Decoding the interaction mediators from landscape-induced spatial patterns.

Interactions between organisms are mediated by an intricate network of physico-chemical substances and other organisms. Understanding the dynamics of mediators and how they shape the population spatial distribution is key to predict ecological outcomes and how they would be transformed by changes in environmental constraints. However, due to the inherent complexity involved, this task is often unfeasible, from the empirical and theoretical perspectives.

Two-dimensional polyaniline crystal with metallic out-of-plane conductivity.

Linear conducting polymers show ballistic transport, imposed by mobile carriers moving along the polymer chains, whereas conductance in the extended dimension, that is, between polymer strands or layers, remains weak due to the lack of intermolecular ordering and electronic coupling. Here we report a multilayer-stacked two-dimensional polyaniline (2DPANI) crystal, which shows metallic out-of-plane charge transport with high electrical conductivity. The material comprises columnar π arrays with an interlayer distance of 3.

Artificial Intelligence Methods in Infection Biology Research.

Despite unprecedented achievements, the domain-specific application of artificial intelligence (AI) in the realm of infection biology was still in its infancy just a couple of years ago. This is largely attributable to the proneness of the infection biology community to shirk quantitative techniques. The so-called "sorting machine" paradigm was prevailing at that time, meaning that AI applications were primarily confined to the automation of tedious laboratory tasks.

The promise of community-driven preprints in ecology and evolution.

Publishing preprints is quickly becoming commonplace in ecology and evolutionary biology. Preprints can facilitate the rapid sharing of scientific knowledge establishing precedence and enabling feedback from the research community before peer review. Yet, significant barriers to preprint use exist, including language barriers, a lack of understanding about the benefits of preprints and a lack of diversity in the types of research outputs accepted (e.

A Low-Symmetry Copper Benzenehexathiol Coordination Polymer with In-Plane Electrical Anisotropy.

Electrically conductive coordination polymers (ECCPs), particularly those incorporating benzenehexathiol (BHT) ligands, are emerging as a distinctive class of electronic materials with tunable semiconducting and metallic properties. However, the exploration of novel ECCPs with low-symmetry structures and electrical anisotropy remains under development. Here, we report the on-water surface synthesis of a novel ECCP, namely CuBHT, which exhibits a low-symmetry structure and unique in-plane electrical anisotropy that differs from the well-known CuBHT phase.

Photocatalytic Dehalogenation of Aryl Halides Mediated by the Flexible Metal-Organic Framework MIL-53(Cr).

The catalytic potential of flexible metal-organic frameworks (MOFs) remains underexplored, particularly in liquid-phase reactions. This study employs MIL-53(Cr), a prototypical "breathing" MOF capable of structural adaptation via pore size modulation, as a photocatalyst for the dehalogenation of aryl halides. Powder X-ray diffraction and Pair Distribution Function analyses reveal that organic solvents influence pore opening, while substrates and products dynamically adjust the framework configuration during catalysis.

Microscopy image reconstruction with physics-informed denoising diffusion probabilistic model.

Light microscopy is a practical tool for advancing biomedical research and diagnostics, offering invaluable insights into the cellular and subcellular structures of living organisms. However, diffraction and optical imperfections actively hinder the attainment of high-quality images. In recent years, there has been a growing interest in applying deep learning techniques to overcome these challenges in light microscopy imaging.

Modeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors.

We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the electron dynamics during ion evolution. First, a semiclassical method is discussed, which is corrected based on known quantum constraints, and second, a direct computation of the density response function within the molecular dynamics. The wave-packet models are compared to PIMC and DFT-MD for the static and low-frequency behavior.

Probing iron in Earth's core with molecular-spin dynamics.

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements.

Autocatalytic Reaction Networks: A Pathway to Spatial Temporal Mastery in Dynamic Materials.

Autocatalytic reaction present a significant opportunity for the precise spatial and temporal control of dynamic materials, mimicking the characteristics of living matter within autonomous chemical systems. Herein, we have crafted an autocatalytic chemical reaction network (CRN) designed to be incorporated into a dynamic system, allowing for efficient control of both sol(I)-gel and gel-sol(II) transitions through autocatalytic fronts. The CRN incorporates two autocatalytic reactions.

Robust Computation and Analysis of Vibrational Spectra of Layered Framework Materials Including Host-Guest Interactions.

Layered framework materials, a rapidly advancing class of porous materials, are composed of molecular components stitched together via covalent bonds and are usually synthesized through wet-chemical methods. Computational infrared (IR) and Raman spectra are among the most important characterization tools for this material class. Besides the known spectra of the molecular building blocks and the solvent, they allow for monitoring of the framework formation during synthesis.

Intraspecific encounters can lead to reduced range overlap.

