Kinetics of the template-directed oligomerization of guanosine 5'-phosphate-2-methylimidazolide: Effect of temperature on individual steps of reactionion

Non-enzymatic, template-directed reactions have been proposed as models for prebiological polynucleotide synthesis. Chemically activated mononucleotides react in the presence of a polynucleotide, acting as the template in a Watson-Crick base-pairing fashing, and form the complementary daughter polynucleotide. Phosphoimidazolide-activated nucleotides have been used successfully as substrates in these reactions. The kinetics of the guanosine 5'-monophosphate-2-methylimidazolide (2-MelmpG) reaction in aqueous pH 8.0 solutions in the presence and in the absence of polycytidylate (poly(C)) were studied, acting as the template at 6, 23, and 37 C. In the absence of the template, the major reaction pathway of 2-MelmpG is hydrolysis of the P-N bond to form the unreactive guanosine 5'-monophosphate (5'-GMP) and 2-methylimidazole. Concentrated solution of 2-MelmpG (greater than 0.02 M) in the absence of the template form only a small amount dinucleotide, (pG)2, but in the presence of poly(C), oligoguanylates, (pG)n with 2 less than or = n less than or = 40, can be detected. We were able to determine the rate constants for individual steps of this reaction. A summary of the conclusions is presented

How do we decide what to do? Resting-state connectivity patterns and components of self-generated thought linked to the development of more concrete personal goals

Human cognition is not limited to the available environmental input but can consider realities that are different to the here and now. We describe the cognitive states and neural processes linked to the refinement of descriptions of personal goals. When personal goals became concrete, participants reported greater thoughts about the self and the future during mind-wandering. This pattern was not observed for descriptions of TV programmes. Connectivity analysis of participants who underwent a resting-state functional magnetic resonance imaging scan revealed neural traits associated with this pattern. Strong hippocampal connectivity with ventromedial pre-frontal cortex was common to better-specified descriptions of goals and TV programmes, while connectivity between hippocampus and the pre-supplementary motor area was associated with individuals whose goals were initially abstract but became more concrete over the course of the experiment. We conclude that self-generated cognition that arises during the mind-wandering state can allow goals to be refined, and this depends on neural systems anchored in the hippocampus

A 475 years-old founder effect involving IL12RB1: a highly prevalent mutation conferring Mendelian susceptibility to mycobacterial diseases in European descendants

Mutations in IFNGR1, IFNGR2, IL12RB1, IL12B, STAT1 and NEMO result in a common clinical phenotype known as Mendelian Susceptibility to Mycobacterial Diseases (MSMD). Interleukin-12 receptor 01 (IL12R beta 1) deficiency is the most common genetic etiology for MSMD. Known mutations affecting IL12RB1 are recessively inherited and are associated with null response to both IL-12 and IL-23. Mutation IL12RB1 1623_1624delinsTT was originally described in 5 families from European origin (2 from Germany: I from Cyprus, France and Belgium). Interestingly, this same mutation was found in an unexpectedly high prevalence among IL-12R beta 1 deficient patients in Argentina: 5-out-of-6 individuals born to unrelated families carried this particular change. To determine whether mutation 1623_1624delinsTT represents a DNA mutational hotspot or a founder effect, 34 polymorphic markers internal or proximal to IL12RB1 were studied in the Argentinean and the Belgian patients. A common haplotype spanning 1.45-3.51 Mb was shared by all chromosomes carrying mutation 1623_1624delinsTT, and was not detected on 100 control chromosomes. Applying a modified likelihood-based method the age of the most recent common ancestor carrying mutation 1623_1624delinsTT was estimated in 475 years (95% CI, 175-1275), which is the time when the Spaniards initiated the colonization of the Americas. Mutation 1623_1624delinsTT represents the first founder effect described on IL-12R beta 1, the most frequently affected gene in MSMD, and affecting patients with European ancestors. The reason(s) behind the persistency of this mutation across multiple generations, its relative high prevalence, and any potential selective advantage are yet to be established

Harnessing machine learning potentials to understand the functional properties of phase-change materials

The exploitation of phase-change materials (PCMs) in diverse technological applications can be greatly aided by a better understanding of the microscopic origins of their functional properties. Over the last decade, simulations based on electronic-structure calculations within density functional theory (DFT) have provided useful insights into the properties of PCMs. However, large simulation cells and long simulation times beyond the reach of DFT simulations are needed to address several key issues of relevance for the performance of devices. One way to overcome the limitations of DFT methods is to use machine learning (ML) techniques to build interatomic potentials for fast molecular dynamics simulations that still retain a quasi-ab initio accuracy. Here, we review the insights gained on the functional properties of the prototypical PCM GeTe by harnessing such interatomic potentials. Applications and future challenges of the ML techniques in the study of PCMs are also outlined

Grids of stellar models. VIII. From 0.4 to 1.0 Msun at Z=0.020 and Z=0.001, with the MHD equation of state

We present stellar evolutionary models covering the mass range from 0.4 to 1 Msun calculated for metallicities Z=0.020 and 0.001 with the MHD equation of state (Hummer & Mihalas, 1988; Mihalas et al. 1988; D\"appen et al. 1988). A parallel calculation using the OPAL (Rogers et al. 1996) equation of state has been made to demonstrate the adequacy of the MHD equation of state in the range of 1.0 to 0.8 Msun (the lower end of the OPAL tables). Below, down to 0.4 Msun, we have justified the use of the MHD equation of state by theoretical arguments and the findings of Chabrier & Baraffe (1997). We use the radiative opacities by Iglesias & Rogers (1996), completed with the atomic and molecular opacities by Alexander & Fergusson (1994). We follow the evolution from the Hayashi fully convective configuration up to the red giant tip for the most massive stars, and up to an age of 20 Gyr for the less massive ones. We compare our solar-metallicity models with recent models computed by other groups and with observations. The present stellar models complete the set of grids computed with the same up-to-date input physics by the Geneva group [Z=0.020 and 0.001, Schaller et al. (1992), Bernasconi (1996), and Charbonnel et al. (1996); Z=0.008, Schaerer et al. (1992); Z=0.004, Charbonnel et al. (1993); Z=0.040, Schaerer et al. (1993); Z=0.10, Mowlavi et al. (1998); enhanced mass loss rate evolutionary tracks, Meynet et al. (1994)].Comment: Accepted for publication in A&A Supplement Serie

A complete characterization of plateaued Boolean functions in terms of their Cayley graphs

In this paper we find a complete characterization of plateaued Boolean functions in terms of the associated Cayley graphs. Precisely, we show that a Boolean function $f$ is $s$-plateaued (of weight $=2^{(n+s-2)/2}$) if and only if the associated Cayley graph is a complete bipartite graph between the support of $f$ and its complement (hence the graph is strongly regular of parameters $e=0,d=2^{(n+s-2)/2}$). Moreover, a Boolean function $f$ is $s$-plateaued (of weight $\neq 2^{(n+s-2)/2}$) if and only if the associated Cayley graph is strongly $3$-walk-regular (and also strongly $\ell$-walk-regular, for all odd $\ell\geq 3$) with some explicitly given parameters.Comment: 7 pages, 1 figure, Proceedings of Africacrypt 201