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Displaying 26 - 50 of 1856

Certification of Standard Reference Material(R) 2693a Bituminous Coal (Nominal Mass Fraction 0.5 % Sulfur)

January 25, 2024
Author(s)
Thomas W. Vetter, Colleen E. Bryan Sallee, Brian Lang, Anthony F. Marlow, Jennifer Ness, Rick L. Paul, Adam L. Pintar, Bruce Scruggs, Nicholas Sharp, Maria Isabel Vega Martinez, John Sieber
Standard Reference Material (SRM) 2693a Bituminous Coal (Nominal Mass Fraction 0.5 % Sulfur) is intended for use in the evaluation of techniques employed in the determination of sulfur, mercury, chlorine, and ash in coal and materials of a similar matrix

Per- and Polyfluoroalkyl Substances in Firefighter Turnout Gear Textiles Exposed to Abrasion, Elevated Temperature, Laundering, or Weathering

January 16, 2024
Author(s)
Andrew Maizel, Andre Thompson, Meghanne Tighe, Samuel Escobar Veras, Alix Rodowa, Ryan Falkenstein-Smith, Bruce A. Benner Jr., Kathleen Hoffman, Michelle K. Donnelly, Olivia Hernandez, Nadine Wetzler, Trung Ngu, Jessica Reiner, Benjamin Place, John Kucklick, Kate Rimmer, Rick D. Davis
Textiles used in the construction of structural firefighter turnout gear jackets and pants have been found to contain per- and polyfluoroalkyl substances (PFAS) as well as fluoropolymer membranes and treatments containing fluorinated polymers. Additionally

SHINERS Study of Chloride Order-Disorder Phase Transition and Solvation of Cu(100)

January 3, 2024
Author(s)
Thomas P. Moffat, David Raciti, Angela R. Hight Walker, Eric J. Cockayne, John Vinson, Kathleen Schwarz
Shell-isolated Nanoparticle Enhance Raman Spectroscopy (SHINERS) and Density Functional Theory (DFT) are used to probe Cl- adsorption and the order-disorder phase transition associated with the c(2×2) Cl- adlayer on Cu(100) in acid media. A two-component 

Recommendations from the Ocean Carbonate System Intercomparison Forum: Quantifying and reducing uncertainties in the calculations of carbonate system equilibrium in the oceans

December 14, 2023
Author(s)
Brendan Carter, Jonathan Sharp, Andrew Dickson, Marta Alvarez, Michael Fong, Maribel Garcia-Ibanez, Ryan Woosley, Takeshita Yuichiro, Leticia Barbero, Robert Byrne, Wei-Jun Cai, Melissa Chierici, Simon Clegg, Regina Easley, Andrea Fassbender, Kalla Fleger, Xinyu Li, Macarena Martin-Mayor, Katelyn Schockman, Aleck Wang Zhaohui
The ocean carbonate system is critical to monitor because it plays a major role in regulating Earth's climate and marine ecosystems. It is monitored using a variety of measurements, and it is commonly understood that all major components of the seawater

Best practices in NMR metabolomics: Current state

December 12, 2023
Author(s)
Tracey Schock, Amanda Bayless, Goncalo Gouveia, Robert Powers, Valerie Copie, John Cort, Hamid R. Eghbalnia, Wimal Pathmasiri, David S Wishart, Erik Andersson, Robert Brua, Leo Cheng, Chaevien Clendinen, Darcy Cochran, Alexandra Crook, Michah Jeppesen, Amith Maroli, Matthew Merritt, Heidi Roth, Isin Sakallioglu, Saurav Sarma, Lloyd Sumner, Panteleimon Takis, Mario Uchimiya
A literature survey was conducted to identify current practices used by NMR metabolomics investigators. A total of 463 papers from 2020 and 80 papers from 2010 were selected from PubMed. The papers were manually analyzed by a team of investigators to

An Improved Sample Preparation Method for Protein and Peptide Identification from Human Hair

November 27, 2023
Author(s)
Zheng Zhang, William E. Wallace, Guanghui Wang, Meghan Burke Harris, Yi Liu, Sergey Sheetlin, Stephen E. Stein
A fast and sensitive Direct Extraction (DE) method developed in our group can efficiently extract proteins in 30 min from a 5 cm-long hair strand. Previously we coupled DE to downstream analysis using gel electrophoresis followed by in-gel digestion, which

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

Exploiting redundancy in large materials datasets for efficient machine learning with less data

November 10, 2023
Author(s)
Kamal Choudhary, Brian DeCost, Kangming Li, Daniel "Persaud ", Jason Hattrick-Simpers, Michael Greenwood
Extensive efforts to gather materials data have largely overlooked potential data redundancy. In this study, we present evidence of a significant degree of redundancy across multiple large datasets for various material properties, by revealing that up to

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

High-Pressure Vapor-Liquid Equilibrium Measurements of Methane + Water Mixtures by Nuclear Magnetic Resonance Spectroscopy

October 31, 2023
Author(s)
Samantha Miller, Chris Suiter, Mark O. McLinden, Jason A. Widegren, Nancy Levinger, Bret Windom, Michael Sartini
Accurate vapor-liquid equilibrium (VLE) data are required to predict the condensation of low-volatility components in natural gas pipelines. Here we apply 1H nuclear magnetic resonance (NMR) spectroscopy to measure the VLE of methane + water mixtures at

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

The persistence of smoke VOCs indoors: partitioning, surface cleaning, and air cleaning in a smoke-contaminated house

October 13, 2023
Author(s)
Jienan Li, Michael F. Link, Shubhrangshu Pandit, Marc Webb, Cholaphan Deeleepojananan, Kathryn Mayer, Lauren Garofalo, Katelyn Rediger, Dustin Poppendieck, Stephen Zimmerman, Marina Vance, Vicki Grassian, Glenn Morrison, Barbara Turpin, Delphine Farmer
Wildfires are increasing in frequency, raising concerns that smoke can permeate indoor environments and expose people to chemical air contaminants. To study smoke transformations in indoor environments and evaluate mitigation strategies, we added smoke to

Mechanical Ventilation in a Residential Building Brings Outdoor NOx Indoors with Limited Implications for VOC Oxidation from NO3 Radicals

October 10, 2023
Author(s)
Michael F. Link, Jienan Li, Jenna Ditto, Han Huynh, Jie Yu, Stephen Zimmerman, Andrew Shore, Katelyn Rediger, Jonathan Abbatt, Lauren Garofalo, Delphine Farmer, Dustin Poppendieck
Energy-efficient residential building standards require the use of mechanical ventilation systems that replace indoor air with air from the outdoors. Transient outdoor pollution events can be transported indoors via the mechanical ventilation system, and

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
Displaying 26 - 50 of 1856