Hierarchical bounding structures for efficient virial computations: Towards a realistic molecular description of cholesterics

We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of neighbour lists through the combined use of recursive atom-decomposition techniques and binary overlap search schemes, is shown to scale sub-logarithmically with particle resolution in the case of molecular systems with high aspect ratios. Its implementation within an efficient numerical and theoretical framework based on classical density functional theory enables us to investigate the cholesteric self-assembly of a wide range of experimentally-relevant particle models. We illustrate the method through the determination of the cholesteric behaviour of hard, structurally-resolved twisted cuboids, and report quantitative evidence of the long-predicted phase handedness inversion with increasing particle thread angles near the phenomenological threshold value of $45^\circ$. Our results further highlight the complex relationship between microscopic structure and helical twisting power in such model systems, which may be attributed to subtle geometric variations of their chiral excluded-volume manifold

Robustness of the 0−π0 -\pi transition against compositional and structural ageing in S/F/S heterostructures

We have studied the temperature induced $0 -\pi$ thermodynamic transition in Nb/PdNi/Nb Superconductor/Ferromagnetic/Superconductor (SFS) heterostructures by microwave measurements of the superfluid density. We have observed a shift in the transition temperature with the ageing of the heterostructures, suggesting that structural and/or chemical changes took place. Motivated by the electrodynamics findings, we have extensively studied the local structural properties of the samples by means of X-ray Absorption Spectroscopy (XAS) technique, and the compositional profile by Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). We found that the samples have indeed changed their properties, in particular for what concerns the interfaces and the composition of the ferromagnetic alloy layer. The structural and compositional data are consistent with the shift of the $0-\pi$ transition toward the behaviour of heterostructures with different F layers. An important emerging indication to the physics of SFS is the weak relevance of the ideality of the interfaces: even in aged samples, with less-than-ideal interfaces, the temperature-induced $0-\pi$ transition is still detectable albeit at a different critical F thickness.Comment: 11 pages, 9 figures, accepted for publication on Phys. Rev. B, http://journals.aps.org/prb

Transgressive coastal systems (1st part): barrier migration processes and geometric principles

Coastal processes during transgression have been explored through morpho-kinematic simulations using the Shoreface Translation Model (STM). Our STM experiments show that the landward migration of coastal system is controlled by the rate of sea level rise (SLR), the rate of sediment supply (Vs), the shelf slope (?), and the morphology of the coastal profile (M). Additionally, the geometric relationships between shoreface and plane of translation govern three kinematic modes of coastal barrier migration: (1) roll-over, (2) hybrid, (3) encroachment. Each mode exhibits differences along the coastal profile in relation to zones of erosion (cut) and redeposition (fill) and to the consequent sediment exchanges across the profile (from the cut to the fill). Each mode produces distinctive facies architectures and specific stratigraphic position of the shoreface-ravinement surface. Environmental conditions (rates of sea-level rise, sediment supply (±), barrier morphology) and kinematic modes both control stratal preservation. Transgressive roll-over, in particular, occurs on gently sloping shelves and involves erosion along the entire shoreface and landward sediment redeposition (by overwash and tidal inlet processes). Three different types of roll-over are possible depending on the conditions of sediment supply (Vs) to the coastal cell: neutral roll-over (Vs=0 m3), which produces no effect on the shelf; depositional roll-over (Vs >0) and erosional (Vs<0) roll-over, which modify the shelf through stratal preservation and erosion, respectively. These differences are quantified in simulations by tracking parameters that principally relate to the trajectory of a ‘neutral point’ (maximum depth of shoreface erosion). The shoreface-ravinement defines the trajectory in all the transgressions and in principle is preserved in the rock record, making it a much more useful tracking point than the shoreline trajectory analysed in other studies. Coastal migration in all kinematic modes includes state-dependent inertial effects, experimentally well evident when, after a perturbation, the drivers (SLR, Vs, ?, M) are maintained constant for a long interval of time. Kinematic inertia appears as progressive geometric self-adjustments of the barrier until it acquires a shape that is stable under prevailing conditions (constant drivers). At this stage (kinematic equilibrium), which is unlikely ever to be attained in nature, simulated transgressions finally evolve with processes and geological products that remain invariant. Kinematic inertia is likely to be an additional factor that governs the real transgressions under most circumstances

Transgressive coastal systems (2nd part): geometric principles of stratal preservation on gently sloping continental shelves

