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Chemistry

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Displaying 1 - 25 of 3670

Description of the electronic structure of oxyhemoglobin using Fe L-edge X-ray absorption spectroscopy

June 11, 2025
Author(s)
Augustin Braun, Charles Titus, Michael Baker, Max Waters, James Yan, Sang-Jun Lee, Dennis Nordlund, William Doriese, Galen O'Neil, Daniel Schmidt, Daniel Swetz, Joel Ullom, Kent Irwin, Edward Solomon
The electronic structure of oxyhemoglobin (oxyHb), the O2-bound form of the oxygen carrier, has been controversial since the discovery of its diamagnetism in 1936. This study uses partial fluorescence yield Fe L-edge X-ray absorption spectroscopy (XAS) in

Uranium Particle Age Dating, Aggregation, and Model Age Best Estimators

June 9, 2025
Author(s)
Evan Groopman, Todd Williamson, Timothy Pope, Michael Bronikowski, Spencer M. Scott, Matthew Wellons
We present important aspects of uranium particle age dating by Large-Geometry Secondary Ion Mass Spectrometry (LG-SIMS) that can introduce bias and increase model age uncertainties, especially for small, young, and/or low-enriched particles. This metrology

Atomic layer deposition of Al2O3 to Ti-6Al-4V feedstock improves oxidation resistance and tensile strength in additively manufactured parts

April 30, 2025
Author(s)
Nicholas Derimow, Joseph Gauspohl, Alec Saville, Jake Benzing, Elisabeth Mansfield, Christopher Gump, Nikolas Hrabe
With the ever-increasing research and development into additive manufacturing (AM) via laser powder bed fusion (PBF-L) of Ti-6Al-4V alloy, there has been numerous efforts to introduce different coatings onto the metal powder feedstock in order to achieve

Manipulation of meniscus rise for in situ multiphase nuclear magnetic resonance spectroscopy

April 8, 2025
Author(s)
Veruska Malave, Newell Moser, Edward Garboczi, Mark McLinden, Jason Widegren, Christopher Suiter
Our earlier work demonstrated that nuclear magnetic resonance (NMR) spectroscopy is a viable technique for in situ analysis of vapor–liquid equilibria (VLE) of fluid mixtures and that inserting a capillary into the NMR sample tube allows the simultaneous

Suspect Screening of Per- and Polyfluoroalkyl Substances in New Firefighter Turnout Gear Textiles

March 20, 2025
Author(s)
Andrew Maizel, Andre Thompson, Benjamin Place, Alix Rodowa, Jessica Reiner, Audrey Tombaugh, Halen Solomon, Brittany Stinger, Michelle Donnelly, Rick Davis
Firefighter turnout gear provides protection from exposure to flame, heat, and liquids, but has also been found to contain numerous per- and polyfluoroalkyl substances (PFAS). Previous examinations of PFAS in firefighter turnout gear have predominantly

Certification of Standard Reference Material(R) 965c Glucose in Frozen Human Serum

March 13, 2025
Author(s)
Amanda Bayless, William Davis, Elena Wood, Abraham Kuri Cruz, Johanna Camara, Blaza Toman, Komal Dahya, Katherine Earl, Chui Tse, Uliana Danilenko, Hubert Vesper
Standard Reference Material (SRM) 965c Glucose in Frozen Human Serum is intended for use in validating methods for the determination of glucose in human serum and plasma. A unit of SRM 965c consists of three ampoules each of four materials: Level 1, Level

Product ion distributions using H3O+ proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS): mechanisms, transmission effects, and instrument-to-instrument variability

February 27, 2025
Author(s)
Michael Link, Megan Claflin, Christina Cecelski, Ayomide Akande, Delany Kilgour, Paul Heine, Matthew Coggon, Chelsea Stockwell, Andrew Jensen, Jie Yu, Han Huyhn, Jenna Ditto, Carnsten Warneke, William Dresser, Keighan Gemmell, Spiro Jorga, Rileigh Robertson, Joost de Gouw, Timothy Bertram, Jonathan Abbatt, Nadine Borduas-Dedekind, Dustin Poppendieck
Proton-transfer-reaction mass spectrometry (PTR-MS) using hydronium ion (H3O+) ionization is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. H3O+ ionization, as well as the associated chemistry in an ion

