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Optical Screening of Female Breast Cancer from Whole Blood Using Raman Spectroscopy
This study is intended to develop a screening method for female breast cancer (BRC) from whole blood using Raman spectroscopy. A multivariate partial least squares (PLS) regression model is developed which is based upon Raman spectra of BRC-positive and healthy participants. It yields coefficients o...
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Published in: | Applied spectroscopy 2017-05, Vol.71 (5), p.1004-1013 |
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creator | Bilal, Maria Bilal, Muhammad Tabassum, Sobia Saleem, Muhammad Mahmood, Humera Sarwar, Usama Bangush, Hina Munir, Faiza Aslam Zia, Muhammad Ahmed, Mushtaq Shahzada, Shaista Ullah Khan, Ehsan |
description | This study is intended to develop a screening method for female breast cancer (BRC) from whole blood using Raman spectroscopy. A multivariate partial least squares (PLS) regression model is developed which is based upon Raman spectra of BRC-positive and healthy participants. It yields coefficients of regression at the corresponding Raman shifts. These coefficients represent the changes in molecular structures which are associated with the progress of disease. The present study pointed out some specific molecules which differentiated BRC-positive and healthy groups. In the BRC-positive group, a rising trend of calcium oxalate, calcium hydroxyapatite, phosphatidylserine and qunoid ring, and a lowering trend of tryptophan, tyrosine, and proline were observed in PLS-based coefficients of regression. The R-square value of the model was found to be 0.987, which is accepted clinically. The model was tested for the prediction of 50 randomly collected samples at a cutoff value of 0.5 with the gray region defined in the range of 0.4–0.6. Goodness of fit was estimated using accuracy, sensitivity, specificity, receiver operating characteristic (ROC) curve, and area under ROC curve. All of these parameters were found to be very promising. |
doi_str_mv | 10.1177/0003702816667516 |
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A multivariate partial least squares (PLS) regression model is developed which is based upon Raman spectra of BRC-positive and healthy participants. It yields coefficients of regression at the corresponding Raman shifts. These coefficients represent the changes in molecular structures which are associated with the progress of disease. The present study pointed out some specific molecules which differentiated BRC-positive and healthy groups. In the BRC-positive group, a rising trend of calcium oxalate, calcium hydroxyapatite, phosphatidylserine and qunoid ring, and a lowering trend of tryptophan, tyrosine, and proline were observed in PLS-based coefficients of regression. The R-square value of the model was found to be 0.987, which is accepted clinically. The model was tested for the prediction of 50 randomly collected samples at a cutoff value of 0.5 with the gray region defined in the range of 0.4–0.6. Goodness of fit was estimated using accuracy, sensitivity, specificity, receiver operating characteristic (ROC) curve, and area under ROC curve. All of these parameters were found to be very promising.</description><identifier>ISSN: 0003-7028</identifier><identifier>EISSN: 1943-3530</identifier><identifier>DOI: 10.1177/0003702816667516</identifier><identifier>PMID: 27634888</identifier><language>eng</language><publisher>London, England: SAGE Publications</publisher><subject>Biomarkers, Tumor - blood ; Breast Neoplasms - blood ; Breast Neoplasms - metabolism ; Female ; Humans ; Least-Squares Analysis ; Multivariate Analysis ; ROC Curve ; Spectrum Analysis, Raman - methods</subject><ispartof>Applied spectroscopy, 2017-05, Vol.71 (5), p.1004-1013</ispartof><rights>The Author(s) 