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Search Publications

NIST Authors in Bold

Displaying 1 - 25 of 1798

Monitoring Spectrometer Drift with Unsupervised Machine Learning

November 20, 2023
Author(s)
Benjamin Harding, Ziling Hu, Ashley Hiett, Frank Delaglio, Katherine Henzler- Wildman, Chad Rienstra
Solid-state NMR spectroscopy (SSNMR) is a powerful technique to probe structural and dynamic properties of molecules at an atomic level. Modern SSNMR methods employ multidimensional pulse sequences requiring data collection over a period of days to weeks

Recommendations for setting a criterion and assessing commutability of sample materials used in external quality assessment/proficiency testing schemes

November 2, 2023
Author(s)
Sverre Sandberg, Pernille Fauskanger, Jesper Johansen, Thomas Keller, Jeffrey Budd, Neil Greenberg, robert rej, MAURO PANTEGHINI, VINCENT DELATOUR, Ferruccio Ceriotti, Liesbet Deprez, Johanna Camara, Finlay MacKenzie, Alicia Lyle, Eline van der Hagen, Chris Burns, W. Greg Miller
It is important for external quality assessment materials (EQAMs) to be commutable with clinical samples; i.e., they should behave like clinical samples when measured using end-user clinical laboratory in vitro diagnostic medical devices (IVD-MDs). Using

Divalent ions as mediators of carbonylation in cardiac myosin binding protein C

November 1, 2023
Author(s)
Christina Bergonzo, Baikuntha Aryal, Ashutosh Rao
The dosing and efficacy of chemotherapeutic drugs can be limited by toxicity caused by off-pathway reactions. One hypothesis for how such toxicity arises is via metal-catalyzed oxidative damage of cardiac myosin binding protein C (cMyBP-C) found in cardiac

Effects of Glycans and Hinge on Dynamics in the IgG1 Fc

October 28, 2023
Author(s)
Christina Bergonzo, J. Todd Hoopes, Zvi Kelman, David Travis Gallagher
The crystallizable fragment (Fc) domain of immunoglobulin subclass IgG1 antibodies is engineered for a wide variety of pharmaceutical applications. Two important structural variables in Fc constructs are the hinge region connecting the Fc to the antigen

New Equation of State Constraints in the Critical Region

October 17, 2023
Author(s)
Ian Bell, Eric W. Lemmon
In this work, two classes of defects with multiparameter equations of state are investigated. In the first, it is shown that the critical point provided by equation of state developers often does not exactly meet the criticality conditions based on the

Activation loop plasticity and active site coupling in the MAP kinase, ERK2

October 6, 2023
Author(s)
Laurel Pegram, Demian Riccardi, NATALIE AHN
Previous studies of the protein kinase, ERK2, using NMR and hydrogen-exchange measurements have shown changes in dynamics accompanying its activation by phosphorylation. However, knowledge about the conformational motions involved is incomplete. Here, we

Target and Suspect Screening Integrated with Machine Learning to Discover Per- and Polyfluoroalkyl Substance Source Fingerprints

September 11, 2023
Author(s)
Nayantara Joseph, Trever Schwichtenberg, Dunping Cao, Gerrad Jones, Alix Rodowa, Joe Charbonnet, Christopher Higgins, Damian Helbling, Jennifer Field
This study elucidates per- and polyfluoroalkyl substance (PFAS) fingerprints for specific PFAS source types. Ninety-two samples were collected from aqueous film-forming foam impacted groundwater (AFFF-GW), landfill leachate, biosolids leachate, municipal

Quantifying the Effect of Guest Binding on Host Environment

August 29, 2023
Author(s)
Angela Stelson, Zack Fishman, Jacob Pawlik, Gosia Musial, Jim Booth, Chris Long, Kathleen Schwarz, Nate Orloff, Hugh Ryan, Angela Grommet, Jonathan Nitschke, Felix Rizzuto
The environment around a host-guest complex is defined by of intermolecular interactions between solvent molecules and counter ions. These interactions govern both the solubility of these complexes and the rates of reactions confined within them11. Such

