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Visualizing host–guest co-assembly of π-expanded radialene macrocycle with C60
In this study, an electron-rich π-conjugated hexameric radialene macrocycle (HRM) was rationally designed and synthesized to function as a host for the encapsulation of electron-deficient fullerene C60. Owing to the combination of geometric complementarity and cavity size, the HRM selectively accommodated C60 both in solution and at the liquid/solid interface. UV–vis absorption spectroscopy revealed pronounced spectral variations upon the addition of C60, indicative of host–guest complexation in solution. Visual scanning tunneling microscopy imaging further corroborated the formation of a host–guest (HRM–C60) complex at the 1-phenyloctane/highly oriented pyrolytic graphite interface. Collectively, the theoretical calculations and the experimental results established HRM as an effective electron-donating host capable of binding C60 through noncovalent interactions.
Sex differences in healthy brain aging are unlikely to explain higher Alzheimer’s disease prevalence in women
As Alzheimer’s disease (AD) is diagnosed more frequently in women, understanding the role of sex has become a key priority in AD research. However, despite aging being the primary risk factor for AD, it remains unclear whether men and women differ in the extent of brain decline with age. Using 12,638 longitudinal brain MRIs from 4,726 participants aged 17 to 95 y across 14 cohorts, we examined sex differences in structural brain changes over time, controlling for differences in head size. Men showed greater cortical thickness (CT) decline in the cuneus, lingual, parahippocampal, and pericalcarine regions; surface area decline in the fusiform and postcentral regions; and in older adults, greater subcortical decline in the caudate, nucleus accumbens, putamen, and pallidum. In contrast, women only showed greater surface area decline in the banks of the superior temporal sulcus and greater ventricular expansion in older adults. These results suggest that sex differences in age-related brain decline are unlikely to contribute to the higher AD diagnosis prevalence in women, necessitating research into alternative explanations.
And-1 coordinates with polymerase δ to regulate nucleotide excision repair and UVB-induced skin tumorigenesis
Abstract The nucleotide excision repair (NER) pathway is the primary mechanism for removing UVB-induced photoproducts in mammals. While early steps of NER are well defined, the later step of gap-filling DNA synthesis remains incompletely understood. Here, we report And-1, a DNA replication and repair factor, as a critical regulator of this process. And-1 localizes to UV lesions, directly interacts with the catalytic subunit of DNA polymerase δ (p125), and promotes its recruitment to facilitate repair synthesis. In vitro, And-1 enhances p125 polymerase activity. Importantly, And-1 function in NER requires phosphorylation at T826, which strengthens its binding to both damaged DNA and p125. To evaluate its physiological relevance, we generated phosphorylation-deficient And-1 knock-in mice. These mice exhibited impaired NER and developed keratoacanthomas upon chronic UVB exposure. Collectively, our findings uncover And-1 as a pivotal factor in NER-mediated DNA repair and highlight its role in skin tumorigenesis.
A new heuristic framework for estimating indirect (Scope 3) emissions of large organizations
Abstract Large businesses and organizations are pledging voluntary actions for climate change mitigation. Alongside such pledges, government regulations that mandate climate-related disclosures for large corporations are also emerging. Both for compliance with such mandates and effective voluntary action, organizations need reliable information on their indirect emissions, which refers to emissions arising upstream and downstream to their own operations, and which, for many types of industries (such as education, finance, health care, hospitality and retail) can be several-times their own or direct emissions. However, the best approach to estimating indirect emissions requires conducting a life cycle assessment (LCA) for a large number (potentially thousands) of different products and services, which is costly. To overcome this, we present a heuristic approach that combines insights derived from LCA and data analytic techniques to identify a relatively small number of products that might account for a large share of indirect emissions, specifically Scope 3 emissions. We apply our approach to a dataset comprising over 25,000 products spanning 105 different product categories, purchased by a large tertiary-care hospital and show that this can help organizations prioritize actions aimed at reducing their indirect emissions.
Bayesian inference of anisotropic 2D small-angle scattering from sparse measurement
We present a Bayesian inference framework for reconstructing anisotropic two-dimensional small-angle scattering (2D SAS) patterns from sparse, noisy, or partially missing data. The method combines a symmetry-aware angular basis with radial Gaussian process priors to enable accurate, training-free interpolation and denoising. Computational benchmarks demonstrate reliable recovery of both isotropic and high-order anisotropic features under severe data reduction. Experimental validations on stretched polymers, sheared wormlike micelles, and carbon fibers show improved fidelity and resolution compared to raw measurements, achieving comparable accuracy with up to 50-fold fewer detected neutrons. This approach enables quantitative structural analysis under low-flux, time-limited, or single-shot conditions, extending the applicability of 2D SAS techniques to compact neutron sources and mechanically driven soft matter systems undergoing transient structural changes.