A bilateral comparison of 227Th activity standards between NPL and NIST

February 3, 2025
Author(s)
Andrew Fenwick, Denis Bergeron, Brittany Broder, Emma Bendall, Jeffrey Cessna, Sean Collins, Leticia Pibida, Natasha Ramirez, Elisa Napoli
The National Physical Laboratory (United Kingdom) and the National Institute of Standards and Technology (United States) each determined the massic activity and effective separation time of a common solution of 227Th. Measurements at both laboratories were

Commutability Assessment of New Standard Reference Materials (SRMs) for Determining Serum Total 25-Hydroxyvitamin D using Ligand Binding and Liquid Chromatography - Tandem Mass Spectrometry (LC-MS/MS) Assays

January 10, 2025
Author(s)
Stephen Wise, Etienne Cavalier, Pierre LUKAS, Stephanie Peeters, caroline Le Goff, Laura Briggs, Emma Williams, Ekaterina Mineva, Christine Pfeiffer, Hubert Vesper, Christian Popp, Christian Beckert, Jan Schultess, Kevin Wang, Carole Tourneur, Camille Pease, Dominik Osterritter, Ralf Fischer, Ben Saida, Chao Dou, Satoshi Kojima, Hope Weiler, Agnieszka Bielecki, Heather Pham, Alexandra Bennett, Shawn You, Amit Ghoshal, Chistian Vogl, James Freeman, Neil Parker, Samantha Pagliaro, Jennifer Cheek, Jie Li, Hisao Tsukamoto, Karen Galvin, Kevin Cashman, Hsuan-Chieh Liao, Andrew Norbert Hoofnagle, Jeffery Budd, Adam Kuszak, Ashley Boggs-Russell, Carolyn Burdette, Grace Hahm, Federica Nalin, Johanna Camara
Commutability is where the measurement response for a reference material (RM) is the same as for an individual patient sample with the same concentration of analyte measured using two or more measurement systems. Assessment of commutability is essential

Recommendations for assessing commutability of a replacement batch of a secondary calibrator certified reference material

December 16, 2024
Author(s)
Liesbet Deprez, Jesper Johansen, Thomas Keller, Jeffrey Budd, Neil Greenberg, Cas Weykamp, Sverre Sandberg, MAURO PANTEGHINI, Ferruccio Ceriotti, Elizabeth Barczak, Robert Rej, Pernille Kjeilen Fauskanger, Finlay MacKenzie, Johanna Camara, Alicia Lyle, W. Greg Miller, VINCENT DELATOUR
Commutable secondary certified reference materials (CRMs) play an essential role in the calibration hierarchy of many in-vitro diagnostic measurement procedures used in the medical laboratory. Therefore, sustainable availability of these CRMs is crucial to

Per- and Polyfluoroalkyl Substances in Textiles Present in Firefighter Gloves, Hoods, and Wildland Gear

December 13, 2024
Author(s)
Andre Thompson, Andrew Maizel, Meghanne Tighe, Samuel Escobar Veras, Alix Rodowa, Bruce Benner, Audrey Tombaugh, Jessica Reiner, Michelle Donnelly, Ryan Falkenstein-Smith, John Kucklick, Catherine Rimmer, Rick Davis
Firefighter turnout gear has been found to contain per- and polyfluoroalkyl substances (PFAS) and is a potential source of PFAS exposure to firefighters. However, previous evaluations of firefighter exposure to PFAS through personal protective gear has

temo: teqp-based model optimization

December 10, 2024
Author(s)
Ian Bell
The temo library is a set of building blocks that facilitate the automation of fitting models to experimental data for thermodynamic properties. The library is written in Python to enable broad re‐use and is based upon the suite of thermodynamic equations

Surface photooxidation of polypropylene-based photovoltaic backsheets: A comprehensive spectroscopic investigation

December 8, 2024
Author(s)
Karissa Jensen, Ashlee Aiello, Stefan Mitterhofer, Chiara Barretta, Gernot Oreski, Christopher Stafford, Xiaohong Gu
The prospect of cost reduction, enhanced performance, and improved sustainability has been driving innovation in the development of new backsheet materials for photovoltaic (PV) modules in recent years. Among the materials of interest, polypropylene (PP)
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