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- Creator:
- Stockbridge, Randy B. and Christian B. Macdonald
- Description:
- This data set includes text files (.csv files) for the bioinformatic annotation of SMR genes found in a dataset of phylogenetically diverse bacterial genomes. Bioinformatic analysis includes genome mining to identify SMR genes, prediction of the functional transporter subtype, and prediction of the direction of insertion in the bacterial membrane. Research overview: This bioinformatic dataset was prepared for a review on the structures, functions, and occurrence of Small Multidrug Resistance (SMR) Transporters. This dataset includes bioinformatic annotation of SMR genes identified in bacterial genomes from the Joint Genome Institute’s curated set of ~1000 Genomic Encyclopedia of Bacteria and Archaea (GEBA) genomes. The file GEBA_SMR_annotation.csv provides NCBI identification information (genome, species and chromosome information, locus tag, translation) and bioinformatic predictions of the SMR subtype and membrane insertion direction for each gene identified in the GEBA genome set. The file GEBA_SMR_species_table.csv has a separate entry for species in the GEBA genome set, along with the bioinformatic prediction of SMR subtype and membrane insertion direction for each SMR gene identified in the genome of that species. Dataset was generated by Christian B. Macdonald and Randy B. Stockbridge (Department of Molecular, Cellular and Developmental Biology, University of Michigan, Ann Arbor, MI, 48019) Generation of this dataset was supported by National Institutes of Health grants R35-GM128768 to Randy B. Stockbridge. Use and access: This dataset is provided as a .csv file (comma separated values) and can be read using any text editor or spreadsheet software such as Microsoft Excel.
- Citation to related publication:
- Burata OE, Yeh TJ, Macdonald CB, Stockbridge RB. (2022). Still rocking in the structural era: a molecular overview of the Small Multidrug Resistance transporters. Journal of Biological Chemistry. In press.
- Discipline:
- Science
-
- Creator:
- Chung, Taewon , McClain, Taylor P. , Alonso-Mori, Roberto , Chollet, Matthieu , Deb, Aniruddha , Garcia-Esparza, Angel T. , Huang, Joel Ze En , Lamb, Ryan M. , Michocki, Lindsay B. , Reinhard, Marco , van Driel, Tim B. , Penner-Hahn, James E. , and Sension, Roseanne J.
- Description:
- UV-visible, X-ray absorption, and X-ray emission data used to characterize the dynamics of methyl cobalamin at low pH, so called "base off" configuration. Details of data collection and reduction are provided in the associated manuscript. Data files are all text files which contain tab-delimited columns of data corresponding to each figure in the manuscript
- Keyword:
- Ultrafast, X-ray, Transient absorption, cobalamin, vitamin B12, XAS, and XANES
- Citation to related publication:
- Chung, T., et al. (2024). "Ultrafast X-ray Absorption Spectroscopy Reveals Excited State Dynamics of B12 Coenzymes Controlled by the Axial Base". J. Phys. Chem. B. 2024, in press https://pubs.acs.org/doi/10.1021/acs.jpcb.3c07779
- Discipline:
- Science
-
- Creator:
- Xiantong Wang
- Description:
- Bursty bulk flows (BBFs) are identified as the fast earthward-propagating flows from magnetic reconnection in Earth's magnetotail. BBFs are related to particle energization process reported by satellite observations. For the first time, we use a novel numerical model that simulates kinetic physics directly in a global model. The energization of the electrons associated with BBF is demonstrated by the model. The electron velocity distribution functions (VDFs) extracted from multiple locations associated with BBF demonstrate good agreements with the observations. The energy-dependent electron pitch angle distribution at the leading part of the BBF can be explained by the enhancement of the local magnetic field.
- Discipline:
- Science
-
- Creator:
- Srodawa, Kristy, Cerda, Peter A, Davis Rabosky, Alison R, and Crowe-Riddell, Jenna M
- Description:
- Snake venom research has historically focused on front-fanged species (Viperidae and Elapidae), limiting our knowledge of venom evolution in rear-fanged snakes across their ecologically-diverse phylogeny. Three finger toxins (3FTxs) are a known neurotoxic component in the venoms of some rear-fanged snakes (Colubrinae, Colubridae), but it is unclear how prevalent 3FTxs are both in expression within venom glands and more broadly among colubrine species. Here, we used a transcriptomic approach to characterize the venom expression profiles of four species of colubrine snakes from Neotropics that were dominated by 3FTx expression (in the genera Chironius, Oxybelis, Rhinobothryum, and Spilotes) and reconstructed the gene trees of 3FTxs. Overall, our results highlight the importance of exploring the venoms of understudied species in reconstructing the full evolutionary history of toxins across the tree of life.
