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Search Publications

NIST Authors in Bold

Displaying 5376 - 5400 of 74364

Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms

January 4, 2021
Author(s)
Kathleen Schwarz, Alex Maldonado, Tae Hoon Choi, Frank Eckert, Satoshi Hagiwara, Minoru Otani, Ravishankar Sundararaman, John Keith
Computational quantum chemistry provides fundamental chemical and physical insights into solvated reaction mechanisms across many areas of chemistry, especially in homogeneous and heterogeneous renewable energy catalysis. Such reactions may depend on

Structural Characterization and Modeling of a Respiratory Syncytial Virus Fusion Glycoprotein Nanoparticle Vaccine in Solution

January 4, 2021
Author(s)
Susan T. Krueger, Joseph E. Curtis, Daniel R. Scott, Alexander Grishaev, Greg Glenn, Gale Smith, Larry Ellingsworth, Oleg Borisov, Ernest Maynard
Globally, respiratory syncytial virus (RSV)is a major cause of sever lower respiratory tract infection in young children, older adults, and immune compromised populations, for which there are no licensed vaccines. The RSV fusion (F)/polysorbate 80 (PS80)

Biomonitoring of emerging DINCH metabolites in pregnant women in Charleston, SC: 2011-2014

January 1, 2021
Author(s)
Abby G. Wenzel, Jessica L. Reiner, Satomi Kohno, Bethany J. Wolf, John W. Brock, Lori Cruze, Roger B. Newman
Due to the mounting evidence that phthalates produce adverse endocrine effects in humans and wildlife, the use of other chemicals as replacements has increased. One of the most commonly encountered phthalate replacement is di(isononyl)cyclohexane-1,2

Complete collision data set for electrons scattering on molecular hydrogen and itsisotopologues: I. Fully vibrationally-resolved electronic excitation of H 2 (X 1 ? g + ).

January 1, 2021
Author(s)
Liam H. Scarlett, D Fursa, Mark C. Zammit, I Bray, Yuri Ralchenko, Kayla D. Davie
We present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of molecular hydrogen suitable for implementation in collisional-radiative models. The adiabatic-nuclei molecular convergent close-coupling

Complex by Design: Hydrotrope-Induced Micellar Growth in Deep Eutectic Solvents

January 1, 2021
Author(s)
Adrian Sanchez-Fernandez, Anna E. Leung, Elizabeth Kelley, Andrew J. Jackson
Here the microstructure of hydrotrope-surfactant assemblies in 1:2 choline chloride:glycerol (ChCl:Glyc) is presented. The effect of choline salicylate (ChSal) on the micellization of hexadecyltrimethylammonium chloride (C 16TAC) was investigated by

In situ characterization of ceramic cold sintering by small-angle scattering

January 1, 2021
Author(s)
Andrew J. Allen, Igor Levin, Russell Maier, Suzanne E. Witt, Fan Zhang, Ivan Kuzmenko
The first in situ characterization of the pore morphology evolution during the cold sintering process (CSP) is presented using small-angle X-ray scattering methods. For practical reasons, measurements have been made on a model system, KH2PO4 (KDP). The

Measurement of mass of aerosol particles

January 1, 2021
Author(s)
Kevin J. Coakley, Robert Hagwood, Kensei Ehara, Nobuhiko FUKUSHIMA, Kittichote WORACHOTEKAMJORN, Naoko TAJIMA, Hiromu SAKURAI
An aerosol particle mass analyzer (APM) which classifies aerosol particles according to their mass has been developed. Mass distributions of aerosol particles can be measured by the APM combined with a particle counting device. Particle mass that can be

Remote sensing using open-path dual-comb spectroscopy

January 1, 2021
Author(s)
Kevin Cossel, Eleanor M. Waxman, Esther Baumann, Fabrizio Giorgetta, Brian Washburn, Caroline Alden, Sean Coburn
Open-path dual-comb spectroscopy (DCS) is an emerging technique for long open-path measurements across km-scale paths. It provides both broad spectral coverage over hundreds of wavenumbers with high spectral resolution and negligible instrument lineshape

Structural resolution and mechanistic insight into hydrogen adsorption in flexible ZIF-7

January 1, 2021
Author(s)
Ryan Klein, Sarah Shulda, Philip Parilla, Pierre Le Maqueres, Rachelle Richardson, William Morris, Craig Brown, C. Michael McGuirk
Flexible metal–organic frameworks offer a route towards high useable hydrogen storage capacities with minimal swings in pressure and temperature via step-shaped adsorption and desorption profiles. Yet, the understanding of hydrogen-induced flexibility in

