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http://dx.doi.org/10.1186/s12998-021-00380-7 | DOI Listing |
J Chem Theory Comput
September 2025
Department of Chemistry, University of California, Berkeley, California 94720, United States.
We investigate the ability of Aufbau suppressed coupled cluster theory to act as a post-linear-response correction to widely used linear response methods for electronically excited states. We find that the theory is highly resilient to shortcomings in the underlying linear response method, with final results from less accurate starting points nearly as good as those from the best starting points. This pattern is especially stark in charge transfer states, where the approach converts starting points with multi-eV errors into post-linear-response results with errors on the order of 0.
View Article and Find Full Text PDFJ Med Internet Res
September 2025
Center for Healthy Minds and Department of Counseling Psychology, University of Wisconsin-Madison, Madison, WI, United States.
Background: Ecological momentary assessment (EMA) is increasingly being incorporated into intervention studies to acquire a more fine-grained and ecologically valid assessment of change. The added utility of including relatively burdensome EMA measures in a clinical trial hinges on several psychometric assumptions, including that these measure are (1) reliable, (2) related to but not redundant with conventional self-report measures (convergent and discriminant validity), (3) sensitive to intervention-related change, and (4) associated with a clinically relevant criterion of improvement (criterion validity) above conventional self-report measures (incremental validity).
Objective: This study aimed to evaluate the reliability, validity, and sensitivity to change of conventional self-report versus EMA measures of rumination improvement.
PLoS One
September 2025
School of Social Sciences and Global Studies, The Open University, Milton Keynes, United Kingdom.
Background: There is evidence that cerebral palsy (CP) could be linked to stigma and discrimination, however current evidence is limited to small qualitative studies. The goal of this co-designed survey was to elicit information on experiences of stigma and discrimination amongst a larger sample of adults in the UK and Ireland.
Methods: Quantitative questions about sources of stigma and qualitative questions designed to elicit information on experiences of stigma were shared via an online survey.
Proc Natl Acad Sci U S A
September 2025
Department of Integrative Biology, University of California, Berkeley, CA 94720-3140.
Microscale symbioses can be critical to ecosystem functions, but the mechanisms of these interactions in nature are often cryptic. Here, we use a combination of stable isotope imaging and tracing to reveal carbon (C) and nitrogen (N) exchanges among three symbiotic primary producers that fuel a salmon-bearing river food web. Bulk isotope analysis, nanoSIMS (secondary ion mass spectrometry) isotope imaging, and density centrifugation for quantitative stable isotope probing enabled quantification of organism-specific C- and N-fixation rates from the subcellular scale to the ecosystem.
View Article and Find Full Text PDFFront Mol Biosci
August 2025
Department of Environmental Science, University of Arizona, Tucson, AZ, United States.
Introduction: Peatlands store up to a third of global soil carbon, and in high latitudes their litter inputs are increasing and changing in composition under climate change. Although litter significantly influences peatland carbon and nutrient dynamics by changing the overall lability of peatland organic matter, the physicochemical mechanisms of this impact-and thus its full scope-remain poorly understood.
Methods: We applied multimodal metabolomics (UPLC-HRMS, H NMR) paired with C Stable Isotope-Assisted Metabolomics (SIAM) to track litter carbon and its potential priming effects on both existing soil organic matter and carbon gas emissions.