This study focuses on the causes and mechanisms of coastal-lithosome preservation during transgressions driven by roll-over processes of barrier migration. Using the Shoreface Translation Model, a large range of idealised coastal settings was simulated to identify the environmental conditions of stratal preservation. Preservation occurs within two broad categories of experimental conditions. The first category relates to transgressive phases evolving under relatively constant conditions in which stratal preservation takes place only if the coastal barrier experiences positive net sediment supplies. The resulting deposits show tabular geometries, have poorly differentiated internal architectures and tend to extend continuously with quite uniform thickness upslope across plain regions of the shelf. In the second category, by comparison, deposits are thicker and stratal preservation is more localised. Moreover preservation occurs as an adaptive morpho-kinematic response to environmental perturbations due to variations in: (1) the ratio of sediment supply (Vs) to accommodation generated by sea-level rise (SLR); (2) the substrate topography; (3) the morphology of the barrier profile. More specifically, changes of the ratio Vs /SLR, where SLR is an approximate surrogate for added accommodation space, directly promotes growth of the barrier (Vs /SLR >> 0) and its subsequent drowning (Vs /SLR?0). The topographic variations of the substrate may include minor irregularities as well as sudden changes in gradient that afford other types of preservation, such as local fills and residual littoral packages. Finally, barrier-profile changes inducing stratal preservation may include the reduction in barrier width and depth of surf base as well as the increment in shoreface concavity and shoreface length. Simplified methods are given for relating the geometry of preserved deposits to rates of sea-level rise and sediment supply over different shelf slopes, and for identifying the position of the shoreline at specific times. Holocene evolution of some coastal deposits from the Tuscan shelf (Italy) is presented in a morpho kinematic reconstruction to illustrate the geometric relationships for stratal preservation

Scaling relations and baryonic cycling in local star-forming galaxies: II. Gas content and star-formation efficiency

Assessments of the cold-gas reservoir in galaxies are a cornerstone for understanding star-formation processes and the role of feedback and baryonic cycling in galaxy evolution. Here we exploit a sample of 392 galaxies (dubbed MAGMA, Metallicity and Gas for Mass Assembly), presented in a recent paper, to quantify molecular and atomic gas properties across a broad range in stellar mass, Mstar, from ∼107 - 1011 M⊙. First, we find the metallicity (Z) dependence of the conversion factor for CO luminosity to molecular H2 mass αCO to be shallower than previous estimates, with αCO∝ (Z/Z⊙)-1.55. Second, molecular gas mass MH2 is found to be strongly correlated with Mstar and star-formation rate (SFR), enabling predictions of MH2 good to within ∼0.2 dex; analogous relations for atomic gas mass MHI and total gas mass Mgas are less accurate, ∼0.4 dex and ∼0.3 dex, respectively. Indeed, the behavior of atomic gas mass MHI in MAGMA scaling relations suggests that it may be a third, independent variable that encapsulates information about the circumgalactic environment and gas accretion. If Mgas is considered to depend on MHI, together with Mstar and SFR, we obtain a relation that predicts Mgas to within ∼0.05 dex. Finally, the analysis of depletion times and the scaling of MHI/Mstar and MH2/Mstar over three different mass bins suggests that the partition of gas and the regulation of star formation through gas content depends on the mass regime. Dwarf galaxies (Mstar∝ 3 × 109 M⊙) tend to be overwhelmed by (H » I) accretion, and despite short τH2 (and thus presumably high star-formation efficiency), star formation is unable to keep up with the gas supply. For galaxies in the intermediate Mstar "gas-equilibrium"bin (3 × 109 M⊙ ≲ Mstar ≲ 3 × 1010 M⊙), star formation proceeds apace with gas availability, and H I and H2 are both proportional to SFR. In the most massive "gas-poor, bimodality"regime (Mstar ≳ 3 × 1010 M⊙), H I does not apparently participate in star formation, although it generally dominates in mass over H2. Our results confirm that atomic gas plays a key role in baryonic cycling, and is a fundamental ingredient for current and future star formation, especially in dwarf galaxies

Scaling relations and baryonic cycling in local star-forming galaxies: II. Gas content and star-formation efficiency

Assessments of the cold-gas reservoir in galaxies are a cornerstone for understanding star-formation processes and the role of feedback and baryonic cycling in galaxy evolution. Here we exploit a sample of 392 galaxies (dubbed MAGMA, Metallicity and Gas for Mass Assembly), presented in a recent paper, to quantify molecular and atomic gas properties across a broad range in stellar mass, Mstar, from $\sim 10^7 - 10^{11}$ Msun. First, we find the metallicity ($Z$) dependence of alpha_CO to be shallower than previous estimates, with alpha_CO$\propto (Z/Z_\odot)^{-1.55}$. Second, molecular gas mass MH2 is found to be strongly correlated with Mstar and star-formation rate (SFR), enabling predictions of MH2 good to within $\sim$0.2 dex. The behavior of atomic gas mass MHI in MAGMA scaling relations suggests that it may be a third, independent variable that encapsulates information about the circumgalactic environment and gas accretion. If Mgas is considered to depend on MHI, together with Mstar and SFR, we obtain a relation that predicts Mgas to within $\sim$0.05 dex. Finally, the analysis of depletion times and the scaling of MHI/Mstar and MH2/Mstar over three different mass bins suggests that the partition of gas and the regulation of star formation through gas content depends on the mass regime. Dwarf galaxies tend to be overwhelmed by (HI) accretion, while for galaxies in the intermediate Mstar "gas-equilibrium" bin, star formation proceeds apace with gas availability. In the most massive "gas-poor, bimodality" galaxies, HI does not apparently participate in star formation, although it generally dominates in mass over H2. Our results confirm that atomic gas plays a key role in baryonic cycling, and is a fundamental ingredient for current and future star formation, especially in dwarf galaxies. (abridged for arXiv)Comment: 22 pages, 15 figures, 2 appendices, accepted for publication in Astronomy & Astrophysic

