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The mass spectral library of the Scientific Working Group for the Analysis of Seized Drugs (SWGDRUG) is the most comprehensive free reference database of its kind in the world. It provides reliable mass spectra for identification of seized drugs, their
This report documents the performance of the National Institute of Standards and Technology (NIST) relative to that of its international peer organizations in studies coordinated by the Consultative Committee for Amount of Substance: Metrology in Chemistry
MAURO PANTEGHINI, Johanna Camara, VINCENT DELATOUR, Katleen Van Uytfanghe, Hubert Vesper, Tianjiao Zhang
Background: In previous publications, the Task Force on Reference Measurement System Implementation proposed a procedural approach combining a critical review of entries available in the Joint Committee on Traceability in Laboratory Medicine (JCTLM)
Gosia Musial, Demian Riccardi, Chris Suiter, Ethan Sontarp, Samantha Miller, Robert Lirette, Kyle Covington-Rehmeier, Avik Mahata, Chris Muzny, Angela Stelson, Kathleen Schwarz, Jason A. Widegren
The balance between ion solvation and ion pairing in aqueous solutions modulates chemical and physical processes from catalysis to protein folding. Yet, despite more than a century of investigation, quantitative determination of the distribution of ion
Richard A. Livingston, Preethi Sridhar, Neal Berke, Amde M. Amde, Heather H. Chen-Mayer
Prompt Gamma Activation Analysis (PGAA) is an elemental analysis method based on radiative neutron capture that is isotope-specific and has a high sensitivity to chlorine (Cl). To evaluate the feasibility of replacing the conventional wet chemistry method
Eric Rus, Eduardo De Lima Correa, Cindi L. Dennis, Thomas P. Moffat
The effects of potential and the presence of B(OH)3 on the electrodeposition of Pt1-xCox alloys from aqueous chloride-based solutions have been investigated, and the properties of the resulting films characterized. Films deposited at potentials 90 atomic %
Li Piin Sung, Rachel Cook, Chunlei Fan, YueJin Li, Sara Rostampour
Polyethylene terephthalate has been widely used in the packaging industry. Degraded PET micro(nano)plastics could pose public health concerns following release into various environments. This study focuses on PET degradation under ultraviolet radiation
Christian Hulzebos, Johanna Camara, Miranda van Berkel, VINCENT DELATOUR, Stanley Lo, Agnes Mailloux, Marcel Schmidt, Mercy Thomas, Lindsey Mackay, Ronda Greaves
Measurement of total serum bilirubin (TSB) concentration is the gold standard approach for diagnosing neonatal unconjugated hyperbilirubinemia. It is of utmost importance that the measured TSB concentration is sufficiently accurate to prevent
Jennifer Berry, Ashley Brooks-Russell, Cheryle Beuning, Sarah Limbacher, Tara Lovestead, Kavita Jeerage
Cannabinoids can be detected in breath after cannabis use, but different breath matrices need to be explored as studies to date with filter-based devices that collect breath aerosols have not demonstrated that breath-based measurements can reliably
The manipulation of spin-phonon coupling in both formations and explorations of magnetism in two-dimensional van der Waals ferromagnetic semiconductors facilitates unprecedented prospects for spintronic devices. The interlayer engineering with spin-phonon
Morgan Kramer, Trump Benjamin, Luke Daemen, Rafael Balderas-Xicohtencatl, Yongqiang Cheng, Anibal J. Ramirez-Cuesta, Craig Brown, Tomce Runcevski
The surface of Titan, Saturn's icy moon, is believed to be comprised of various molecular minerals with a great diversity in structure and composition. Under the surface conditions, 93 K and 1.45 atm, most small molecules solidify and form minerals
Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce AtomGPT, a model
Whirang Cho, Lucas Flagg, Christopher Stafford, Jeremiah Woodcock, Daniel Burnett, Anett Kondor, Douglas Fox, John Hoffmann
Polymer-based functional surface coatings are extensively used in advanced technologies, including optics, energy, and environmental applications. Surface thermodynamic properties profoundly impact the molecular interactions that control interfacial
Colleen E. Bryan Sallee, Walter Brent Wilson, Charles Barber, Monique Johnson, Jenna Klingsick, Jerome Mulloor, Blaza Toman, Elena Wood, Laura Wood, Andrea Yarberry
The National Institute of Standards and Technology (NIST) Reference Material (RM) 8210 Hemp Plant delivers non certified values for cannabinoids and toxic elements in a dried ground hemp plant material to help cannabis and forensic laboratories for use as
Avery Baumann, Takeshi Yamada, Kanae Ito, Chad R. Snyder, John Hoffman, Craig Brown, Christopher Stafford, Christopher Soles
Aminopolymer sorbents are leading candidates for extracting CO2 directly from the atmosphere under ambient conditions. For effective carbon capture, this requires not only that the CO2 actively binds with amine groups of the polymer under low gas
Barry I. Schneider, Anthony J. Kearsley, Walid Keyrouz, Thomas C. Allison, chen qu
Graph neural networks have been successfully applied to machine learning models related to molecules and crystals, due to the similarity between a molecule/crystal and a graph. In this paper, we present three models that are trained with high-quality
Carlos Hangarter, Eric Rus, Yihua Liu, Jaw Wook Shin, Vladimir Oleshko, Hyun Wook Ro, Russell Composto, Christopher Soles, Joseph A. Dura, Gery R. Stafford, Leonid Bendersky, Thomas P. Moffat
Pt100-xNix alloys are among the most active binary alloys for electrocatalysis of the oxygen reduction reaction (ORR) in PEM fuel cells. Electrodeposition and microstructure of thin films close to Pt75Ni25 and Pt25Ni75 stoichiometry are described and their
Vladimir Diky, Ala Bazyleva, Andrei F. Kazakov, Angela Li
Compound families or homologous series are frequently used for analysis and prediction of properties of chemical substances. A simple method is proposed for automated composing of such series.
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
Aaron Burkey, Anthony Kotula, Chad R. Snyder, Sara Orski, Kate Beers
To improve the circularity and performance of polyolefin materials, recent innovations have enabled the synthesis of polyolefins with new structural features such as cleavable breakpoints, functional chain ends, and unique comonomers. As new polyolefin
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
Michael F. Link, Rileigh Robertson, Dustin Poppendieck
In response to the COVID-19 pandemic, air cleaning technologies were promoted as useful tools for disinfecting public spaces and combating airborne pathogen transmission. However, no standard method exists to assess potentially harmful byproduct formation