Non-universality of the absorbing-state phase-transition in a linear chain with power-law diluted long-range connections

Abstract In this work we study the critical behavior of the absorbing state phase transition exhibited by the contact process in a linear chain with power-law diluted long-range connections. Each pair of sites is connected with a probability P ( r ) that decays with the distance between the sites r as 1 / r α . The model allows for a continuous tuning between a standard one-dimensional chain with only nearest neighbor couplings ( α → ∞ ) to a fully connected network ( α = 0 ). We develop a finite-size scaling analysis to obtain the critical point and a set of dynamical and stationary critical exponents for distinct values of the decay exponent α > 2 corresponding to finite average bond lengths and low average site connectivity. Data for the order parameter collapse over a universal curve when plotted after a proper rescaling of parameters. We show further that the critical exponents depend on α in the regime of diverging bond-length fluctuations ( α 3 )

A Bayesian Analysis of Plant DNA Length Distribution via κ-Statistics

We report an analysis of the distribution of lengths of plant DNA (exons). Three species of Cucurbitaceae were investigated. In our study, we used two distinct κ distribution functions, namely, κ-Maxwellian and double-κ, to fit the length distributions. To determine which distribution has the best fitting, we made a Bayesian analysis of the models. Furthermore, we filtered the data, removing outliers, through a box plot analysis. Our findings show that the sum of κ-exponentials is the most appropriate to adjust the distribution curves and that the values of the κ parameter do not undergo considerable changes after filtering. Furthermore, for the analyzed species, there is a tendency for the κ parameter to lay within the interval (0.27;0.43)

In vitro antiplasmodial activity, pharmacokinetic profiles and interference in isoprenoid pathway of 2-aniline-3-hydroxy-1.4-naphthoquinone derivatives

Abstract Background Plasmodium falciparum has shown multidrug resistance, leading to the necessity for the development of new drugs with novel targets, such as the synthesis of isoprenic precursors, which are excellent targets because the pathway is different in several steps when compared with the human host. Naphthoquinone derivatives have been described as potentially promising for the development of anti-malarial leader molecules. In view of that, the focus in this work is twofold: first, evaluate the in vitro naphthoquinone antiplasmodial activity and cytotoxicity; secondly, investigate one possible action mechanism of two derivatives of hydroxy-naphthoquinones. Results The two hydroxy-naphthoquinones derivatives have been tested against P. falciparum in vitro, using strains of parasites chloroquine-sensitive (3D7) and chloroquine-resistant (Dd2), causing 50% inhibition of parasite growth with concentrations that varied from 7 to 44.5 μM. The cell viability in vitro against RAW Cell Line displayed IC50 = 483.5 and 714.9 μM, whereas, in primary culture tests using murine macrophages, IC50 were 315.8 and 532.6 μM for the two selected compounds, causing no haemolysis at the doses tested. The in vivo acute toxicity assays exhibited a significant safety margin indicated by a lack of systemic and behavioural toxicity up to 300 mg/kg. It is suggested that this drug seems to inhibit the biosynthesis of isoprenic compounds, particularly the menaquinone and tocopherol. Conclusions These derivatives have a high potential for the development of new anti-malarial drugs since they showed low toxicity associated to a satisfactory antiplasmodial activity and possible inhibition of a metabolic pathway distinct from the pathways found in the mammalian host

DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO₃·(H₂O, 6H₂O): Structural, Electronic, Optical, and Vibrational Properties

The role of hydration on the structural, electronic, optical, and vibrational properties of monohydrated (CaCO₃·H₂O, hexagonal, <i>P</i>3₁, <i>Z</i> = 9) and hexahydrated (CaCO₃·6H₂O, monoclinic, <i>C</i>2/<i>c</i>, <i>Z</i> = 4) calcite crystals is assessed with the help of published experimental and theoretical data applying density functional theory within the generalized gradient approximation and a dispersion correction scheme. We show that the presence of water increases the main band gap of monohydrocalcite by 0.4 eV relative to the anhydrous structure, although practically not changing the hexahydrocalcite band gap. The gap type, however, is modified from indirect to direct as one switches from the monohydrated to the hexahydrated crystal. A good agreement was obtained between the simulated vibrational infrared and Raman spectra and the experimental data, with an infrared signature of hexahydrocalcite relative to monohydrocalcite being observed at 837 cm^–1. Other important vibrational signatures of the lattice, water molecules, and CO₃^2– were identified as well. Analysis of the phonon dispersion curves shows that, as the hydration level of calcite increases, the longitudinal optical–transverse optical phonon splitting becomes smaller. The thermodynamics properties of hexahydrocalcite as a function of temperature resemble closely those of calcite, while monohydrocalcite exhibits a very distinct behavior