Delineation of the Native Basin in Continuum Models of Proteins

We propose two approaches for determining the native basins in off-lattice models of proteins. The first of them is based on exploring the saddle points on selected trajectories emerging from the native state. In the second approach, the basin size can be determined by monitoring random distortions in the shape of the protein around the native state. Both techniques yield the similar results. As a byproduct, a simple method to determine the folding temperature is obtained.Comment: REVTeX, 6 pages, 5 EPS figure

Exploring the spectroscopic diversity of type Ia supernovae with DRACULA: a machine learning approach

The existence of multiple subclasses of type Ia supernovae (SNeIa) has been the subject of great debate in the last decade. One major challenge inevitably met when trying to infer the existence of one or more subclasses is the time consuming, and subjective, process of subclass definition. In this work, we show how machine learning tools facilitate identification of subtypes of SNeIa through the establishment of a hierarchical group structure in the continuous space of spectral diversity formed by these objects. Using Deep Learning, we were capable of performing such identification in a 4 dimensional feature space (+1 for time evolution), while the standard Principal Component Analysis barely achieves similar results using 15 principal components. This is evidence that the progenitor system and the explosion mechanism can be described by a small number of initial physical parameters. As a proof of concept, we show that our results are in close agreement with a previously suggested classification scheme and that our proposed method can grasp the main spectral features behind the definition of such subtypes. This allows the confirmation of the velocity of lines as a first order effect in the determination of SNIa subtypes, followed by 91bg-like events. Given the expected data deluge in the forthcoming years, our proposed approach is essential to allow a quick and statistically coherent identification of SNeIa subtypes (and outliers). All tools used in this work were made publicly available in the Python package Dimensionality Reduction And Clustering for Unsupervised Learning in Astronomy (DRACULA) and can be found within COINtoolbox (https://github.com/COINtoolbox/DRACULA).Comment: 16 pages, 12 figures, accepted for publication in MNRA

Evidence of suppression of onchocerciasis transmission in the Venezuelan Amazonian focus.

BACKGROUND: The World Health Organization (WHO) has set goals for onchocerciasis elimination in Latin America by 2015. Most of the six previously endemic countries are attaining this goal by implementing twice a year (and in some foci, quarterly) mass ivermectin (Mectizan®) distribution. Elimination of transmission has been verified in Colombia, Ecuador and Mexico. Challenges remain in the Amazonian focus straddling Venezuela and Brazil, where the disease affects the hard-to-reach Yanomami indigenous population. We provide evidence of suppression of Onchocerca volvulus transmission by Simulium guianense s.l. in 16 previously hyperendemic Yanomami communities in southern Venezuela after 15 years of 6-monthly and 5 years of 3-monthly mass ivermectin treatment. METHODS: Baseline and monitoring and evaluation parasitological, ophthalmological, entomological and serological surveys were conducted in selected sentinel and extra-sentinel communities of the focus throughout the implementation of the programme. RESULTS: From 2010 to 2012–2015, clinico-parasitological surveys indicate a substantial decrease in skin microfilarial prevalence and intensity of infection; accompanied by no evidence (or very low prevalence and intensity) of ocular microfilariae in the examined population. Of a total of 51,341 S. guianense flies tested by PCR none had L3 infection (heads only). Prevalence of infective flies and seasonal transmission potentials in 2012–2013 were, respectively, under 1 % and 20 L3/person/transmission season. Serology in children aged 1–10 years demonstrated that although 26 out of 396 (7 %) individuals still had Ov-16 antibodies, only 4/218 (2 %) seropositives were aged 1–5 years. CONCLUSIONS: We report evidence of recent transmission and morbidity suppression in some communities of the focus representing 75 % of the Yanomami population and 70 % of all known communities. We conclude that onchocerciasis transmission could be feasibly interrupted in the Venezuelan Amazonian focus. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1186/s13071-016-1313-z) contains supplementary material, which is available to authorized users

Coagulation/flocculation/flotation/nanofiltration processes using Moringa Oleifera as coagulant of Eutrophized river

This study investigated the efficiency of Moringa oleifera (MO) seeds as natural coagulant in coagulation/flocculation/dissolved air flotation (C/F/DAF), followed by nanofiltration (NF) for Microcystis protocystis and microcystin-LR removal. The methodology adopted in this work was performed in two steps: 1) coagulation/flocculation/dissolved air flotation (C/F/DAF) process using the MO extracted in saline solution of potassium chloride (KCl-1M) and sodium chloride (NaCl-1M) in optimum dosage 50 mg·L-1; 2) nanofiltration process using NF90 and NF270 membrane provided Dow Chemical Company®. A working pressure of 8 bar was applied. In all samples were analyzed color, turbidity, pH, cyanobacterial cells count and microcystin concentration. The use of MO seeds as natural coagulant, obtained satisfactory results in the M. protocystis, color and turbidity removal. NF was able to completely remove cyanobacterial cells and microcystins (100 %) from M. protocystis (always under the quantification limit). Therefore, C/F/DAF+NF sequence is a safe barrier against M. protocystis and microcystins in drinking water.CAPES (Coordination for the Improvement of Higher Education Personnel) National Council of Technological and Scientific Development (CNPq

Analysis of the elastic scattering measured with a 23.7 MeV 7Be beam on a 9Be target.

We present new data for the reaction 7Be+9Be measured at Elab =23.7 MeV. The elastic scattering angular distribution has been analyzed using the phenomenological optical model and the coupled-channels method. In the latter approach, we assumed a two-cluster model of the 7Be nucleus, and we included explicitly the ground state and first excited state of this nucleus. The contribution of the inelastic excitation of the 7Be nucleus to the quasielastic cross sections has been investigated.Ministerio de Educación y Ciencia (MEC). España FPA2006-13807-c02-01Spanish Consolider-Ingenio programme CPAN CSD2007-0004

Exact Results for Hamiltonian Walks from the Solution of the Fully Packed Loop Model on the Honeycomb Lattice

We derive the nested Bethe Ansatz solution of the fully packed O($n$) loop model on the honeycomb lattice. From this solution we derive the bulk free energy per site along with the central charge and geometric scaling dimensions describing the critical behaviour. In the $n=0$ limit we obtain the exact compact exponents $\gamma=1$ and $\nu=1/2$ for Hamiltonian walks, along with the exact value $\kappa^2 = 3 \sqrt 3 /4$ for the connective constant (entropy). Although having sets of scaling dimensions in common, our results indicate that Hamiltonian walks on the honeycomb and Manhattan lattices lie in different universality classes.Comment: 12 pages, RevTeX, 3 figures supplied on request, ANU preprint MRR-050-9