- Keyword:
- snake venom, neurotoxin, molecular evolution, gene families, and opisthoglyphous
- Citation to related publication:
- Srodawa, K., Cerda, P.A., Davis Rabosky, A.R., Crowe-Riddell, J.M. Evolution of Three Finger Toxin Genes in Neotropical Colubrine Snakes (Colubridae). Toxins 2023, 15(9), 523; https://doi.org/10.3390/toxins15090523
- Discipline:
- Science
-
- Creator:
- Zhang, Yingxiao MI
- Description:
- We developed a new model framework based on WRF-Chem, simulating primary biological aerosol particle emissions and their interaction with clouds. We have designed different sensitivity tests to evaluate the effects of pollen and sub-pollen particles (SPPs), respectively. Our results show that SPPs have a larger effect on cloud microphysics and precipitation than whole pollen grains.
- Keyword:
- Aerosol-cloud interactions, Primary biological aerosol particles, Ice nucleating particles, Microphyscis scheme, and Pollen
- Discipline:
- Science
-
- Creator:
- Sealey, Briana A., Larson, Joanna G., Westeen, Erin P., Sánchez-Paredes, Ciara M., Moore, Talia Y., and Davis Rabosky, Alison R.
- Description:
- In this study, we experimentally tested for the effects of four simulated predator cues on defensive displays in two species of South American calico snakes (genus Oxyrhopus). We found that juvenile snakes were both more likely to respond and to respond more strongly than adults and that displays were most common in response to tactile stimuli than to other treatments. However, we also found broad similarity across both simulated predator treatments and species in the components used in each snake’s defensive display, suggesting a high degree of stereotyping. This research suggests an important role for both ontogeny and intensity of predation risk in structuring variation in defensive behavior in Neotropical snakes and emphasizes the foundational importance of context dependence in conceptual frameworks for understanding predator-prey interactions. and *On January 4, 2024, “Supplementary_material.pdf” was replaced with an updated version that has slightly different versions of Figures S4 and S8 after an error in code was corrected. Within “HeatmapFigures.zip,” two code files, “IndividualHeatmaps_matrices.R” and “FigureS4_S8_averagedHeatmaps.R” were updated to correct the code error. Three additional files were added to both the “figures” and “matrices” folders within the subfolder “heatmaps.” These files represent the correlation matrices, by body part, and graphical representation of the matrices for one experimental trial that had previously been excluded due to the code error.
- Keyword:
- context-dependence, anti-predator behavior, Peruvian Amazon, ontogeny, coral snake mimicry, Colubridae
- Citation to related publication:
- Sealey, B.A.*, Larson, J.G.*, Westeen, E.P., Sanchez-Paredes, C.M., Moore, T.Y., Davis Rabosky, A.R. Body size and predator cues structure variation in defensive displays of Neotropical calico snakes (Oxyrhopus spp.). Ethology. In press. *Authors contributed equally
- Discipline:
- Science
-
- Creator:
- Gebarski, Benjamin B. and Becker, Udo
- Description:
- Files are uploaded as text or crystallographic information files (.cif), the standard text file format for representing crystallographic information. These files contain the results for cyclic voltammetry, x-ray absorption spectroscopy, and optimized molecular models for uranium-60 nanocluster (U60) fragments, UO2 complexes, and adsorbates.
- Keyword:
- uranium, U60, electrochemistry, computational, molecular model, and adsorption
- Citation to related publication:
- Electrochemical and computational analysis of the thermodynamics of oxidation/reduction reactions of uranyl peroxide clusters (U60), and the derivation of Pourbaix diagrams for structural and adsorbed species. In process.
