First evidence of pep solar neutrinos by direct detection in Borexino

We observed, for the first time, solar neutrinos in the 1.0-1.5 MeV energy range. We determined the rate of pep solar neutrino interactions in Borexino to be 3.1±0.6{stat}±0.3{syst} counts/(day·100 ton). Assuming the pep neutrino flux predicted by the standard solar model, we obtained a constraint on the CNO solar neutrino interaction rate of <7.9 counts/(day·100 ton) (95% C.L.). The absence of the solar neutrino signal is disfavored at 99.97% C.L., while the absence of the pep signal is disfavored at 98% C.L. The necessary sensitivity was achieved by adopting data analysis techniques for the rejection of cosmogenic {11}C, the dominant background in the 1-2 MeV region. Assuming the Mikheyev-Smirnov-Wolfenstein large mixing angle solution to solar neutrino oscillations, these values correspond to solar neutrino fluxes of (1.6±0.3)×10{8} cm{-2}?s^{-1} and <7.7×10{8} cm{-2}?s{-1} (95% C.L.), respectively, in agreement with both the high and low metallicity standard solar models. These results represent the first direct evidence of the pep neutrino signal and the strongest constraint of the CNO solar neutrino flux to date.     

Model-based two-way clustering of second-level units in ordinal multilevel latent Markov models

In this paper, an ordinal multilevel latent Markov model based on separate random effects is proposed. In detail, two distinct second-level discrete effects are considered in the model, one affecting the initial probability vector and the other affecting the transition probability matrix of the first-level ordinal latent Markov process. To model these separate effects, we consider a bi-dimensional mixture specification that allows to avoid unverifiable assumptions on the random effect distribution and to derive a two-way clustering of second-level units. Starting from a general model where the two random effects are dependent, we also obtain the independence model as a special case. The proposal is applied to data on the physical health status of a sample of elderly residents grouped into nursing homes. A simulation study assessing the performance of the proposal is also included.

     

Potassium exchanged layered zirconium phosphate as catalyst in the preparation of 4H-chromenes

Substituted 4H-chromenes were easily prepared by reaction of salicylaldehydes and ethylcyanoacetate in solvent free conditions using potassium exchanged layered zirconium phosphate as catalyst.     

Removal and recovery of nitriles from gaseous streams: An IR study of acetonitrile adsorption on and desorption from inorganic solids

The adsorption and the desorption of acetonitrile over several different inorganic solids (such as silicas, aluminas, modified aluminas, silica-aluminas, metal oxides, protonic zeolites, alkali-metal zeolites, and clays) have been investigated by IR spectroscopy. Different kinds of interactions (weak to strong hydrogen-bonding, coordination on Lewis acid sites, different kinds of surface chemical reactions) have been observed. The temperature needed for acetonitrile desorption from these solids has also been determined. Silicas and alkali metal zeolites have been found to allow molecular adsorption without reactivity and to allow desorption in mild conditions.     

Inclusion complexes of Schiff bases as phytogrowth inhibitors

This article details the preparation, characterization and phytotoxic evaluation of several Schiff base inclusion complexes obtained from β-cyclodextrin and p-sulfonic acid calix[6]arene. The inclusion complexes (1:1 molar ratio) were prepared by mixing a 5 mmol L^?1 aqueous solution (containing 1 % DMSO) of Schiff bases (guests) with aqueous solution (containing 1 % DMSO) of 5 mmol L^?1 of β-cyclodextrin or p-sulfonic acid calix[6]arene (hosts). The host–guest systems were characterized via a series of NMR experiments. The ability of the complexes to interfere with the radicle elongation of Sorghum bicolor (dicotyledonous species) and Cucumis sativus (monocotyledonous species) was evaluated. After 48 h, the inclusion complexes inhibited the radicle elongation of both species from 11 to 56 %. The formation of inclusion complexes was also investigated theoretically by molecular dynamics simulations in aqueous solution through implicit approach. Based on the experimental observation, the phytotoxic activity evaluated can be attributed to the formation of host–guest systems. This was supported by the theoretical findings based on stable interaction energy analyses for all the studied supramolecular systems.     

ClogPalk: a method for predicting alkane/water partition coefficient

Alkane/water partition coefficients (P_alk) are less familiar to the molecular design community than their 1-octanol/water equivalents and access to both data and prediction tools is much more limited. A method for predicting alkane/water partition coefficient from molecular structure is introduced. The basis for the ClogP_alk model is the strong (R² = 0.987) relationship between alkane/water partition coefficient and molecular surface area (MSA) that was observed for saturated hydrocarbons. The model treats a molecule as a perturbation of a saturated hydrocarbon molecule with the same MSA and uses increments defined for functional groups to quantify the extent to which logP_alk is perturbed by the introduction each functional group. Interactions between functional groups, such as intramolecular hydrogen bonds are also parameterized within a perturbation framework. The functional groups and interactions between them are specified substructurally in a transparent and reproducible manner using SMARTS notation. The ClogP_alk model was parameterized using data measured for structurally prototypical compounds that dominate the literature on alkane/water partition coefficients and then validated using an external test set of 100 alkane/water logP measurements, the majority of which were for drugs.     

On the Dynamics of the Glass Transition on Bethe Lattices

The Glauber dynamics of disordered spin models with multi-spin interactions on sparse random graphs (Bethe lattices) is investigated. Such models undergo a dynamical glass transition upon decreasing the temperature or increasing the degree of constrainedness. Our analysis is based upon a detailed study of large scale rearrangements which control the slow dynamics of the system close to the dynamical transition. Particular attention is devoted to the neighborhood of a zero temperature tricritical point. Both the approach and several key results are conjectured to be valid in a considerably more general context. PACS Numbers:75.50.Lk (Spin glasses), 64.70.Pf (Glass transitions), 89.20.Ff (Computer science