Synthetic bottlebrush block copolymer prevents disease onset in Duchenne muscular dystrophy
Duchenne muscular dystrophy (DMD) is a fatal genetic disease of progressive muscle deterioration with no cure. DMD treatment requires a body-wide approach to target all diseased striated muscles: limb, respiratory, and heart. To address this, we focus studies on blocking the onset of muscle membrane instability, the primary defect in DMD, as a promising yet unmet druggable target. Here, data show the remarkable potency of a synthetic poly(ethylene oxide)/poly(propylene oxide) side chain–based bottlebrush block copolymer, ~150,000 times more potent than linear polymers, to rapidly restore contractile function to DMD skeletal muscle fibers in vitro. Strikingly, upon bottlebrush polymer delivery to DMD animals, results show highly efficacious prevention of the onset of skeletal and diaphragm muscle damage and the blocking of stress-induced cardiac injury and death in vivo. These data suggest bottlebrush polymers as a potent stand-alone muscle membrane-stabilizing therapeutic for DMD. Given DMD’s early childhood onset, together with newborn screening for DMD, bottlebrush macromolecules could be envisioned as an early therapy to preserve and protect viable muscle and potentially for other acquired or inherited diseases involving membrane damage.
Significant sensitivity of global vegetation productivity to terrestrial surface wind speed changes
Physiology guided coronary revascularization using a hybrid RFR-FFR strategy for Non ST elevation acute coronary syndrome
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators
Accurately modeling polarization and van der Waals (vdW) interactions in atomistic systems typically requires high-level quantum-mechanical methods that are computationally expensive, hence limited in applicability. To address this challenge, efficient yet physically grounded models are needed—ones that not only enable accurate predictions but also provide insight into how noncovalent interactions scale in complex molecular and material systems. This review highlights the quantum Drude oscillator (QDO) model, a physically motivated and computationally efficient framework that captures the essential features of electronic response, including polarization and dispersion forces, across a wide range of chemical and material systems. We discuss how the QDO model quantitatively reproduces the polarization response of many-electron atoms and how key components of noncovalent interactions—exchange-repulsion, polarization, and dispersion—emerge naturally in QDO dimers. Furthermore, the model provides predictive scaling laws that elucidate trends in polarizability and dispersion across the periodic table and in molecular assemblies. By uniting interpretability, accuracy, and efficiency, the QDO model offers a versatile approach for modeling noncovalent interactions in systems ranging from isolated molecules to complex condensed phases and nanostructured materials.
Neural predictors of hidden, persistent psychological states at work
Common workplace challenges such as feeling overwhelmed, burned out, or disengaged often remain hidden due to fear of judgment or social norms, contributing to rising mental health crises and organizational dysfunction. This study presents a brain-based framework for predicting these hidden and persistent psychological states through noninvasive neuroimaging. We used functional near-infrared spectroscopy to record neural activity from 67 executives in the field as they watched a video about workplace attitudes. We then applied a multitimepoint pattern analysis (MTPA) approach to reduce timeseries dimensionality and successfully classify whether individuals were feeling overwhelmed (72.8% accuracy) or in need of a new or different challenge (79.1% accuracy) in their careers using the temporal parietal junction (TPJ) and dorsal medial prefrontal cortex (dmPFC), respectively. The MTPA framework also allowed us to reverse-engineer specific thematic properties of the stimulus that evoked differential neural responses linked to these predicted outcomes. Emotional content in the video (e.g., reported distress) corresponded to the selected TPJ features that predicted whether someone was overwhelmed, while socially relevant content (e.g., missing social gatherings) aligned with the selected features from the dmPFC that predicted the need for a new or different challenge. These findings demonstrate the ability of neural measures to unobtrusively identify hidden and persistent psychological states in real-world settings, enabling targeted interventions that can improve well-being and engagement.
Structural basis for 3C and 3CD recruitment by enteroviral genomes during negative-strand RNA synthesis
FAM83A is a prognostic biomarker for lung squamous cell carcinoma and correlated with immunoregulation
Photoinduced electronic excitations drive polymerization of carbon monoxide: A first-principles study
Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experimental observations have shown that laser irradiation can induce a similar transformation at reduced pressure. The resulting polymeric phase, which is metastable under ambient conditions, releases energy through decomposition into more stable configurations. Using time-dependent density functional theory and Born–Oppenheimer molecular dynamics simulations, we investigate the mechanism by which electronic excitation facilitates CO polymerization. Our calculations reveal that electronic excitation enhances carbon–carbon bonding, enabling polymerization at pressures significantly lower than those required by conventional compression methods. These findings suggest that a photo-assisted approach could be employed to synthesize novel, potentially energetic materials under less demanding pressure conditions.
