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Search Publications

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Displaying 1 - 25 of 1828

Assessing Composite Structure in Metal-Organic Framework-Polymer Mixed-Matrix Membranes

March 15, 2024
Avery Baumann, Peter Beaucage, Richard Vallery, David Gidley, Ryan Nieuwendaal, Chad R. Snyder, Jan Ilavsky, Fu Chen, Christopher Stafford, Christopher Soles
Metal-organic frameworks (MOFs) are renowned for their tunable structure, porosity, and internal chemistry with demonstrated applications in molecular separations, storage, and conversion. While they are widely usable, the powdery characteristics of MOF

Correlating Near-Infrared Spectra to Bulk Properties in Polyolefins

February 28, 2024
Bradley Sutliff, Shailja Goyal, Tyler Martin, Peter Beaucage, Debra Audus, Sara Orski
The industry standard for sorting plastic wastes is near-infrared (NIR) spectroscopy, which offers rapid and nondestructive identification of various plastics. However, NIR does not provide insights into the chain composition, conformation, and topology of

Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics

February 12, 2024
Tracey Schock, Jonathan Mosley, Chris Beecher, Warwick Dunn, Julia Kuligowski, Matthew Lewis, Georgios Theodoridis, Candice Ulmer, Dajana Vuckovic, Ian Wilson, Krista Zanetti
Background: Quality assurance (QA) and quality control (QC) practices are key tenets that facilitate study and data quality across all applications of untargeted metabolomics. Such important practices will strengthen this field and accelerate its success

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

January 25, 2024
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
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

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
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
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
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
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
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
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
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
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
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
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
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
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
Displaying 1 - 25 of 1828