National Institute of Standards and Technology Environmental Scan 2023: Societal and Technology Landscape to Inform Science and Technology Research

August 23, 2023
Author(s)
Ashley Boggs-Russell, Kerrianne Buchanan, David W. Griffith, Heather Evans, Dimitrios Meritis, Lisa Ng, Anna Sberegaeva, Michelle Stephens
The 2023 National Institute of Standards and Technology Environmental Scan provides an analysis of key external factors that could impact NIST and the fulfillment of its mission in coming years. The analyses were conducted through three separate lenses

Fabrication of Specimens for Atom Probe Tomography using a Combined Gallium and Neon Focused Ion Beam Milling Approach

August 16, 2023
Author(s)
Frances Allen, Paul Blanchard, David Pappas, Russell Lake, Deying Xia, John Notte, Ruopeng Zhang, Andrew Minor, Norman A. Sanford
We demonstrate a new focused ion beam sample preparation method for atom probe tomography. The key aspect of the new method is that we use a neon ion beam for the final tip shaping after conventional annulus milling using gallium ions. This dual-ion

Recommendations for Setting a Criterion for Assessing Commutability of Secondary Calibrator Certified Reference Materials

August 11, 2023
Author(s)
W. Greg Miller, Thomas Keller, Jeffrey Budd, Jesper Johansen, Mauro Panteghini, Neil Greenberg, Vincent Delatour, Ferruccio Ceriotti, Robert Rej, Johanna Camara, Liesbet Deprez, Finlay MacKenzie, Alicia Lyle, Eline van der Hagen, Chris Burns, Pernille Fauskanger, Sverre Sandberg
A secondary higher-order calibrator is required to be commutable with clinical samples to be suitable for use in the calibration hierarchy of an end-user clinical laboratory in vitro diagnostic medical device (IVD-MD). Commutability is a property of a

Operando photoelectron spectromicroscopy of nanodevices: Correlating the surface chemistry and transport in SnO2 nanowire chemiresistors

June 29, 2023
Author(s)
Andrei Kolmakov, Trey Diulus, Kurt D. Benkstein, Stephen Semancik, Majid Kazemian, Matteo Amati, Maya Kiskinova, Luca Gregoratti
With size reduction of active elements in microelectronics to tens of nanometers and below, the effect of surface and interface properties on overall device performance becomes crucial. High resolution spectroscopic and imaging techniques provide a

Detailed analysis of the synthesis and structure of MAX phase (Mo0.75V0.25)5AlC4 and its MXene (Mo0.75V0.25)5C4

June 27, 2023
Author(s)
Rose Snyder, Mikkel Juelsholt, Curran Kalha, Jason Holm, Elisabeth Mansfield, Tien-Lin Lee, Pardeep Thakur, Aysha Riaz, Benjamin Moss, Anna Regoutz, Christina Birkel
MAX phases with the general formula Mn+1AXn are layered carbides, nitrides and carbonitrides with varying stacking sequence of layers of M6X octahedra and the A-element depending on n. While "211" MAX phases (n = 1) are very common, MAX phases with higher

Reference Isotherms for Water Vapor Sorption on Nanoporous Carbon: Results of an Interlaboratory Study

May 26, 2023
Author(s)
Huong Giang Nguyen, Blaza Toman, Roger D. van Zee, Carsten Prinz, Matthias Thommes, Riaz Ahmad, David Kiska, Jamie Salinger, Ian Walton, Krista Walton, Darren Broom, Mike Benham, Humera Ansari, Ronny Pini, Camille Petit, Jurgen Adolphs, Andreas Schreiber, Toshihiro Shigeoka, Yuko Konishi, Kazuyuki Nakai, Matthias Henninger, Thomas Petrzik, Can Kececi, Vladimir Martis, Thomas Pasche, Enzo Mangano, Stefano Brandani
Displaying 1 - 25 of 1798