Scaling relations and baryonic cycling in local star-forming galaxies: I. The sample

Metallicity and gas content are intimately related in the baryonic exchange cycle of galaxies, and galaxy evolution scenarios can be constrained by quantifying this relation. To this end, we have compiled a sample of ~400 galaxies in the Local Universe, dubbed "MAGMA" (Metallicity And Gas for Mass Assembly), which covers an unprecedented range in parameter space, spanning more than 5 orders of magnitude in stellar mass (Mstar), star-formation rate (SFR), and gas mass (Mgas), and a factor of ~60 in metallicity [Z, 12+log(O/H)]. Stellar masses and SFRs have been recalculated for all the galaxies using IRAC, WISE and GALEX photometry, and 12+log(O/H) has been transformed, where necessary, to a common metallicity calibration. To assess the true dimensionality of the data, we have applied multi-dimensional principal component analyses (PCAs) to our sample. In confirmation of previous work, we find that even with the vast parameter space covered by MAGMA, the relations between Mstar, SFR, Z and Mgas (MHI+MH2) require only two dimensions to describe the hypersurface. To accommodate the curvature in the Mstar-Z relation, we have applied a piecewise 3D PCA that successfully predicts observed 12+log(O/H) to an accuracy of ~0.1dex. MAGMA is a representative sample of isolated star-forming galaxies in the Local Universe, and can be used as a benchmark for cosmological simulations and to calibrate evolutionary trends with redshift.Comment: 21 pages, 12 figures. Accepted for publication in A&A. Sample and results improved compared to previous versions. Some analysis has been removed and will be expanded in future paper

Chiral shape fluctuations and the origin of chirality in cholesteric phases of DNA origamis

Lyotropic cholesteric liquid crystal phases are ubiquitously observed in biological and synthetic polymer solutions, characterized by a complex interplay between thermal fluctuations, entropic and enthalpic forces. The elucidation of the link between microscopic features and macroscopic chiral structure, and of the relative roles of these competing contributions on phase organization, remains a topical issue. Here we provide theoretical evidence of a novel mechanism of chirality amplification in lyotropic liquid crystals, whereby phase chirality is governed by fluctuation-stabilized helical deformations in the conformations of their constituent molecules. Our results compare favorably to recent experimental studies of DNA origami assemblies and demonstrate the influence of intra-molecular mechanics on chiral supra-molecular order, with potential implications for a broad class of experimentally-relevant colloidal systems

Fish Consumption and Colorectal Cancer Risk: Meta-Analysis of Prospective Epidemiological Studies and Review of Evidence from Animal Studies

SIMPLE SUMMARY: We meta-analyzed prospective epidemiological studies reporting on the association between fish consumption and colorectal cancer (CRC) risk among humans and reviewed preclinical studies that examined the link between fish components and colorectal carcinogenesis in animals. By pooling results from 25 studies (encompassing over 25,000 CRC cases) published up to November 2020, we found convincing evidence that increased fish consumption may protect from CRC development among humans. The review of animal studies allowed identifying several biological mechanisms able to explain the associations that have emerged in human populations. Dietary recommendations for cancer prevention should incorporate the evidence from this literature review and meta-analysis. ABSTRACT: Background: Epidemiological studies on the association between fish consumption and colorectal cancer (CRC) risk have yielded inconsistent results, despite evidence from preclinical studies that long-chain ω-3 polyunsaturated fatty acids inhibit colorectal carcinogenesis. We conducted a meta-analysis of prospective epidemiological studies investigating the association between fish consumption and CRC risk among humans and reviewed studies examining the link between fish components and colorectal carcinogenesis in animal models. Methods: We included studies published until November 2020. We calculated the summary risk ratio (SRR) and 95% confidence intervals (CI) through random effects meta-analysis models in order to summarize evidence from studies among humans. Results: Twenty-five prospective epidemiological studies encompassing 25,777 CRC cases were included. Individuals in the highest (vs. lowest) category of fish consumption had a significantly reduced risk of CRC (SRR 0.94, 95%CI 0.89–0.99). In dose–response meta-analysis, a 50-g increment in the daily consumption of fish was associated with a statistically significant 4% reduction in CRC risk (SRR 0.96, 95%CI 0.92–0.99). Preclinical studies (n = 25) identified multiple mechanisms of action of fish and fish components on colorectal carcinogenesis. Conclusions: Dietary recommendations for cancer prevention should take into account the evidence from epidemiological and preclinical studies that increasing fish consumption may be effective in preventing CRC