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- Creator:
- Lee, Shih Kuang, Tsai, Sun Ting, and Glotzer, Sharon C.
- Description:
- The trajectory data and codes were generated for our work "Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation" (amidst peer review process). The data sets contain trajectory data in GSD file format for 7 test systems, including cubic structures, two-dimensional and three-dimensional patchy particle shape systems, hexagonal bipyramids with two aspect ratios, and truncated shapes with two degrees of truncation. Besides, the corresponding Python code and Jupyter notebook used to perform data augmentation, MLP classifier training, and MLP classifier testing are included.
- Keyword:
- Machine Learning, Colloids Self-Assembly, Crystallization, and Order Parameter
- Citation to related publication:
- https://doi.org/10.48550/arXiv.2312.11822
- Discipline:
- Other, Science, and Engineering
-
- 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:
- 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:
- Andres Gonzalez and Maria Natalia Umaña
- Description:
- This dataset is part of a research project that aims to study how functional traits shape species ecological strategies at the seedling stage in four tropical forests in Colombia. Nine traits related to storage (i.e., axial, radial and total parenchyma fractions), mechanics (i.e., wood density, fiber fractions and wall thickness) and hydraulics (i.e., vessel lumen diameter, vessel fractions, and pit size) were measured.
- Keyword:
- seedlings, wood anatomy, and tropical dry forests
- 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:
- 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
-
- Creator:
- Sun, Hu, Ren, Jiaen, Chen, Yang, Zou, Shasha, Chang, Yurui, Wang, Zihan, and Coster, Anthea
- Description:
- Our research focuses on providing a fully-imputed map of the worldwide total electron content with high resolution and spatial-temporal smoothness. We fill in the missing values of the original Madrigal TEC maps via estimating the latent feature of each latitude and local time along the 2-D grid and give initial guess of the missing regions based on pre-computed spherical harmonics map. The resulting TEC map has high imputation accuracy and the ease of reproducing. All data are in HDF5 format and are easy to read using the h5py package in Python. The TEC map is grouped in folders based on years and each file contains a single-day data of 5-min cadence. Each individual TEC map is of size 181*361. and WARNING: 2023-12-01 the data file for 2019-Jan-03 has badly fitted values. Please avoid using it. All other days' files are ready to use.
- Keyword:
- Total Electron Content, Matrix Completion, VISTA, Spherical Harmonics, and Spatial-Temporal Smoothing
- Citation to related publication:
- Sun, H., Hua, Z., Ren, J., Zou, S., Sun, Y., & Chen, Y. (2022). Matrix completion methods for the total electron content video reconstruction. The Annals of Applied Statistics, 16(3), 1333-1358., Sun, H., Chen, Y., Zou, S., Ren, J., Chang, Y., Wang, Z., & Coster, A. (2023). Complete Global Total Electron Content Map Dataset based on a Video Imputation Algorithm VISTA. Scientific Data, in press., and Zou, S., Ren, J., Wang, Z., Sun, H., & Chen, Y. (2021). Impact of storm-enhanced density (SED) on ion upflow fluxes during geomagnetic storm. Frontiers in Astronomy and Space Sciences, 8, 746429.
- Discipline:
- Science and Engineering