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Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)

Raman chemometric urinalysis (Rametrix(™)) was used to analyze 235 urine specimens from healthy individuals. The purpose of this study was to establish the “range of normal” for Raman spectra of urine specimens from healthy individuals. Ultimately, spectra falling outside of this range will be corre...

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Autores principales: Senger, Ryan S., Kavuru, Varun, Sullivan, Meaghan, Gouldin, Austin, Lundgren, Stephanie, Merrifield, Kristen, Steen, Caitlin, Baker, Emily, Vu, Tommy, Agnor, Ben, Martinez, Gabrielle, Coogan, Hana, Carswell, William, Karageorge, Lampros, Dev, Devasmita, Du, Pang, Sklar, Allan, Orlando, Giuseppe, Pirkle, James, Robertson, John L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6764656/
https://www.ncbi.nlm.nih.gov/pubmed/31560690
http://dx.doi.org/10.1371/journal.pone.0222115
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author Senger, Ryan S.
Kavuru, Varun
Sullivan, Meaghan
Gouldin, Austin
Lundgren, Stephanie
Merrifield, Kristen
Steen, Caitlin
Baker, Emily
Vu, Tommy
Agnor, Ben
Martinez, Gabrielle
Coogan, Hana
Carswell, William
Karageorge, Lampros
Dev, Devasmita
Du, Pang
Sklar, Allan
Orlando, Giuseppe
Pirkle, James
Robertson, John L.
author_facet Senger, Ryan S.
Kavuru, Varun
Sullivan, Meaghan
Gouldin, Austin
Lundgren, Stephanie
Merrifield, Kristen
Steen, Caitlin
Baker, Emily
Vu, Tommy
Agnor, Ben
Martinez, Gabrielle
Coogan, Hana
Carswell, William
Karageorge, Lampros
Dev, Devasmita
Du, Pang
Sklar, Allan
Orlando, Giuseppe
Pirkle, James
Robertson, John L.
author_sort Senger, Ryan S.
collection PubMed
description Raman chemometric urinalysis (Rametrix(™)) was used to analyze 235 urine specimens from healthy individuals. The purpose of this study was to establish the “range of normal” for Raman spectra of urine specimens from healthy individuals. Ultimately, spectra falling outside of this range will be correlated with kidney and urinary tract disease. Rametrix(™) analysis includes direct comparisons of Raman spectra but also principal component analysis (PCA), discriminant analysis of principal components (DAPC) models, multivariate statistics, and it is available through GitHub as the Rametrix(™) LITE Toolbox for MATLAB(®). Results showed consistently overlapping Raman spectra of urine specimens with significantly larger variances in Raman shifts, found by PCA, corresponding to urea, creatinine, and glucose concentrations. A 2-way ANOVA test found that age of the urine specimen donor was statistically significant (p < 0.001) and donor sex (female or male identification) was less so (p = 0.0526). With DAPC models and blind leave-one-out build/test routines using the Rametrix(™) PRO Toolbox (also available through GitHub), an accuracy of 71% (sensitivity = 72%; specificity = 70%) was obtained when predicting whether a urine specimen from a healthy unknown individual was from a female or male donor. Finally, from female and male donors (n = 4) who contributed first morning void urine specimens each day for 30 days, the co-occurrence of menstruation was found statistically insignificant to Rametrix(™) results (p = 0.695). In addition, Rametrix(™) PRO was able to link urine specimens with the individual donor with an average of 78% accuracy. Taken together, this study established the range of Raman spectra that could be expected when obtaining urine specimens from healthy individuals and analyzed by Rametrix(™) and provides the methodology for linking results with donor characteristics.
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spelling pubmed-67646562019-10-12 Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix) Senger, Ryan S. Kavuru, Varun Sullivan, Meaghan Gouldin, Austin Lundgren, Stephanie Merrifield, Kristen Steen, Caitlin Baker, Emily Vu, Tommy Agnor, Ben Martinez, Gabrielle Coogan, Hana Carswell, William Karageorge, Lampros Dev, Devasmita Du, Pang Sklar, Allan Orlando, Giuseppe Pirkle, James Robertson, John L. PLoS One Research Article Raman chemometric urinalysis (Rametrix(™)) was used to analyze 235 urine specimens from healthy individuals. The purpose of this study was to establish the “range of normal” for Raman spectra of urine specimens from healthy individuals. Ultimately, spectra falling outside of this range will be correlated with kidney and urinary tract disease. Rametrix(™) analysis includes direct comparisons of Raman spectra but also principal component analysis (PCA), discriminant analysis of principal components (DAPC) models, multivariate statistics, and it is available through GitHub as the Rametrix(™) LITE Toolbox for MATLAB(®). Results showed consistently overlapping Raman spectra of urine specimens with significantly larger variances in Raman shifts, found by PCA, corresponding to urea, creatinine, and glucose concentrations. A 2-way ANOVA test found that age of the urine specimen donor was statistically significant (p < 0.001) and donor sex (female or male identification) was less so (p = 0.0526). With DAPC models and blind leave-one-out build/test routines using the Rametrix(™) PRO Toolbox (also available through GitHub), an accuracy of 71% (sensitivity = 72%; specificity = 70%) was obtained when predicting whether a urine specimen from a healthy unknown individual was from a female or male donor. Finally, from female and male donors (n = 4) who contributed first morning void urine specimens each day for 30 days, the co-occurrence of menstruation was found statistically insignificant to Rametrix(™) results (p = 0.695). In addition, Rametrix(™) PRO was able to link urine specimens with the individual donor with an average of 78% accuracy. Taken together, this study established the range of Raman spectra that could be expected when obtaining urine specimens from healthy individuals and analyzed by Rametrix(™) and provides the methodology for linking results with donor characteristics. Public Library of Science 2019-09-27 /pmc/articles/PMC6764656/ /pubmed/31560690 http://dx.doi.org/10.1371/journal.pone.0222115 Text en © 2019 Senger et al http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Senger, Ryan S.
Kavuru, Varun
Sullivan, Meaghan
Gouldin, Austin
Lundgren, Stephanie
Merrifield, Kristen
Steen, Caitlin
Baker, Emily
Vu, Tommy
Agnor, Ben
Martinez, Gabrielle
Coogan, Hana
Carswell, William
Karageorge, Lampros
Dev, Devasmita
Du, Pang
Sklar, Allan
Orlando, Giuseppe
Pirkle, James
Robertson, John L.
Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title_full Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title_fullStr Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title_full_unstemmed Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title_short Spectral characteristics of urine specimens from healthy human volunteers analyzed using Raman chemometric urinalysis (Rametrix)
title_sort spectral characteristics of urine specimens from healthy human volunteers analyzed using raman chemometric urinalysis (rametrix)
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6764656/
https://www.ncbi.nlm.nih.gov/pubmed/31560690
http://dx.doi.org/10.1371/journal.pone.0222115
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