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Abstract The dynamics of star-forming gas can be affected by many physical processes, such as turbulence, gravity, supernova explosions, and magnetic fields. In this paper, we investigate several nearby star-forming regions (Orion, Upper Sco, Taurus, and Perseus) for kinematic imprints of these influences on the newly formed stars. Using Gaia DR3 astrometry and APOGEE DR17 radial velocities, we compute first-order velocity structure functions (VSFs) of young stars in galactic Cartesian coordinates in both 6D (3D positions and 3D velocities) and 4D (3D positions and each 1D velocity) to identify signatures of turbulence and anisotropic motion. We also construct 3D and 1D radial velocity profiles to identify coherent expansion trends, and compare stellar proper motions to plane-of-sky magnetic field orientations in Taurus and Perseus. We find that the VSFs are mildly anisotropic, with slightly different amplitudes, slopes, or features in different directions in several groups, but in general, they are all consistent with Larson’s Relation at intermediate length scales, especially in less compact groups. In several cases, the VSFs exhibit features suggestive of local energy injection from supernovae. Radial velocity profiles reveal clear anisotropic expansion in multiple groups, with the most extreme cases corresponding to those with the most anisotropic VSFs. In Perseus, we find that the motions of young stars are preferentially perpendicular to the local magnetic field. We find multiple, overlapping causes in each group for the observed kinematics. Our findings support that young stars remember more than just the turbulent state of their natal clouds.more » « lessFree, publicly-accessible full text available September 5, 2026
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Small molecule solutions to many contemporary societal challenges await discovery, but the artisanal and manual process via which this class of chemical matter is typically accessed limits the discovery of new functions. Automated assembly of (N‐methyl iminodiacetic acid) MIDA or (tetramethyl N‐methyl iminodiacetic acid) TIDA boronate building blocks via iterative C─C bond formation, an approach we call “block chemistry”, alternatively enables generalized and automated preparation of many different types of small molecules in a modular fashion. But in its current form, this engine cannot also leverage nitrogen atoms as iteration handles. Here, we disclose a new iteration‐enabling group, CbzT (p‐TIDA boronate‐substituted carboxybenzyl), that reversibly attenuates the reactivity of nitrogen atoms and enables generalized catch‐and‐release purification. CbzT is leveraged to achieve the automated modular synthesis of Imatinib (Gleevec), an archetypical clinically approved kinase inhibitor, in which building blocks are iteratively linked by both N─C and C─C bonds. This work substantially expands the types of small molecules that can be iteratively assembled in an automated modular fashion. It also advances the concept of intentionally developing chemistry that machines can do.more » « lessFree, publicly-accessible full text available August 11, 2026
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Abstract The large-scale morphology of Milky Way (MW)–mass dark matter halos is shaped by two key processes: filamentary accretion from the cosmic web and interactions with massive satellites. Disentangling their contributions is essential for understanding galaxy evolution and constructing accurate mass models of the MW. We analyze the time-dependent structure of MW-mass halos from zoomed cosmological-hydrodynamical simulations by decomposing their mass distribution into spherical harmonic expansions. We find that the dipole and quadrupole moments dominate the gravitational power spectrum, encoding key information about the halo’s shape and its interaction with the cosmic environment. While the dipole reflects transient perturbations from infalling satellites and damps on dynamical timescales, the quadrupole—linked to the halo’s triaxiality—is a persistent feature. We show that the quadrupole’s orientation aligns with the largest filaments, imprinting a long-lived memory on the halo’s morphology even in its inner regions (∼30 kpc). At the virial radius, the quadrupole distortion can reach 1–2 times the spherical density, highlighting the importance of environment in shaping MW-mass halos. Using multichannel singular spectrum analysis, we successfully disentangle the effects of satellite mergers and filamentary accretion on quadrupole. We find that, compared to isolated MW–LMC simulations that typically use a spherical halo, the LMC-mass satellite induces a quadrupolar response that is an order of magnitude larger in our cosmological halo. This highlights the need for models that incorporate the MW’s asymmetry and time evolution, with direct consequences for observable structures such as disk warps, the LMC-induced wake, and stellar tracers—particularly in the era of precision astrometry.more » « lessFree, publicly-accessible full text available July 24, 2026
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Free, publicly-accessible full text available April 1, 2026
