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PRS-CSx is a polygenic risk score construction method that improves cross-population polygenic prediction by integrating GWAS summary statistics from multiple populations.

Green hydrogen production via water electrolysis requires a low-cost solution to provide efficient catalysts. Here, the authors report an industrially scalable method for synthesizing NiFe layered double hydroxide at room temperature and atmospheric pressure, enhancing alkaline electrolysis.

The emergence of relaxation in unitarily evolving systems can be seen as a paradox, but not once the distinction between local and global dynamics is considered. Here, the authors use photons in an integrated optical interferometer to show that, for a system evolving unitarily on a global level, single-mode measurements converge to those of a thermal state.

A quantum many-body system’s equilibrium behaviour is described by its partition function, which is hard to compute. Now it has been shown that the easier task of finding an approximation could define a distinct class of computational problems.

The response of organic molecules to climate change is linked to warming, nutrient loading, and greenhouse gas emissions, according to an indicator developed to quantify the aggregated thermal response of individual organic molecules.

Selective chemical upcycling of polyolefin mixtures remains challenging due to the structural similarity of their backbones. Now it has been shown that a single-site nickel catalyst can preferentially and efficiently cleave branched C–C bonds, enabling the hydrogenolytic separation of isotactic polypropylene from mixtures containing both isotactic polypropylene and polyethylene.

Chemoselective dual functionalization of proteins is an invaluable tool to introduce two distinct payloads to proteins. Here, the authors present N-alkylpyridinium reagents as soft electrophiles for chemoselective dual modification of cysteine residues in peptides or proteins via a 1,6-addition reaction.

The Connectome 2.0 MRI scanner reconstructs the fine fibres in the human brain and determines cellular and axonal size at an ultra-high resolution.

Free energy calculations are an essential tool to identify targets for individual proteins. Here, authors describe free energy perturbation (FEP+) calculations to optimise on target and off-target potencies for the discovery of potent Wee1 inhibitors with kinome-wide selectivity.

Experimental studies of hydrogen at high pressure are challenging, so theory is central to understanding its phase behaviour; however, computed phase diagrams do not agree with previous measurements. Here, the authors use a quantum Monte Carlo method and present results in qualitative agreement with experiment.

Predictive computational approaches are fundamental to accelerating solid-state inorganic synthesis. This work demonstrates a computational tractable approach constructed from available thermochemistry data and based on a graph-based network model for predicting solid-state inorganic reaction pathways.

The authors present sample-based quantum diagonalization (SQD) simulations of non-covalent interactions that match the accuracy of state-of-the-art classical methods. These results mark a key step towards quantum advantage, though further advances are needed to fully realize this potential.

Learning the Hamiltonian of a complex many-body system is hard, but now there is proof that it can be done in a way where the number of required measurements scales as a polynomial of the number of particles.

GIANT, a genetically informed brain atlas, integrates genetic heritability with neuroanatomy. It shows strong neuroanatomical validity and surpasses traditional atlases in discovery power for brain imaging genomics.

The contribution of vibrations to the stability of high-entropy ceramics is still controversial. Here the authors computationally integrate disorder parameterization, phonon modelling, and thermodynamic characterization to investigate the role of vibrations to the stability of high-entropy carbides.

It has been predicted that a quantum system in the presence of quantum friction (which describes creation of coherence in the instantaneous energy basis) violates the usual work fluctuation-dissipation relation. Here, the authors confirm this hypothesis using a trapped ion.

Carbon capture, utilization and storage is key for climate change mitigation and developing more environmentally friendly technologies. Now it has been shown that CO₂ capture in single-component water-lean solvents is accompanied by the self-assembly of reverse-micelle-like tetrameric clusters in solution that enable the formation of various CO₂-containing compounds.

We present a synthetic method that transforms complex pyrimidine-containing structures into iminoenamines and then uses de novo heterocycle synthesis to obtain substituted pyrimidine and 1,2-azole analogues.

In open-field-line magnetic plasma traps, the attainable cross-field voltage drops are limited by the tolerances of the solid materials of the vacuum vessel. Here, the authors demonstrate the possibility of equilibria that isolate large voltage drops to the interior of the plasma, circumventing this limit.

Plasma proteomic analysis of presymptomatic individuals with amyotrophic lateral sclerosis identifies novel disease-associated proteins and enables the development of an accurate diagnostic biomarker panel.

Defined levels of SARS-CoV-2-specific binding and neutralizing antibodies elicited by the COVID-19 vaccine ChAdOx1 nCoV-19 are identified as correlates of protection against symptomatic infection.

Deuterated amines play a crucial role as building blocks in drug synthesis and in identifying metabolites of novel pharmaceuticals. This study introduces a dual-functional phosphorus-doped iron single-atom catalyst that efficiently enables both reductive amination and deuteration in a one-pot process, utilizing H₂ as the reducing agent and cost-effective D₂O as the deuterium source.

The compositional space of potential high-entropy alloys is gigantic and difficult to explore efficiently. Here, the authors use high-throughput first-principles computations to predict what elements can mix to form high-entropy alloys, understanding of the factors favoring their formation.

Sydnor et al. developed a new tractography atlas of thalamocortical structural connections and applied it to three youth samples. They uncovered coordinated development between thalamic connectivity and hierarchical cortical plasticity in humans.

Stereotactic needle biopsies are currently performed for diagnosis only in glioblastoma; this study highlights the depth of information available through multi-omics analysis.

Body size and composition are complex traits that are challenging to characterize due to environmental and genetic influences. Here, Arehart et al. disentangle shared and distinct genetic signals underlying body size and composition.

Interpreting spectroscopic data in real time remains a challenge in chemical characterization. Here a digital twin framework is developed that links first-principles theory and experimental data via a bidirectional feedback loop, enabling on-the-fly decision-making and insights into reaction mechanisms based on measured spectra during chemical experiments.

In this study, the authors use metabolic modelling and isotope labelling to show that archaea can reverse the anaerobic breakdown of butane, turning CO₂ back into the gas, which could help explain how some natural gases form providing new insights into Earth’s hidden microbial activities.

Capture of CO₂ from the air requires substantial amounts of energy. Here the authors report molten-carbonate membranes to concentrate CO₂ from 400 ppm input streams that exploit ambient energy in the form of humidity differences.

Deep learning-based generative tools are used to design protein building blocks with well-defined directional bonding interactions, allowing the generation of a variety of scalable protein assemblies from a small set of reusable subunits.

The endosomal retrieval subdomain organizes recycling of endocytosed proteins. Here, using proximity proteomics, the authors reveal that this recycling subdomain regulates switching of specific RAB GTPases, a feature likely important in neuroprotection.

A major challenge in protein design is to augment existing functional proteins with multiple property enhancements. Here the authors use the evolutionary model EVcouplings to computationally design highly mutated variants of TEM-1 ß-lactamase, and characterise these designs experimentally.

Uprooting stem cells from their native environment and transplanting them to other individuals exaggerates selective pressures, distorting and accelerating the loss of clonal diversity in contrast to the unperturbed haematopoiesis of donors.