- Discipline:
- Science
-
- Creator:
- Elvati, Paolo, Luyet, Chloe, Wang, Yichun, Liu, Changjiang, VanEpps, J. Scott, Kotov, Nicholas A., and Violi, Angela
- Description:
- Amyloid nanofibers are abundant in microorganisms and are integral components of many biofilms, serving various purposes, from virulent to structural. Nonetheless, the precise characterization of bacterial amyloid nanofibers has been elusive, with incomplete and contradicting results. The present work focuses on the molecular details and characteristics of PSMa1-derived functional amyloids present in Staphylococcus aureus biofilms, using a combination of computational and experimental techniques, to develop a model that can aid the design of compounds to control amyloid formation. Results from molecular dynamics simulations, guided and supported by spectroscopy and microscopy, show that PSMa1 amyloid nanofibers present a helical structure formed by two protofilaments, have an average diameter of about 12 nm, and adopt a left-handed helicity with a periodicity of approximately 72 nm. The chirality of the self-assembled nanofibers, an intrinsic geometric property of its constituent peptides, is central to determining the fibers' lateral growth.
- Keyword:
- molecular self-assembly, computational nanotechnology, nanobiotechnology, and structural properties
- Citation to related publication:
- Paolo Elvati, Chloe Luyet, Yichun Wang, Changjiang Liu, J. Scott VanEpps, Nicholas A. Kotov, and Angela Violi ACS Applied Nano Materials 2023 6 (8), 6594-6604 DOI: 10.1021/acsanm.3c00174
- Discipline:
- Engineering and Science
-
- Creator:
- Penner-Hahn, James, Sension, Roseanne, McClain, Taylor, Lamb, Ryan, Alonso-Mori, Roberto, Lima, Frederico, Ardana-Lamas, Fernando, Biednov, Mykola, Chollet, Matthieu, Chung, Taewon, Deb, Aniruddha, Dewan, Paul, Gee, Leland, Huang, Joel, Yifeng, Khakhulin, Dmitry, Li, Jianhao, Michocki, Lindsay, Miller, Nicholas, Otte, Florian, Uemura, Yohei, and van Driel, Tim
- Description:
- UV-visible, X-ray absorption, and X-ray emission data used to characterize the dynamics of aquo and hydroxo cobalamin. Details of data collection and reduction are provided in the associated manuscript. Data files are all text files which contain tab-delimited columns of data corresponding to each figure in the manuscript.
- Keyword:
- Ultrafast, X-ray, Transient absorption, cobalamin, vitamin B12, XAS, XES, and XANES
- Citation to related publication:
- Sension, R.J., et al. (2023). Watching Excited State Dynamics with Optical and X-ray Probes: The Excited State Dynamics of Aquocobalamin and Hydroxocobalamin. J. Am. Chem. Soc. in press. and https://doi.org/10.1021/jacs.3c04099
- Discipline:
- Science
-
- Creator:
- Wallace, Dylan M, Benyamini, Miri, Nason-Tomaszewski, Samuel R, Costello, Joseph T, Cubillos, Luis H, Mender, Matthew J, Temmar, Hisham, Willsey, Matthew S, Patil, Parag P, Chestek, Cynthia A, and Zacksenhouse, Miriam
- Description:
- This is data from Wallace, Benyamini et al., 2023, Journal of Neural Engineering. There are two sets of data included: 1. Neural features and error labels used to train error classifiers for each day used in the study 2. Trial data from an example experiment day (Monkey N, Day 6), with runs for offline calibration, online brain control, error monitoring, and error correction. The purpose of this study was to investigate the use of error signals in motor cortex to improve brain-machine interface (BMI) performance for control of two finger groups. All data is contained in .mat files, which can be opened using MATLAB or the Python SciPy library.
- Keyword:
- Brain-machine interface (BMI), Error detection, and Neural recording
- Citation to related publication:
- Wallace, D. M., Benyamini, M., Nason-Tomaszewski, S. R., Costello, J. T., Cubillos, L. H., Mender, M. J., Temmar, H., Willsey, M. S., Patil, P. G., Chestek, C. A., & Zacksenhouse, M. (2023). Error detection and correction in intracortical brain–machine interfaces controlling two finger groups. Journal of Neural Engineering, 20(4), 046037. https://doi.org/10.1088/1741-2552/acef95
- Discipline:
- Engineering, Science, and Health Sciences