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Chemistry

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Displaying 76 - 100 of 1924

Ozone generation and chemistry from 222 nm germicidal ultraviolet light in a fragrant restroom

May 20, 2024
Author(s)
Michael F. Link, Rileigh Robertson, Andrew Shore, Behrang Hamadani, Christina Cecelski, Dustin Poppendieck
Devices using 222 nm germicidal ultraviolet light (GUV222) have been marketed to reduce virus transmission indoors with low risk of occupant harm from direct UV exposure. GUV222 generates ozone, an indoor air pollutant and oxidant, under constrained

Thermoreversible gels of hollow silica nanorod dispersions

May 1, 2024
Author(s)
Haesoo Lee, KHUSHBOO SUMAN, David Moglia, Ryan Murphy, Norman Wagner
Colloidal suspensions of anisotropic particles are ubiquitous in particle-based industries. Consequently, there is a need to quantify the effects of particle shape on equilibrium phases and kinetic state transitions, particularly at lower aspect ratios (L

Spatial Variation in Mercury Accumulation in Bottlenose Dolphins (Tursiops spp.) in Southeastern U.S.A.

April 30, 2024
Author(s)
Mackenzie Griffen, Colleen E. Bryan Sallee, Tara Cox, Brian Balmer, Russell Day, Laura Garcia Barcia, Antoinette Gorgone, Jeremy Kiszka, Jenny Litz, Robin Perrtree, Teri Rowles, Lori Schwacke, Randall Wells, Eric Zolman
Bottlenose dolphins (Tursiops spp.) inhabit bays, sounds, and estuaries (BSEs) throughout the southeast region of the U.S.A. and are sentinel species for human and ecosystem-level health. Dolphins are vulnerable to the bioaccumulation of contaminants

Operando XPS for Plasma Process Monitoring: A Case Study on the Hydrogenation of Copper Oxide Confined under h-BN

April 29, 2024
Author(s)
Trey Diulus, Andrew Naclerio, J. Anibal Boscoboinik, Ashley Head, Evgheni Strelcov, Piran Kidambi, Andrei Kolmakov
We demonstrate that ambient pressure x-ray photoelectron spectroscopy (APXPS) can be used for in situ studies of dynamic changes in surface chemistry in a plasma environment. Hexagonal boron nitride (h-BN) was used in this study as a model system since it

Accelerating Defect Predictions in Semiconductors Using Graph Neural Networks

March 27, 2024
Author(s)
Md. Habibur Rahman, Prince Gollapalli, Panayotis Manganaris, Satyesh Kumar Yadav, Ghanshyam Pilania, Arun Kumar Mannodi-Kanakkithodi, Brian DeCost, Kamal Choudhary
First principles computations reliably predict the energetics of point defects in semiconductors, but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especially

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

March 15, 2024
Author(s)
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

Superancillary Equations for the Multiparameter EOS in REFPROP 10.0

March 8, 2024
Author(s)
Ian Bell
Superancillary equations have been developed for the default multiparameter equations of state (EOS) for all 147 pure fluids in NIST REFPROP 10.0. These superancillary equations represent the orthobaric densities and saturation pressure of the EOS by

Bottom-up Au Filling of Trenches in Curved Wafers

March 4, 2024
Author(s)
Daniel Josell, Thomas P. Moffat, Thomas Gnaupel-Herold, David Raciti, Martin Stauber, Yu Q, Liyang Chen, M Rawlik, Marco Stampanoni, Lucia Romano
A 〖Bi〗^(3+)-stimulated Au electrodeposition process in slightly alkaline 〖Na〗_3 Au(〖SO〗_3 )_2+〖Na〗_2 〖SO〗_3 electrolytes has been previously demonstrated for void-free extreme bottom-up filling of trenches with aspect ratios (height/width) exceeding 60 in

Chemical Foundations for a Cannabis Breathalyzer (Final Research Report)

March 1, 2024
Author(s)
Tara Lovestead, Jason A. Widegren, Kavita Jeerage
Our ultimate goal is to support the reliable identification of recent cannabis use by developing an infrastructure for evaluation, calibration, and quality control of cannabis breathalyzers akin to that which exists for alcohol breathalyzers. The primary

Correlating Near-Infrared Spectra to Bulk Properties in Polyolefins

February 28, 2024
Author(s)
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

The role of indoor surface pH in controlling the fate of acids and bases in an unoccupied residence

February 26, 2024
Author(s)
Jenna Ditto, Marc Webb, Han Huynh, Jie Yu, Glenn Morrison, Barbara Turpin, Michael Alves, Kathryn Mayer, Michael Link, Allen Goldstein, Dustin Poppendieck, Marina Vance, Delphine Farmer, Arthur Chan, Jonathan Abbatt
The chemical composition of indoor air is strongly driven by the composition and properties of indoor surfaces. At the Chemical Assessments of Surfaces and Air (CASA) campaign, we performed controlled additions of ammonia (reaching up to 297 ppb to 662 ppb

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

February 12, 2024
Author(s)
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
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
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