The biHecke monoid of a finite Coxeter group and its representations

For any finite Coxeter group W, we introduce two new objects: its cutting poset and its biHecke monoid. The cutting poset, constructed using a generalization of the notion of blocks in permutation matrices, almost forms a lattice on W. The construction of the biHecke monoid relies on the usual combinatorial model for the 0-Hecke algebra H_0(W), that is, for the symmetric group, the algebra (or monoid) generated by the elementary bubble sort operators. The authors previously introduced the Hecke group algebra, constructed as the algebra generated simultaneously by the bubble sort and antisort operators, and described its representation theory. In this paper, we consider instead the monoid generated by these operators. We prove that it admits |W| simple and projective modules. In order to construct the simple modules, we introduce for each w in W a combinatorial module T_w whose support is the interval [1,w]_R in right weak order. This module yields an algebra, whose representation theory generalizes that of the Hecke group algebra, with the combinatorics of descents replaced by that of blocks and of the cutting poset.Comment: v2: Added complete description of the rank 2 case (Section 7.3) and improved proof of Proposition 7.5. v3: Final version (typo fixes, picture improvements) 66 pages, 9 figures Algebra and Number Theory, 2013. arXiv admin note: text overlap with arXiv:1108.4379 by other author

Combining quantum and classical density functional theory for ion-electron mixtures

We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's quantum hypernetted chain approximation, which we derive within a DFT formulation. We also sketch out how to apply the DFT formulation to inhomogeneous electron-ion mixtures, and use this to study the electron distribution at the liquid-solid interface of Al.Comment: to be published in J. Non-Cryst. Solids, LAM 11 special issu

Mixtures of Charged Colloid and Neutral Polymer: Influence of Electrostatic Interactions on Demixing and Interfacial Tension

The equilibrium phase behavior of a binary mixture of charged colloids and neutral, non-adsorbing polymers is studied within free-volume theory. A model mixture of charged hard-sphere macroions and ideal, coarse-grained, effective-sphere polymers is mapped first onto a binary hard-sphere mixture with non-additive diameters and then onto an effective Asakura-Oosawa model [S. Asakura and F. Oosawa, J. Chem. Phys. 22, 1255 (1954)]. The effective model is defined by a single dimensionless parameter -- the ratio of the polymer diameter to the effective colloid diameter. For high salt-to-counterion concentration ratios, a free-volume approximation for the free energy is used to compute the fluid phase diagram, which describes demixing into colloid-rich (liquid) and colloid-poor (vapor) phases. Increasing the range of electrostatic interactions shifts the demixing binodal toward higher polymer concentration, stabilizing the mixture. The enhanced stability is attributed to a weakening of polymer depletion-induced attraction between electrostatically repelling macroions. Comparison with predictions of density-functional theory reveals a corresponding increase in the liquid-vapor interfacial tension. The predicted trends in phase stability are consistent with observed behavior of protein-polysaccharide mixtures in food colloids.Comment: 16 pages, 5 figure

Ready meals, especially those that are animal-based and cooked in an oven, have lower nutritional quality, higher greenhouse gas emissions and are more expensive than equivalent home-cooked meals

Open Access via the CUP Agreement Acknowledgments. Ruth L. Bates, Leone C.A. Craig, Neil Chalmers, Graham Horgan, Bram Boskamp were involved in data curation of the expanded NDNS Nutrientbank version used in this study.Peer reviewedPublisher PD

Bose-Einstein condensation of finite number of confined particles

The partition function and specific heat of a system consisting of a finite number of bosons confined in an external potential are calculated in canonical ensemble. Using the grand partition function as the generating function of the partition function, an iterative scheme is established for the calculation of the partition function of system with an arbitrary number of particles. The scheme is applied to finite number of bosons confined in isotropic and anisotropic parabolic traps and in rigid boxes. The specific heat as a function of temperature is studied in detail for different number of particles, different degrees of anisotropy, and different spatial dimensions. The cusp in the specific heat is taken as an indication of Bose-Einstein condensation (BEC).It is found that the results corresponding to a large number of particles are approached quite rapidly as the number of bosons in the system increases. For large number of particles, results obtained within our iterative scheme are consistent with those of the semiclassical theory of BEC in an external potential based on the grand canonical treatment.Comment: 20 pages in RevTex with 4 Postscript figures. The e-mail addresses of the authors are `[email protected]',and `[email protected]

