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Search Publications by: Anthony J. Kearsley (Fed)

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Displaying 1 - 25 of 84

Similarity Measures of Mass Spectra in Hilbert Spaces

July 29, 2024
Author(s)
Anthony J. Kearsley, Matthew Roberts
Mass spectrometry (MS) is an analytic tool for measuring mass-to-charge ratios of molecules or molecular fragments. It is often used to identify and classify compounds. A mass spectrometer measures the mass of molecules and produces a signal proportional

Spatially-Dependent Model for Rods and Cones in the Retina

December 14, 2023
Author(s)
Daniel M. Anderson, Danielle Brager, Anthony J. Kearsley
We develop a mathematical model for photoreceptors in the retina. We focus on rod and cone outer segment dynamics and interactions with a nutrient source associated with the retinal pigment epithelium cells. Rod and cone densities (number per unit area of

Monoclonal Antibodies as SARS-CoV-2 Serology Standards: Experimental Validation and Broader Implications for Correlates of Protection

October 28, 2023
Author(s)
Lili Wang, Paul Patrone, Anthony Kearsley, Jerilyn Izac, Adolfas Gaigalas, John Prostko, Hang Xie, Linhua Tian, Elzafir Elsheikh, Edward Kwee, Troy Kemp, Simon Jochum, Natalie Thornburg, Clifford McDonald, Adi Gundlapalli, Sheng Lin-Gibson
COVID-19 has highlighted the need for more accurate and reproducible measurements of humoral immunity, including antibody levels and neutralization potential, which are critical for diagnostics, seroprevalence estimates, and development of vaccines and

Inferring the nominal molecular mass of an analyte from its electron ionization mass spectrum

August 23, 2023
Author(s)
Arun Moorthy, Anthony J. Kearsley, William Mallard, William E. Wallace, Stephen E. Stein
The performance of three algorithms for predicting nominal molecular mass from an analyte's electron ionization mass spectrum is presented. The Peak Interpretation Method (PIM) attempts to quantify the likelihood that a molecular ion peak is contained in

On the challenge of unambiguous identification of fentanyl analogs: exploring measurement diversity using standard reference mass spectral libraries

July 11, 2023
Author(s)
Arun Moorthy, Edward Erisman, Anthony J. Kearsley, Yuxue Liang, Edward Sisco, William E. Wallace
Fentanyl analogs are a class of designer drugs that are particularly challenging to unambiguously identify due to the mass spectral and retention time similarities of unique compounds. In this paper, we use agglomerative hierarchical clustering to explore

Graph Convolutional Neural Network Applied to the Prediction of Normal Boiling Point

February 4, 2022
Author(s)
Chen Qu, Anthony J. Kearsley, Barry I. Schneider, Walid Keyrouz, Thomas C. Allison
In this article, we describe training and validation of a machine learning model for the prediction of organic compound normal boiling points. Data are drawn from the experimental literature as captured in the NIST Thermodynamics Research Center (TRC)

Optofluidic Flow Meter for sub-nanoliter per minute flow measurements

January 31, 2022
Author(s)
Jalal Sadeghi, Paul Patrone, Anthony J. Kearsley, Gregory A. Cooksey
Performance improvements in microfluidic systems depend on accurate measurement and control of fluids on the micro- and nanoscale, and new applications are continuously moving the needle to lower volumetric flow rates. This work focuses on improving an

Smoothing Techniques in Dynamic Building System Simulation

August 27, 2021
Author(s)
Zhelun Chen, Jin Wen, Anthony J. Kearsley, Amanda Pertzborn
Efficiently, robustly, and accurately solving systems of nonlinear differential algebraic equations (DAE) for dynamic building system simulation is becoming more important due to the increasing demand to simulate large-scale problems including the