Direct evidence for charge stripes in a layered cobalt oxide

Recent experiments indicate that static stripe-like charge order is generic to the hole-doped copper oxide superconductors and competes with superconductivity. Here we show that a similar type of charge order is present in La5/3 Sr1/3 CoO4 , an insulating analogue of the copper oxide superconductors containing cobalt in place of copper. The stripe phase we have detected is accompanied by short-range, quasi-one-dimensional, antiferromagnetic order, and provides a natural explanation for the distinctive hour- glass shape of the magnetic spectrum previously observed in neutron scattering mea- surements of La2−xSrx CoO4 and many hole-doped copper oxide superconductors. The results establish a solid empirical basis for theories of the hourglass spectrum built on short-range, quasi-static, stripe correlations

Universal Critical Behavior of Aperiodic Ferromagnetic Models

We investigate the effects of geometric fluctuations, associated with aperiodic exchange interactions, on the critical behavior of $q$-state ferromagnetic Potts models on generalized diamond hierarchical lattices. For layered exchange interactions according to some two-letter substitutional sequences, and irrelevant geometric fluctuations, the exact recursion relations in parameter space display a non-trivial diagonal fixed point that governs the universal critical behavior. For relevant fluctuations, this fixed point becomes fully unstable, and we show the apperance of a two-cycle which is associated with a novel critical behavior. We use scaling arguments to calculate the critical exponent $\alpha$ of the specific heat, which turns out to be different from the value for the uniform case. We check the scaling predictions by a direct numerical analysis of the singularity of the thermodynamic free-energy. The agreement between scaling and direct calculations is excellent for stronger singularities (large values of $q$). The critical exponents do not depend on the strengths of the exchange interactions.Comment: 4 pages, 1 figure (included), RevTeX, submitted to Phys. Rev. E as a Rapid Communicatio

Evaluating regulatory strategies for mitigating hydrological risk in Brazil through diversification of its electricity mix

Hydroelectricity provides approximately 65% of Brazil’s power generating capacity, making the country vulnerable to droughts, which are becoming increasingly frequent. Current energy law and policy responses to the problem rely on a sectorial approach and prioritise energy security and market regulation. Brazil has opted to increase energy security levels during periods of hydrological variability with national grid interconnection and thermal plants backup. Additionally, Brazil has created the Energy Reallocation Mechanism (MRE) to manage the generators’ financial impacts in times of insufficient water. This policy, however, was unable to avoid the high financial exposure of generators in the spot market during the severe droughts experienced in the period 2013-2017. To explore how a more diversified electricity matrix can contribute to reducing hydrological risk, this article uses Integrated Assessment Modelling (IAM) techniques to analyse future macroeconomic and energy scenarios for Brazil in a global context, aligned with the Brazilian Nationally Determined Contributions (NDC) under the 2015 Paris Agreement on Climate Change. We show that the addition of non-hydro renewables is an advantage from the integrated Water-Energy-Food nexus perspective because it reduces trade-offs amongst the water and energy sectors. Our conclusions suggest that a nexus perspective can provide useful insights on how to design energy laws and policies.Philomathia Foundation; Cambridge Humanities Research Grant

A critical overview of computational approaches employed for COVID-19 drug discovery

COVID-19 has resulted in huge numbers of infections and deaths worldwide and brought the most severe disruptions to societies and economies since the Great Depression. Massive experimental and computational research effort to understand and characterize the disease and rapidly develop diagnostics, vaccines, and drugs has emerged in response to this devastating pandemic and more than 130 000 COVID-19-related research papers have been published in peer-reviewed journals or deposited in preprint servers. Much of the research effort has focused on the discovery of novel drug candidates or repurposing of existing drugs against COVID-19, and many such projects have been either exclusively computational or computer-aided experimental studies. Herein, we provide an expert overview of the key computational methods and their applications for the discovery of COVID-19 small-molecule therapeutics that have been reported in the research literature. We further outline that, after the first year the COVID-19 pandemic, it appears that drug repurposing has not produced rapid and global solutions. However, several known drugs have been used in the clinic to cure COVID-19 patients, and a few repurposed drugs continue to be considered in clinical trials, along with several novel clinical candidates. We posit that truly impactful computational tools must deliver actionable, experimentally testable hypotheses enabling the discovery of novel drugs and drug combinations, and that open science and rapid sharing of research results are critical to accelerate the development of novel, much needed therapeutics for COVID-19

The role of receptivity in the courtship behavior of Podocnemis erythrocephala in captivity

The courtship behavior of Podocnemis erythrocephala (Red-headed Amazon River Turtle) in captivity was studied to examine female receptivity and male response to female rejection. We observed 20 females and 39 males in 150 sessions (3–6 h/day for a total of 450 h). In 36% of the trials, there was no interaction between males and females, and 20% of the trials resulted in copulations. All males introduced into tanks approached females, and eventually there was aggression among the males. In 48% of the experiments, females also searched for or approached males. When males initially approached females, they either accepted the male’s advances (14%), rejected the male passively (38%), or rejected the male aggressively (48%). In 86% of the cases where males were rejected, 4% attempted to approach females again, and in 51% they were ultimately successful

CORRIE: enzyme sequence annotation with confidence estimates

Using a previously developed automated method for enzyme annotation, we report the re-annotation of the ENZYME database and the analysis of local error rates per class. In control experiments, we demonstrate that the method is able to correctly re-annotate 91% of all Enzyme Classification (EC) classes with high coverage (755 out of 827). Only 44 enzyme classes are found to contain false positives, while the remaining 28 enzyme classes are not represented. We also show cases where the re-annotation procedure results in partial overlaps for those few enzyme classes where a certain inconsistency might appear between homologous proteins, mostly due to function specificity. Our results allow the interactive exploration of the EC hierarchy for known enzyme families as well as putative enzyme sequences that may need to be classified within the EC hierarchy. These aspects of our framework have been incorporated into a web-server, called CORRIE, which stands for Correspondence Indicator Estimation and allows the interactive prediction of a functional class for putative enzymes from sequence alone, supported by probabilistic measures in the context of the pre-calculated Correspondence Indicators of known enzymes with the functional classes of the EC hierarchy. The CORRIE server is available at:

Toxic effects of Pb2+ on the growth and mineral nutrition of signal grass (Brachiaria decumbens) and Rhodes grass (Chloris gayana)

Although grasses are commonly used to revegetate sites contaminated with lead (Pb), little is known regarding the Pb-tolerance of many of these species. Using dilute solution culture to mimic the soil solution, the growth of signal grass (Brachiaria decumbens Stapf cv. Basilisk) and Rhodes grass (Chloris gayana Kunth cv. Pioneer) was related to the mean activity of Pb2+ {Pb2+} in solution. There was a 50% reduction in fresh mass of signal grass shoots at 5 mu M {Pb2+} and at 3 mu M {Pb2+} for the roots. Rhodes grass was considerably more sensitive to Pb in solution, with shoot and root fresh mass being reduced by 50% at 0.5 mu M {Pb2+}. The higher tolerance of signal grass to Pb appeared to result from the internal detoxification of Pb, rather than from the exclusion of Pb from the root. At toxic {Pb2+}, an interveinal chlorosis developed in the shoots of signal grass (possibly a Pb-induced Mn deficiency), whilst in Rhodes grass, Pb2+ caused a bending of the root tips and the formation of a swelling immediately behind some of the root apices. Root hair growth did not appear to be reduced by Pb2+ in solution, being prolific at all {Pb2+} in both species