Crowding of Polymer Coils and Demixing in Nanoparticle-Polymer Mixtures

The Asakura-Oosawa-Vrij (AOV) model of colloid-polymer mixtures idealizes nonadsorbing polymers as effective spheres that are fixed in size and impenetrable to hard particles. Real polymer coils, however, are intrinsically polydisperse in size (radius of gyration) and may be penetrated by smaller particles. Crowding by nanoparticles can affect the size distribution of polymer coils, thereby modifying effective depletion interactions and thermodynamic stability. To analyse the influence of crowding on polymer conformations and demixing phase behaviour, we adapt the AOV model to mixtures of nanoparticles and ideal, penetrable polymer coils that can vary in size. We perform Gibbs ensemble Monte Carlo simulations, including trial nanoparticle-polymer overlaps and variations in radius of gyration. Results are compared with predictions of free-volume theory. Simulation and theory consistently predict that ideal polymers are compressed by nanoparticles and that compressibility and penetrability stabilise nanoparticle-polymer mixtures.Comment: 18 pages, 4 figure

Molecular theory of elastic constants of liquid crystals. III. Application to smectic phases with tilted orientational order

Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted with respect to the smectic layer normal. As in the previous papers of the series (Phys. Rev. A {\bf 45}, 974 (1992), E {\bf 49}, 501, (1994)) the expressions for the elastic constants are written in terms of order and structural parameters. The structural parameters involve the generalised spherical harmonic coefficients of the direct pair correlation function of an effective isotropic liquid. The density of this effective isotropic liquid depends on the nature and amount of ordering present in the system and is evaluated self- consistently. We estimate the value of elastic constants using reasonable guess for the order and structural- parameters.Comment: 31 pages; 1 Fig. in GIF format, To be appear in Phys. Rev.

Tocilizumab Prevents Progression of Early Systemic Sclerosis Associated Interstitial Lung Disease

OBJECTIVE: Tocilizumab has demonstrated lung function preservation in two randomized controlled trials in early systemic sclerosis (SSc). This effect has yet to be characterized in terms of quantitative radiographic lung involvement. In this post-hoc analysis, we assess tocilizumab's impact on lung function preservation, stratifying treatment arms by the degree of radiographic lung involvement. METHODS: The focuSSced trial was a phase 3, randomized placebo-controlled trial of tocilizumab in patients with SSc and progressive skin disease. Participants had baseline and serial spirometry along with high resolution chest CT at baseline and week 48. Quantitative interstitial lung disease and fibrosis were derived using computer software. We divided quantitative interstitial lung disease in mild (5-10%), moderate (>10-20%), or severe (>20%) categories. RESULTS: Of 210 participants recruited in the trial, 136 [65%] had interstitial lung disease. The majority of these participants had moderate-to-severe involvement defined by >10% lung involvement (77%). The tocilizumab arm demonstrated preservation of forced vital capacity over 48 weeks (least squared mean change in %predicted = -0.1) compared to placebo (-6.3%). For mild, moderate, and severe QILD, the mean decline in the %pFVC in the tocilizumab arm at 48 weeks were -4.1, 0.7, and 2.1, and in the placebo group were -10.0, -5.7, and -6.7, respectively. Similar treatment-related preservation findings were seen independent of fibrosis severity. CONCLUSION: Tocilizumab in early SSc- associated interstitial lung disease with progressive skin disease stabilized forced vital capacity over 48 weeks, independent of the extent of quantitative radiographic interstitial lung disease or fibrosis

Yukawa potentials in systems with partial periodic boundary conditions I : Ewald sums for quasi-two dimensional systems

Yukawa potentials are often used as effective potentials for systems as colloids, plasmas, etc. When the Debye screening length is large, the Yukawa potential tends to the non-screened Coulomb potential ; in this small screening limit, or Coulomb limit, the potential is long ranged. As it is well known in computer simulation, a simple truncation of the long ranged potential and the minimum image convention are insufficient to obtain accurate numerical data on systems. The Ewald method for bulk systems, i.e. with periodic boundary conditions in all three directions of the space, has already been derived for Yukawa potential [cf. Y., Rosenfeld, {\it Mol. Phys.}, \bm{88}, 1357, (1996) and G., Salin and J.-M., Caillol, {\it J. Chem. Phys.}, \bm{113}, 10459, (2000)], but for systems with partial periodic boundary conditions, the Ewald sums have only recently been obtained [M., Mazars, {\it J. Chem. Phys.}, {\bf 126}, 056101 (2007)]. In this paper, we provide a closed derivation of the Ewald sums for Yukawa potentials in systems with periodic boundary conditions in only two directions and for any value of the Debye length. A special attention is paid to the Coulomb limit and its relation with the electroneutrality of systems.Comment: 40 pages, 5 figures and 4 table

Can a Topical Microbicide Prevent Rectal HIV Transmission?

Florian Hladik and Charlene Dezzutti discuss a macaque study of whether rectal simian immunodeficiency virus transmission can be prevented by topical pre-exposure application of tenofovir gel