{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T03:55:58Z","timestamp":1782878158788,"version":"3.54.5"},"reference-count":36,"publisher":"Wiley","issue":"17","license":[{"start":{"date-parts":[[2017,8,7]],"date-time":"2017-08-07T00:00:00Z","timestamp":1502064000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["1R01GM106016"],"award-info":[{"award-number":["1R01GM106016"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Rapid Comm Mass Spectrometry"],"published-print":{"date-parts":[[2017,9,15]]},"abstract":"<jats:sec>\n                    <jats:title>Rationale<\/jats:title>\n                    <jats:p>We describe multiple reaction monitoring (MRM)\u2010profiling, which provides accelerated discovery of discriminating molecular features, and its application to human polycystic ovary syndrome (PCOS) diagnosis. The discovery phase of the MRM\u2010profiling seeks molecular features based on some prior knowledge of the chemical functional groups likely to be present in the sample. It does this through use of a limited number of pre\u2010chosen and chemically specific neutral loss and\/or precursor ion MS\/MS scans. The output of the discovery phase is a set of precursor\/product transitions. In the screening phase these MRM transitions are used to interrogate multiple samples (hence the name MRM\u2010profiling).<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>MRM\u2010profiling was applied to follicular fluid samples of 22 controls and 29 clinically diagnosed PCOS patients. Representative samples were delivered by flow injection to a triple quadrupole mass spectrometer set to perform a number of pre\u2010chosen and chemically specific neutral loss and\/or precursor ion MS\/MS scans. The output of this discovery phase was a set of 1012 precursor\/product transitions. In the screening phase each individual sample was interrogated for these MRM transitions. Principal component analysis (PCA) and receiver operating characteristic (ROC) curves were used for statistical analysis.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      To evaluate the method's performance, half the samples were used to build a classification model (testing set) and half were blinded (validation set). Twenty transitions were used for the classification of the blind samples, most of them (\n                      <jats:italic>N<\/jats:italic>\n                      \u00a0=\u00a019) showed lower abundances in the PCOS group and corresponded to phosphatidylethanolamine (PE) and phosphatidylserine (PS) lipids. Agreement of 73% with clinical diagnosis was found when classifying the 26 blind samples.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>MRM\u2010profiling is a supervised method characterized by its simplicity, speed and the absence of chromatographic separation. It can be used to rapidly isolate discriminating molecules in healthy\/disease conditions by tailored screening of signals associated with hundreds of molecules in complex samples.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/rcm.7927","type":"journal-article","created":{"date-parts":[[2017,6,28]],"date-time":"2017-06-28T04:02:45Z","timestamp":1498622565000},"page":"1462-1470","source":"Crossref","is-referenced-by-count":37,"title":["Multiple reaction monitoring (MRM)\u2010profiling for biomarker discovery applied to human polycystic ovarian syndrome"],"prefix":"10.1002","volume":"31","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5690-9665","authenticated-orcid":false,"given":"Fernanda B.","family":"Cordeiro","sequence":"first","affiliation":[{"name":"Department of Chemistry and Center for Analytical Instrumentation Development (CAID) Purdue University  West Lafayette IN 47907 USA"},{"name":"Department of Surgery, Division of Urology, Human Reproduction Section Sao Paulo Federal University  Sao Paulo Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3988-6454","authenticated-orcid":false,"given":"Christina R.","family":"Ferreira","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for Analytical Instrumentation Development (CAID) Purdue University  West Lafayette IN 47907 USA"},{"name":"Bindley Bioscience Center Purdue University  West Lafayette Indiana USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0217-0084","authenticated-orcid":false,"given":"Tiago Jose P.","family":"Sobreira","sequence":"additional","affiliation":[{"name":"Bindley Bioscience Center Purdue University  West Lafayette Indiana USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Karen E.","family":"Yannell","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for Analytical Instrumentation Development (CAID) Purdue University  West Lafayette IN 47907 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2228-6308","authenticated-orcid":false,"given":"Alan K.","family":"Jarmusch","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Center for Analytical Instrumentation Development (CAID) Purdue University  West Lafayette IN 47907 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Agnaldo P.","family":"Cedenho","sequence":"additional","affiliation":[{"name":"Department of Surgery, Division of Urology, Human Reproduction Section Sao Paulo Federal University  Sao Paulo Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Edson G.","family":"Lo Turco","sequence":"additional","affiliation":[{"name":"Department of Surgery, Division of Urology, Human Reproduction Section Sao Paulo Federal University  Sao Paulo Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9581-9603","authenticated-orcid":false,"given":"R. 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