Showing 91 - 105 of 19925
Journal Article
Inorganic Chemistry, vol. 61, iss. 1, pp. 287-294, 2021
Authors
Darren M. Driscoll, Richard C. Shiery, Mahalingam Balasubramanian, John L. Fulton, David C. Cantu

LIQUID Software Overview LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification...

Journal Article
Proceedings of the National Academy of Sciences, vol. 119, iss. 38, 2022
Authors
Heida L. Diefenderfer, Larry D. McKinney, Walter R. Boynton, Kenneth L. Heck, Barbara A. Kleiss, Deepak R. Mishra, Holly Greening, Albert A. George, et al.

We present a dataset of structural relaxations of bulk ternary transition metal dichalcogenides (TMDs) computed via plane-wave density functional theory (DFT). We examined combinations of up to two chalcogenides with seven transition metals from groups 4-6 in octahedral (1T) or trigonal prismatic...

Journal Article
Scientific Reports, vol. 12, iss. 1, 2022
Authors
Danielle E. M. Ulrich, Chaevien S. Clendinen, Franklin Alongi, Rebecca C. Mueller, Rosalie K. Chu, Jason Toyoda, La Verne Gallegos-Graves, Hannah M. Goemann, et al.

Model Soil Consortium 2 (MSC-2) Bacterial Isolate Genomes Model Soil Consortium 2 (MSC-2) bacterial isolate genome collections are derived from the soil consortium "MSC-1" multi-species cultured isolate genome collections from a previously reported WA-IsoC_MSC1.1.0 collection of a naturally evolved...

Journal Article
Journal of Advances in Modeling Earth Systems, vol. 14, iss. 8, 2022
Authors
Noémi Sarkadi, Lulin Xue, Wojciech W. Grabowski, Zachary J. Lebo, Hugh Morrison, Bethan White, Jiwen Fan, Jimy Dudhia, et al.

16s data from MSC-2 growth 3 fastq of 16s amplicon data of MSC2 1 csv file of raw ASV abundances for MSC2

Metatranscriptomic data from MSC-2 12 fastq files (6 forward read, 6 reverse read) describing transcriptomic response of MSC-2 during chitin growth. 1 csv file showing normalized gene expression values

Journal Article
Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, vol. 1869, iss. 9, pp. 140683, 2021
Authors
Uchenna Emechebe, David Giraud, Azzdine Y. Ammi, Kristin L. Scott, Jon M. Jacobs, Jason E. McDermott, Igor V. Dykan, Nabil J. Alkayed, et al.
Journal Article
Food Policy, vol. 111, pp. 102304, 2022
Authors
Davide Bazzana, Jeremy Foltz, Ying Zhang

Structures of putative minima and low-energy networks for water clusters of sizes n = 3–30 as described in the manuscript by Avijit Rakshit and Pradipta Bandyopadhyay, Joseph P. Heindel and Sotiris S. Xantheas “Atlas of putative minima and low-lying energy networks of water clusters n=3-25”, Journal...

Journal Article
Nature Microbiology, vol. 7, iss. 9, pp. 1419-1430, 2022
Authors
Amelia R. Nelson, Adrienne B. Narrowe, Charles C. Rhoades, Timothy S. Fegel, Rebecca A. Daly, Holly K. Roth, Rosalie K. Chu, Kaela K. Amundson, et al.

Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and the universal solvation properties of water. We present a set of challenge problems for preserving intermolecular...

Cu-Ni bilayers either without defects (pristine) or with a single vacancy in the nickel layer at the interface (1-Ni-1), in the copper layer at the interface (1-Cu-1), in the central nickel layer (1-Ni-3), or in the central copper layer (1-Cu-3) were relaxed under the application of shear in the...