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Displaying 326 - 350 of 3672

Graph Convolutional Neural Network Applied to the Prediction of Normal Boiling Point

February 4, 2022
Author(s)
Chen Qu, Anthony J. Kearsley, Barry I. Schneider, Walid Keyrouz, Thomas C. Allison
In this article, we describe training and validation of a machine learning model for the prediction of organic compound normal boiling points. Data are drawn from the experimental literature as captured in the NIST Thermodynamics Research Center (TRC)

Neutron vibrational spectroscopic evidence for short H???H contacts in the RNiInH1.4; 1.6 (R = Ce, La) metal hydride

February 1, 2022
Author(s)
Ryan Klein, Rafael Balderas-Xicohtencatl, Jan Petter Maehlen, Terrence J. Udovic, Craig Brown, Robert Delaplane, Yongqiang Cheng, Roman Denys, Anibal Ramirez Cuesta, Volodymyr Yartys
Intermetallic metal hydrides are critical materials for hydrogen storage applications, however, metal hydrides with greater storage capacities are still needed. Within metal hydrides, the volumetric storage capacities are limited by the number of hydrogen

Brominated nanoscale diamond enables room temperature and catalysis free functionalization chemistry

January 27, 2022
Author(s)
Cynthia Melendrez, Jorge Lopez-Rosas, Tsz Cheung, Camron Stokes, Sang-Jun Lee, Jan Vavra, Helena Raabova, Vaclav Vanek, Sami Sainio, Dennis Nordlund, W.Bertrand (Randy) Doriese, Galen O'Neil, Daniel Swetz, Joel Ullom, Kent Irwin, Peter Cigler, Polo Tran, Halim Muhammad, Virginia Altoe, Charles Titus, Jocelyn Valenzuela, Grace Jeanpierre, Abraham Wolcott
Bromination of diamond surfaces has not been explored and can potentially open new avenues for increased chemical reactivity. Aerobically oxidized high-pressure high-temperature nanoscale diamond (ND) is a widely used host for the nitrogen vacancy centers

Understanding the dynamics of physiological changes, protein expression, and PFAS in wildlife

January 15, 2022
Author(s)
Jacqueline Bangma, T.C. Guillette, Paige Bommarito, Carla Ng, Jessica Reiner, Andrew Lindstrom, Mark Strynar
Per- and polyfluoroalkyl substances (PFAS) accumulation and elimination in both wildlife and humans is largely attributed to PFAS interactions with proteins, including but not limited to organic anion transporters (OATs), fatty acid binding proteins (FABPs

CODATA Recommended Values of the Fundamental Physical Constants: 2018

January 10, 2022
Author(s)
Eite Tiesinga, Peter J. Mohr, David B. Newell, Barry N. Taylor
We report the 2018 self-consistent values of constants and conversion factors of physics and chemistry recommended by the Committee on Data of the International Science Council (CODATA). The recommended values can also be found at physics.nist.gov

Interfacial water asymmetry at ideal electrochemical interfaces

January 6, 2022
Author(s)
Abhishek Shandilya, Kathleen Schwarz, Ravishankar Sundararaman
Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently probe the overall charge response of the electrochemical double layer by

HDX-MS and MD simulations provide evidence for stabilization of the IgG1- FcgRIa (CD64a) immune complex through intermolecular glycoprotein bonds

December 8, 2021
Author(s)
Kyle Anderson, Kerry Scott, Christina Bergonzo, Ioannis Karageorgos, Elyssia Gallagher, Venkata Tayi, Michael Butler, Jeffrey W. Hudgens
Previous reports present different models for the stabilization of the Fc—FcγRI immune complex. Although accord exists on the importance of L235 in IgG1 and some hydrophobic contacts for complex stabilization, discord exists regarding the existence of
Displaying 326 - 350 of 3672
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