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Abstract Many of the greatest challenges facing society today likely have molecular solutions that await discovery. However, the process of identifying and manufacturing such molecules has remained slow and highly specialist dependent. Interfacing the fields of artificial intelligence (AI) and synthetic organic chemistry has the potential to powerfully address both limitations. The Molecule Maker Lab Institute (MMLI) brings together a team of chemists, engineers, and AI‐experts from the University of Illinois Urbana‐Champaign (UIUC), Pennsylvania State University, and the Rochester Institute of Technology, with the goal of accelerating the discovery, synthesis and manufacture of complex organic molecules. Advanced AI and machine learning (ML) methods are deployed in four key thrusts: (1) AI‐enabled synthesis planning, (2) AI‐enabled catalyst development, (3) AI‐enabled molecule manufacturing, and (4) AI‐enabled molecule discovery. The MMLI's new AI‐enabled synthesis platform integrates chemical and enzymatic catalysis with literature mining and ML to predict the best way to make new molecules with desirable biological and material properties. The MMLI is transforming chemical synthesis and generating use‐inspired AI advances. Simultaneously, the MMLI is also acting as a training ground for the next generation of scientists with combined expertise in chemistry and AI. Outreach efforts aimed toward high school students and the public are being used to show how AI‐enabled tools can help to make chemical synthesis accessible to nonexperts.more » « less
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Abstract Drought-induced productivity reductions and tree mortality have been increasing in recent decades in forests around the globe. Developing adaptation strategies hinges on an adequate understanding of the mechanisms governing the drought vulnerability of forest stands. Prescribed reduction in stand density has been used as a management tool to reduce water stress and wildfire risk, but the processes that modulate fine-scale variations in plant water supply and water demand are largely missing in ecosystem models. We used an ecohydrological model that couples plant hydraulics with groundwater hydrology to examine how within-stand variations in tree spatial arrangements and topography might mitigate forest vulnerability to drought at individual-tree and stand scales. Our results demonstrated thinning generally ameliorated plant hydraulic stress and improved carbon and water fluxes of the remaining trees, although the effectiveness varied by climate and topography. Variable thinning that adjusted thinning intensity based on topography-mediated water availability achieved higher stand productivity and lower mortality risk, compared to evenly-spaced thinning at comparable intensities. The results from numerical experiments provided mechanistic evidence that topography mediates the effectiveness of thinning and highlighted the need for an explicit consideration of within-stand heterogeneity in trees and abiotic environments when designing forest thinning to mitigate drought impacts.more » « less
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Abstract Arynes are highly reactive and versatile intermediates for the functionalization of aromatic rings that are often generated using strong bases or fluoride sources, which, in some cases, can limit functional group tolerance. Here we demonstrate that triaryloxonium ions can be transformed into arynes through treatment with solid potassium phosphate at room temperature. A substantial range of functional group-bearing arynes, including 4,5-pyrimidynes, may be generated and trapped using cycloaddition reactions with high yields. Other arynophiles including nitrones, alkenes and azides are compatible with these conditions. Quantum computation in conjunction with an intramolecular kinetic isotope study is consistent with an elimination, unimolecular, conjugate base-like mechanism of elimination to form the aryne. These investigations demonstrate that the oxonium ion is a powerful electron-withdrawing group and a particularly effective leaving group. We anticipate that this study will stimulate further investigations into the synthetic utility of aryl oxonium ions.more » « less
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Scientists seek to understand the causal processes that generate sustainability problems and determine effective solutions. Yet, causal inquiry in nature–society systems is hampered by conceptual and methodological challenges that arise from nature–society interdependencies and the complex dynamics they create. Here, we demonstrate how sustainability scientists can address these challenges and make more robust causal claims through better integration between empirical analyses and process- or agent-based modeling. To illustrate how these different epistemological traditions can be integrated, we present four studies of air pollution regulation, natural resource management, and the spread of COVID-19. The studies show how integration can improve empirical estimates of causal effects, inform future research designs and data collection, enhance understanding of the complex dynamics that underlie observed temporal patterns, and elucidate causal mechanisms and the contexts in which they operate. These advances in causal understanding can help sustainability scientists develop better theories of phenomena where social and ecological processes are dynamically intertwined and prior causal knowledge and data are limited. The improved causal understanding also enhances governance by helping scientists and practitioners choose among potential interventions, decide when and how the timing of an intervention matters, and anticipate unexpected outcomes. Methodological integration, however, requires skills and efforts of all involved to learn how members of the respective other tradition think and analyze nature–society systems.more » « less
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