Publications by authors named "David A Sheen"

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Assessing Arsenic Species in Foods Using Regularized Linear Regression of the Arsenic K-edge X-ray Absorption Near Edge Structure.
Evan P Jahrman, Lee L Yu, William P Krekelberg, David A Sheen, Thomas C Allison

J Anal At Spectrom· January 2022

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Predicting the Mixing Behavior of Aqueous Solutions Using a Machine Learning Framework.
Chris J Peacock, Connor Lamont, David A Sheen, Vincent K Shen, Laurent Kreplak

ACS Appl Mater Interfaces· March 2021

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Principal component analysis for automated classification of 2D spectra and interferograms of protein therapeutics: influence of noise, reconstruction details, and data preparation.
Robert G Brinson, K Wade Elliott, Luke W Arbogast, David A Sheen, John P Giddens

J Biomol NMR· November 2020

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Grouping of complex substances using analytical chemistry data: A framework for quantitative evaluation and visualization.
Melis Onel, Burcu Beykal, Kyle Ferguson, Weihsueh A Chiu, Thomas J McDonald, David A Sheen

PLoS One· March 2020

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Chemometric Outlier Classification of 2D-NMR Spectra to Enable Higher Order Structure Characterization of Protein Therapeutics.
David A Sheen, Vincent K Shen, Robert G Brinson, Luke W Arbogast, John P Marino

Chemometr Intell Lab Syst· January 2020

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Laser-Driven Calorimetry and Chemometric Quantification of Standard Reference Material Diesel/Biodiesel Fuel Blends.
Werickson Fortunato de Carvalho Rocha, Cary Presser, Shannon Bernier, Ashot Nazarian, David A Sheen

Fuel (Lond)· January 2020

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Metabolomics Test Materials for Quality Control: A Study of a Urine Materials Suite.
Daniel W Bearden, David A Sheen, Yamil Simón-Manso, Bruce A Benner, Werickson F C Rocha

Metabolites· November 2019

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Determination of physicochemical properties of petroleum derivatives and biodiesel using GC/MS and chemometric methods with uncertainty estimation.
Werickson Fortunato de Carvalho Rocha, David A Sheen

Fuel (Lond)· May 2019

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interlab: A Python Module for Analyzing Interlaboratory Comparison Data.
David A Sheen

J Res Natl Inst Stand Technol· March 2019

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Evaluated Site-Specific Rate Constants for Reaction of Isobutane with H and CH: Shock Tube Experiments Combined with Bayesian Model Optimization.
Laura A Mertens, Iftikhar A Awan, David A Sheen, Jeffrey A Manion

J Phys Chem A· December 2018

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Classification of samples from NMR-based metabolomics using principal components analysis and partial least squares with uncertainty estimation.
Werickson Fortunato de Carvalho Rocha, David A Sheen, Daniel W Bearden

Anal Bioanal Chem· September 2018

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mumpce_py: A Python Implementation of the Method of Uncertainty Minimization Using Polynomial Chaos Expansions.
David A Sheen

J Res Natl Inst Stand Technol· October 2017

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Unsupervised classification of petroleum Certified Reference Materials and other fuels by chemometric analysis of gas chromatography-mass spectrometry data.
Werickson Fortunato de Carvalho Rocha, Michele M Schantz, David A Sheen, Pamela M Chu, Katrice A Lippa

Fuel (Lond)· June 2017

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A scoring metric for multivariate data for reproducibility analysis using chemometric methods.
David A Sheen, Werickson Fortunato de Carvalho Rocha, Katrice A Lippa, Daniel W Bearden

Chemometr Intell Lab Syst· March 2017

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Chemical kinetic model uncertainty minimization through laminar flame speed measurements.
Okjoo Park, Peter S Veloo, David A Sheen, Yujie Tao, Fokion N Egolfopoulos

Combust Flame· October 2016

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Evaluated Kinetics of the Reactions of H and CH3 with n-Alkanes: Experiments with n-Butane and a Combustion Model Reaction Network Analysis.
Jeffrey A Manion, David A Sheen, Iftikhar A Awan

J Phys Chem A· July 2015

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Kinetics of the reactions of H and CH3 radicals with n-butane: an experimental design study using reaction network analysis.
David A Sheen, Jeffrey A Manion

J Phys Chem A· July 2014

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