2016</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c337t-c08979a7aa5d75b20db94d7efb6d17994110c788cf9ea73a2262c5bfffa7c4603</citedby><cites>FETCH-LOGICAL-c337t-c08979a7aa5d75b20db94d7efb6d17994110c788cf9ea73a2262c5bfffa7c4603</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/27634888$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Bilal, Maria</creatorcontrib><creatorcontrib>Bilal, Muhammad</creatorcontrib><creatorcontrib>Tabassum, Sobia</creatorcontrib><creatorcontrib>Saleem, Muhammad</creatorcontrib><creatorcontrib>Mahmood, Humera</creatorcontrib><creatorcontrib>Sarwar, Usama</creatorcontrib><creatorcontrib>Bangush, Hina</creatorcontrib><creatorcontrib>Munir, Faiza</creatorcontrib><creatorcontrib>Aslam Zia, Muhammad</creatorcontrib><creatorcontrib>Ahmed, Mushtaq</creatorcontrib><creatorcontrib>Shahzada, Shaista</creatorcontrib><creatorcontrib>Ullah Khan, Ehsan</creatorcontrib><title>Optical Screening of Female Breast Cancer from Whole Blood Using Raman Spectroscopy</title><title>Applied spectroscopy</title><addtitle>Appl Spectrosc</addtitle><description>This study is intended to develop a screening method for female breast cancer (BRC) from whole blood using Raman spectroscopy. A multivariate partial least squares (PLS) regression model is developed which is based upon Raman spectra of BRC-positive and healthy participants. It yields coefficients of regression at the corresponding Raman shifts. These coefficients represent the changes in molecular structures which are associated with the progress of disease. The present study pointed out some specific molecules which differentiated BRC-positive and healthy groups. In the BRC-positive group, a rising trend of calcium oxalate, calcium hydroxyapatite, phosphatidylserine and qunoid ring, and a lowering trend of tryptophan, tyrosine, and proline were observed in PLS-based coefficients of regression. The R-square value of the model was found to be 0.987, which is accepted clinically. The model was tested for the prediction of 50 randomly collected samples at a cutoff value of 0.5 with the gray region defined in the range of 0.4–0.6. Goodness of fit was estimated using accuracy, sensitivity, specificity, receiver operating characteristic (ROC) curve, and area under ROC curve. All of these parameters were found to be very promising.</description><subject>Biomarkers, Tumor - blood</subject><subject>Breast Neoplasms - blood</subject><subject>Breast Neoplasms - metabolism</subject><subject>Female</subject><subject>Humans</subject><subject>Least-Squares Analysis</subject><subject>Multivariate Analysis</subject><subject>ROC Curve</subject><subject>Spectrum Analysis, Raman - methods</subject><issn>0003-7028</issn><issn>1943-3530</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNp1kDFPwzAQhS0EoqWwMyGPLAE7jmN7hIoCUqVKlIoxujh2SZXEwU6G_nsStTAgMZ1O73tPdw-ha0ruKBXinhDCBIklTdNUcJqeoClVCYsYZ-QUTUc5GvUJughhN6xcMX6OJrFIWSKlnKL1qu1KDRVea29MUzZb7CxemBoqgx-9gdDhOTTaeGy9q_HHpxuFyrkCb8KIv0ENDV63RnfeBe3a_SU6s1AFc3WcM7RZPL3PX6Ll6vl1_rCMNGOiizSRSigQALwQPI9JkaukEMbmaUGFUgmlRAsptVUGBIM4TmPNc2stCJ2khM3Q7SG39e6rN6HL6jJoU1XQGNeHjEquBCNc0gElB1QPNwZvbNb6sga_zyjJxiqzv1UOlptjep_Xpvg1_HQ3ANEBCLA12c71vhm-_T_wG-IJerE</recordid><startdate>201705</startdate><enddate>201705</enddate><creator>Bilal, Maria</creator><creator>Bilal, Muhammad</creator><creator>Tabassum, Sobia</creator><creator>Saleem, Muhammad</creator><creator>Mahmood, Humera</creator><creator>Sarwar, Usama</creator><creator>Bangush, Hina</creator><creator>Munir, Faiza</creator><creator>Aslam Zia, Muhammad</creator><creator>Ahmed, Mushtaq</creator><creator>Shahzada, Shaista</creator><creator>Ullah Khan, Ehsan</creator><general>SAGE Publications</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>201705</creationdate><title>Optical Screening of Female Breast Cancer from Whole Blood Using Raman Spectroscopy</title><author>Bilal, Maria ; Bilal, Muhammad ; Tabassum, Sobia ; Saleem, Muhammad ; Mahmood, Humera ; Sarwar, Usama ; Bangush, Hina ; Munir, Faiza ; Aslam Zia, Muhammad ; Ahmed, Mushtaq ; Shahzada, Shaista ; Ullah Khan, Ehsan</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c337t-c08979a7aa5d75b20db94d7efb6d17994110c788cf9ea73a2262c5bfffa7c4603</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Biomarkers, Tumor - blood</topic><topic>Breast Neoplasms - blood</topic><topic>Breast Neoplasms - metabolism</topic><topic>Female</topic><topic>Humans</topic><topic>Least-Squares Analysis</topic><topic>Multivariate Analysis</topic><topic>ROC Curve</topic><topic>Spectrum Analysis, Raman - methods</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bilal, Maria</creatorcontrib><creatorcontrib>Bilal, Muhammad</creatorcontrib><creatorcontrib>Tabassum, Sobia</creatorcontrib><creatorcontrib>Saleem, Muhammad</creatorcontrib><creatorcontrib>Mahmood, Humera</creatorcontrib><creatorcontrib>Sarwar, Usama</creatorcontrib><creatorcontrib>Bangush, Hina</creatorcontrib><creatorcontrib>Munir, Faiza</creatorcontrib><creatorcontrib>Aslam Zia, Muhammad</creatorcontrib><creatorcontrib>Ahmed, Mushtaq</creatorcontrib><creatorcontrib>Shahzada, Shaista</creatorcontrib><creatorcontrib>Ullah Khan, Ehsan</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Applied spectroscopy</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bilal, Maria</au><au>Bilal, Muhammad</au><au>Tabassum, Sobia</au><au>Saleem, Muhammad</au><au>Mahmood, Humera</au><au>Sarwar, Usama</au><au>Bangush, Hina</au><au>Munir, Faiza</au><au>Aslam Zia, Muhammad</au><au>Ahmed, Mushtaq</au><au>Shahzada, Shaista</au><au>Ullah Khan, Ehsan</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Optical Screening of Female Breast Cancer from Whole Blood Using Raman Spectroscopy</atitle><jtitle>Applied spectroscopy</jtitle><addtitle>Appl Spectrosc</addtitle><date>2017-05</date><risdate>2017</risdate><volume>71</volume><issue>5</issue><spage>1004</spage><epage>1013</epage><pages>1004-1013</pages><issn>0003-7028</issn><eissn>1943-3530</eissn><abstract>This study is intended to develop a screening method for female breast cancer (BRC) from whole blood using Raman spectroscopy. A multivariate partial least squares (PLS) regression model is developed which is based upon Raman spectra of BRC-positive and healthy participants. It yields coefficients of regression at the corresponding Raman shifts. These coefficients represent the changes in molecular structures which are associated with the progress of disease. The present study pointed out some specific molecules which differentiated BRC-positive and healthy groups. In the BRC-positive group, a rising trend of calcium oxalate, calcium hydroxyapatite, phosphatidylserine and qunoid ring, and a lowering trend of tryptophan, tyrosine, and proline were observed in PLS-based coefficients of regression. The R-square value of the model was found to be 0.987, which is accepted clinically. The model was tested for the prediction of 50 randomly collected samples at a cutoff value of 0.5 with the gray region defined in the range of 0.4–0.6. Goodness of fit was estimated using accuracy, sensitivity, specificity, receiver operating characteristic (ROC) curve, and area under ROC curve. All of these parameters were found to be very promising.</abstract><cop>London, England</cop><pub>SAGE Publications</pub><pmid>27634888</pmid><doi>10.1177/0003702816667516</doi><tpages>10</tpages></addata></record> |
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subjects | Biomarkers, Tumor - blood Breast Neoplasms - blood Breast Neoplasms - metabolism Female Humans Least-Squares Analysis Multivariate Analysis ROC Curve Spectrum Analysis, Raman - methods |
title | Optical Screening of Female Breast Cancer from Whole Blood Using Raman Spectroscopy |
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