CHARACTERIZATION OF LASER DOPPLER VIBROMETERS USING ACOUSTO-OPTIC MODULATORS

December 31, 2020
Author(s)
Michael Gaitan, Jon C. Geist, Benjamin J. Reschovsky, Akobuije Chijioke
We report on a new approach to characterize the performance of a laser Doppler vibrometer (LDV). The method uses two acousto-optic modulators (AOMs) to frequency shift the light from an LDV by a known quantity to create a synthetic velocity shift that is

Fast Methods for Finding Multiple Effective Influencers in Real Networks

December 31, 2020
Author(s)
Fern Y. Hunt, Roldan Pozo
We present scalable first hitting time methods for finding a collection of nodes that enables the fastest time for the spread of consensus in a network. That is, given a graph G = (V,E) and a natural number k, these methods find k vertices in G that

Identifying risk factors for levels of perfluoroalkyl substances in the placenta in a high-risk pregnancy cohort in North Carolina

December 31, 2020
Author(s)
Jacqueline T. Bangma, Lauren A. Eaves, Kirsi Oldenburg, Jessica L. Reiner, Tracy Manuck, Rebecca C. Fry
Prenatal exposure to perfluoroalkyl substances (PFAS), a ubiquitous class of chemicals, is associated with adverse outcomes such as preeclampsia, low infant birth weight and later-life adiposity. The objectives of this study were to examine PFAS levels in

Microstructure Homogenization of Concrete Used in Nuclear Power Plants

December 31, 2020
Author(s)
Edward Garboczi, Christa Torrence, Zachary Grasley, Aishwarya Baranikumar, William Lawrimore
Nearly all nuclear power plants in the United States are operating past their intended lifetimes or are requesting lifetime extensions. Therefore, understanding changes to the concrete containment structure over time is crucial to evaluate the structure's

Ra-224 activity, half-life, and 241 keV gamma ray absolute emission intensity: a NIST-NPL bilateral comparison

December 31, 2020
Author(s)
Denis E. Bergeron, Sean Collins, Leticia Pibida, Jeffrey T. Cessna, Ryan P. Fitzgerald, Brian E. Zimmerman, Peter Ivanov, John Keightley, Elisa Napoli
The national metrology institutes for the United Kingdom and the United States have compared activity standards for 224Ra, an -particle emitter of interest as the basis for therapeutic radiopharmaceuticals. Solutions of 224RaCl2 were assayed by absolute

Relationship between the Pacific Decadal Oscillation (PDO) and persistent organic pollutants in sympatric Alaskan seabird (Uria aalge and U. lomvia) eggs between 1999 and 2010

December 31, 2020
Author(s)
Vrinda Kalia, Stacy Schuur, Keith A. Hobson, Howard H. Chang, Lance A. Waller, Steven Hare, Matthew O. Gribble
Although climate change occurs alongside other anthropogenic ecosystem impacts, little is known about how sea-surface temperature variability influences the ecotoxicology of persistent organic pollutants (POPs). We analyzed POP contaminant levels, and

Ruddlesden-Popper-Phase Hybrid Halide Perovskite/Small-Molecule Organic Blend Memory Transistors

December 31, 2020
Author(s)
Murali Gedda, Emre Yengel, Hendrik Faber, Fabian Paulus, Joshua Kreb, Ming Chun Tang, Siyuan Zhang, Christina A. Hacker, Prashant Kumar, Dipti R. Naphade, Yana Vaynzof, George Volonakis, Feliciano Giustino, Thomas D. Anthopoulos
Controlling the morphology of metal halide perovskite layers during processing is critical for the reliable manufacturing of optoelectronic devices. Here we report on a strategy to control the microstructure of solution-processed layered Ruddlesden-Popper

The interactive effect of heat and mass transport on water condensation in the gas diffusion layer of a proton exchange membrane fuel cell

December 31, 2020
Author(s)
Po-Ya A. Chuang, Md A. Rahman, Felipe Mojica, Daniel S. Hussey, David L. Jacobson, Jacob LaManna
Despite recent advancement in fuel cell technology, significant challenges remain in achieving high power density operation to meet the stringent targets of performance, durability and cost. This is due to the lack of fundamental understanding in
Displaying 5376 - 5400 of 74364