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Articles 1 - 3 of 3
Full-Text Articles in Physical Sciences and Mathematics
Landscape-Scale Differences Among Cities Alter Common Species’ Responses To Urbanization, Mason Fidino, Travis Gallo, Elizabeth W. Lehrer, Maureen H. Murray, Cria Kay, Heather A. Sander, Brandon Macdougall, Carmen M. Salsbury, Travis J. Ryan, Julia L. Angstmann, J. Amy Belaire, Barbara Dugelby, Chris Schell, Theodore Stankowich, Max Amaya, David Drake, Sheryl H. Hursh, Adam A. Ahlers, Jacque Williamson, Laurel M. Hartley, Amanda J. Zellmer, Kelly Simon
Landscape-Scale Differences Among Cities Alter Common Species’ Responses To Urbanization, Mason Fidino, Travis Gallo, Elizabeth W. Lehrer, Maureen H. Murray, Cria Kay, Heather A. Sander, Brandon Macdougall, Carmen M. Salsbury, Travis J. Ryan, Julia L. Angstmann, J. Amy Belaire, Barbara Dugelby, Chris Schell, Theodore Stankowich, Max Amaya, David Drake, Sheryl H. Hursh, Adam A. Ahlers, Jacque Williamson, Laurel M. Hartley, Amanda J. Zellmer, Kelly Simon
Scholarship and Professional Work - LAS
Understanding how biodiversity responds to urbanization is challenging, due in part to the single-city focus of most urban ecological research. Here, we delineate continent-scale patterns in urban species assemblages by leveraging data from a multi-city camera trap survey and quantify how differences in greenspace availability and average housing density among 10 North American cities relate to the distribution of eight widespread North American mammals. To do so, we deployed camera traps at 569 sites across these ten cities between 18 June and 14 August. Most data came from 2017, though some cities contributed 2016 or 2018 data if it was …
Analytic Gradients For State-Averaged Multiconfiguration Pair-Density Functional Theory, Thais R. Scott, Matthew R. Hermes, Andrew M. Sand, Meagan S. Oakley, Donald G. Truhlar, Laura Gagliardi
Analytic Gradients For State-Averaged Multiconfiguration Pair-Density Functional Theory, Thais R. Scott, Matthew R. Hermes, Andrew M. Sand, Meagan S. Oakley, Donald G. Truhlar, Laura Gagliardi
Scholarship and Professional Work - LAS
Analytic gradients are important for efficient calculations of stationary points on potential energy surfaces, for interpreting spectroscopic observations, and for efficient direct dynamics simulations. For excited electronic states, as are involved in UV–Vis spectroscopy and photochemistry, analytic gradients are readily available and often affordable for calculations using a state-averaged complete active space self-consistent-field (SA-CASSCF) wave function. However, in most cases, a post-SA-CASSCF step is necessary for quantitative accuracy, and such calculations are often too expensive if carried out by perturbation theory or configuration interaction. In this work, we present the analytic gradients for multiconfiguration pair-density functional theory based on SA-CASSCF …
Comparative Analysis Of The Human Serine Hydrolase Ovca2 To The Model Serine Hydrolase Homolog Fsh1 From S. Cerevisiae, Jessica S. Bun, Michael D. Slack, Daniel E. Schemenauer, R. Jeremy Johnson
Comparative Analysis Of The Human Serine Hydrolase Ovca2 To The Model Serine Hydrolase Homolog Fsh1 From S. Cerevisiae, Jessica S. Bun, Michael D. Slack, Daniel E. Schemenauer, R. Jeremy Johnson
Scholarship and Professional Work - LAS
Over 100 metabolic serine hydrolases are present in humans with confirmed functions in metabolism, immune response, and neurotransmission. Among potentially clinically relevant but uncharacterized human serine hydrolases is OVCA2, a serine hydrolase that has been linked with a variety of cancer-related processes. Herein, we developed a heterologous expression system for OVCA2 and determined the comprehensive substrate specificity of OVCA2 against two ester substrate libraries. Based on this analysis, OVCA2 was confirmed as a serine hydrolase with a strong preference for long-chain alkyl ester substrates (>10-carbons) and high selectivity against a variety of short, branched, and substituted esters. Substitutional analysis …