperative. It begins by examining the Fairtrade market and then examines food miles and carbon impact. The complexity of sourcing decisions when considering both international development issues and the emerging carbon agenda is considered using the case of the cut flower industry

An examination of the rheological and mucoadhesive properties of poly(Acrylic acid) organogels designed as platforms for local drug delivery to the oral cavity

This study examined the rheological/mucoadhesive properties of poly (acrylic acid) PAA organogels as platforms for drug delivery to the oral cavity. Organogels were prepared using PAA (3%, 5%, 10% w/w) dissolved in ethylene glycol (EG), propylene glycol (PG), 1,3-propylene glycol (1,3-PG), 1,5-propanediol (1,5-PD), polyethylene glycol 400 (PEG 400), or glycerol. All organogels exhibited pseudoplastic flow. The increase in storage (G') and loss (G '') moduli of organogels as a function of frequency was minimal, G '' was greater than G '' (at all frequencies), and the loss tangent <1, indicative of gel behavior. Organogels prepared using EG, PG, and 1,3-propanediol (1,3-PD) exhibited similar flow/viscoelastic properties. Enhanced rheological structuring was associated with organogels prepared using glycerol (in particular) and PEG 400 due to their interaction with adjacent carboxylic acid groups on each chain and on adjacent chains. All organogels (with the exception of 1,5-PD) exhibited greater network structure than aqueous PAA gels. Organogel mucoadhesion increased with polymer concentration. Greatest mucoadhesion was associated with glycerol-based formulations, whereas aqueous PAA gels exhibited the lowest mucoadhesion. The enhanced network structure and the excellent mucoadhesive properties of these organogels, both of which may be engineered through choice of polymer concentration/solvent type, may be clinically useful for the delivery of drugs to the oral cavity.

General local and rectilinear vibrational coordinates consistent with Eckart's conditions

We present a general method to construct a set of local rectilinear vibrational coordinates for a nonlinear molecule whose reference structure does not necessarily correspond to a stationary point of the potential-energy surface. We show both analytically and with a numerical example that the vibrational coordinates satisfy Eckart's conditions. In addition, we find that the Watson Hamiltonian provides a fairly robust description even of highly excited vibrational states of triatomic molecules, except for a few states of large amplitude motion sampling the singular region of the Hamiltonian. These states can be identified through slow convergence.

Failure of Local Realism Revealed by Extremely-Coarse-Grained Measurements

We show that failure of local realism can be revealed to observers for whom only extremely-coarse-grained measurements are available. In our instances, Bell's inequality is violated even up to the maximum limit while both the local measurements and the initial local states under scrutiny approach the classical limit. Furthermore, we can observe failure of local realism when an inequality enforced by nonlocal realistic theories is satisfied. This suggests that locality alone may be violated while realism cannot be excluded for specific observables and states. Small-scale experimental demonstration of our examples may be possible in the foreseeable future.