Direct encounters, in which two or more individuals are physically close to one another, are a topic of increasing interest as more and better movement data become available. Recent progress, including the development of statistical tools for estimating robust measures of changes in animals' space use over time, facilitates opportunities to link direct encounters between individuals with the long-term consequences of those encounters. Working with movement data for coyotes (Canis latrans) and grizzly bears (Ursus arctos horribilis), we investigate whether close intraspecific encounters were associated with spatial shifts in the animals' range distributions, as might be expected if one or both of the individuals involved in an encounter were seeking to reduce or avoid conflict over space.

Plant antagonistic facilitation across environmental gradients: a soil-resource ecosystem engineering model.

Theory questions the persistence of nonreciprocal interactions in which one plant has a positive net effect on a neighbor that, in return, has a negative net impact on its benefactor - a phenomenon known as antagonistic facilitation. We develop a spatially explicit consumer-resource model for belowground plant competition between ecosystem engineers, plants able to mine resources and make them available for any other plant in the community, and exploiters. We use the model to determine in what environmental conditions antagonistic facilitation via soil-resource engineering emerges as an optimal strategy.

Spatial computational modelling illuminates the role of the tumour microenvironment for treating glioblastoma with immunotherapies.

Glioblastoma is the most common and deadliest brain tumour in adults, with a median survival of 15 months under the current standard of care. Immunotherapies like immune checkpoint inhibitors and oncolytic viruses have been extensively studied to improve this endpoint. However, most thus far have failed.

Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: A Way Out of Multiple Minima and Symmetry Breaking.

The Perdew-Zunger (PZ) self-interaction correction (SIC) is an established tool to correct unphysical behavior in density functional approximations. Yet, the PZ-SIC is well-known to sometimes break molecular symmetries. An example of this is the benzene molecule, for which the PZ-SIC predicts a symmetry-broken electron density and molecular geometry, since the method does not describe the two possible Kekulé structures on an even footing, leading to local minima [Lehtola et al.

Ultrafast Two-Color X-Ray Emission Spectroscopy Reveals Excited State Landscape in a Base Metal Dyad.

Effective photoinduced charge transfer makes molecular bimetallic assemblies attractive for applications as active light-induced proton reduction systems. Developing competitive base metal dyads is mandatory for a more sustainable future. However, the electron transfer mechanisms from the photosensitizer to the proton reduction catalyst in base metal dyads remain so far unexplored.

Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics.

MAX phase is a family of ceramic compounds, typically known for their metallic properties. However, we show here that some of them may be narrow bandgap semiconductors. Using a series of first-principles calculations, we have investigated the electronic structures of 861 dynamically stable MAX phases.

(Sub-)Picosecond Surface Correlations of Femtosecond Laser Excited Al-Coated Multilayers Observed by Grazing-Incidence X-ray Scattering.

Femtosecond high-intensity laser pulses at intensities surpassing 10 W/cm can generate a diverse range of functional surface nanostructures. Achieving precise control over the production of these functional structures necessitates a thorough understanding of the surface morphology dynamics with nanometer-scale spatial resolution and picosecond-scale temporal resolution. In this study, we show that single XFEL pulses can elucidate structural changes on surfaces induced by laser-generated plasmas using grazing-incidence small-angle X-ray scattering (GISAXS).

Nonreciprocal feedback induces migrating oblique and horizontal banded vegetation patterns in hyperarid landscapes.

In hyperarid environments, vegetation is highly fragmented, with plant populations exhibiting non-random biphasic structures where regions of high biomass density are separated by bare soil. In the Atacama Desert of northern Chile, rainfall is virtually nonexistent, but fog pushed in from the interior sustains patches of vegetation in a barren environment. Tillandsia landbeckii, a plant with no functional roots, survives entirely on fog corridors as a water source.

Demographic effects of aggregation in the presence of a component Allee effect.

The component Allee effect (AE) is the positive correlation between an organism's fitness component and population density. Depending on the population spatial structure, which determines the interactions between organisms, a component AE might lead to positive density dependence in the population per-capita growth rate and establish a demographic AE. However, existing spatial models impose a fixed population spatial structure, which limits the understanding of how a component AE and spatial dynamics jointly determine the existence of demographic AEs.

X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain.

We present a formally exact and simulation-free approach for the normalization of X-ray Thomson scattering (XRTS) spectra based on the f-sum rule of the imaginary-time correlation function (ITCF). Our method works for any degree of collectivity, over a broad range of temperatures, and is applicable even in nonequilibrium situations. In addition to giving us model-free access to electronic correlations, this new approach opens up the intriguing possibility to extract a plethora of physical properties from the ITCF based on XRTS experiments.