Hydrothermal vent temperatures track magmatic inflation and forecast eruptions at the East Pacific Rise, 9°50’N
Hydrothermal vent temperatures fluctuate in response to transient magmatic and tectonic activity at the axis of mid-ocean ridges (MORs) and modulate energy fluxes from the deep Earth to the ocean. Such fluctuations have thus far only been documented on time scales of minutes to years, because of the scarcity of long, continuous observations. Here, we assemble a ~35-year-long time series of exit fluid temperatures from five hydrothermal vents on the East Pacific Rise axis, between 9°46’-51’N. This dataset reveals a steady increase in maximum venting temperatures atop the central part of the axial magma lens (AML), from ~350 °C to ~390 °C between the 1991–92 and 2005–06 eruptions. Temperatures decreased back to ~350 °C shortly after the 2005–06 eruption and have been rising ever since. We interpret the temperature increase as a result of a steady decrease in upflow zone permeability caused by the steady inflation of the AML compressing the oceanic upper crust. Using laboratory-determined pressure–permeability relations, we estimate crustal pressurization rates of 0.38 MPa/y (1992–2005) and 0.33 MPa/y (post-2006), consistent with geodetic observations from 2009–2011. Decadal fluctuations in hydrothermal vent temperatures likely mimic the rate of AML pressurization, yielding valuable new constraints on the dynamics of magmatic replenishment and eruptions at MORs. Notably, this temperature time series underpinned our forecast of the April 2025 eruption at the study site.
CENP-E initiates chromosome congression by opposing Aurora kinases to promote end-on attachments
Abstract Accurate cell division relies on rapid chromosome congression. The kinetochore motor protein CENP-E/kinesin-7 is uniquely required for congression of polar chromosomes. It is currently assumed that CENP-E drives congression by gliding kinetochores along microtubules independently of their biorientation. Here, by studying chromosome movement under different levels of CENP-E activity, we favor an alternative model in which CENP-E initiates congression by promoting stabilization of end-on attachments. In this way, CENP-E accelerates congression initiation without significantly contributing to subsequent movement. Stabilization of end-on attachments on polar chromosomes without CENP-E is delayed due to Aurora kinase-mediated hyperphosphorylation of microtubule-binding proteins and expansion of the fibrous corona. CENP-E counters this by reducing Aurora B-mediated phosphorylation in a BubR1-dependent manner, thereby stabilizing initial end-on attachments, facilitating removal of the fibrous corona, and triggering biorientation-dependent chromosome movement. These findings support a unified model of chromosome movement in which congression is intrinsically coupled to biorientation.
Relationship between dementia diagnostic characteristics and severity of depressive symptoms in a cross-sectional analysis of HOMESIDE baseline data
Hydration of tryptophan probed by triplet lifetime isotope effect
Water plays an essential role in the structures, dynamics, and functions of proteins. The experimental determination of the presence of water in proteins remains a challenge. Tryptophan and its derivatives are well-studied molecules whose photophysical properties are sensitive to the local environment. In particular, the lifetime of the triplet state is impacted by the presence of nearby water via coupling to high-frequency vibrational modes of solvent. The ratio of the indole triplet lifetimes in D2O and H2O (τD/τH), called the triplet lifetime isotope effect (3LIE), is 1.6. The feasibility of using measurements of 3LIE to assess hydration of tryptophan residues in proteins was explored, with focus on a membrane-associated model compound, tryptophan octyl-ester; soluble proteins, human serum albumin and ribonuclease T1; the membrane peptide melittin; a leucine-rich synthetic membrane peptide we call leucimer; and the membrane protein outer membrane protein A. The results indicate that while there is variation in the triplet lifetimes depending on the local environment, the value of 3LIE reflects the absence (3LIE = 1.0) or presence (3LIE > 1.0) of nearby water. Molecular dynamics simulations support this interpretation. The mechanism and number of water O–H bonds that couple to the triplet state were explored. These findings suggest that measurements of 3LIE can be applied to directly monitor changes in the hydration of proteins.
Post-reproductive lifespan in wild mountain gorillas
Animals can typically maximize their fitness by reproducing throughout adulthood. Yet, in a handful of species, females cease reproduction long before death, highlighting an apparent evolutionary paradox. We used over three decades of life-history and behavioral data to examine the prevalence of postreproductive lifespan in wild mountain gorillas ( Gorilla beringei beringei ). Almost one third of females in our study population (7/25) have been “postreproductive” according to a commonly used criterion and have lived more than a decade past their age of last reproduction, representing at least a fourth of their adult lifespan. Additionally, using conservative estimates of female ages, we found a significant post-reproductive representation (a common population-level measure of post-reproductive lifespan) equal to 0.10. Our results add to observations of postreproductive lifespan in chimpanzees and humans and thus, they represent a critical addition to our understanding of hominid life-history evolution.