Sandra N Popescu, Kirsty Milligan, Mitchell Wiebe, Alejandra Fuentes, Joan M Brewer, Christina K Haston, Julian J Lum, Samantha Punch, Alejandra Raudales, Alexandre G Brolo, Juanita M Crook, Jeffrey L Andrews, Andrew Jirasek
{"title":"利用拉曼光谱和机器学习对hdr近距离放射治疗前列腺癌的免疫浸润进行建模。","authors":"Sandra N Popescu, Kirsty Milligan, Mitchell Wiebe, Alejandra Fuentes, Joan M Brewer, Christina K Haston, Julian J Lum, Samantha Punch, Alejandra Raudales, Alexandre G Brolo, Juanita M Crook, Jeffrey L Andrews, Andrew Jirasek","doi":"10.1038/s41598-025-20107-5","DOIUrl":null,"url":null,"abstract":"<p><p>Prostate cancer is characterized by an immunosuppressive tumour environment. This work combines Raman spectroscopy with group-and-bases-restricted non-negative matrix factorization (GBR-NMF) and machine learning to assemble models of immune cell densities within the needle-core biopsies of patients undergoing high-dose-rate brachytherapy (HDR-BT). Raman spectral acquisition, as well as immunohistochemistry staining of CD68[Formula: see text], CD3[Formula: see text], and [Formula: see text] cells, was completed for biopsies collected before and 2 weeks following the first fraction of HDR-BT. Regression techniques, constructed using GBR-NMF scores, that produced the most accurate predictions of immune cell density by metrics of root mean-squared error (RMSE) and R[Formula: see text] were the gradient-boosted trees model of [Formula: see text] density (RMSE: 163 counts[Formula: see text], [Formula: see text]: 0.65) and the elastic net model of [Formula: see text]/ [Formula: see text] (RMSE: 0.25, [Formula: see text]: 0.82). The accuracy of these models, herein defined as the fraction of patient predictions within [Formula: see text] standard deviation of their measured values was 11/16 and 12/16, for CD68[Formula: see text] CD3[Formula: see text] and CD68[Formula: see text]/ CD8[Formula: see text] models, respectively. To further delineate which metabolites were most important in the CD68[Formula: see text]/ CD8[Formula: see text] model, this ratio was further predicted in stromal and epithelial tissues within the biopsies, and resulting models utilized the GBR-NMF scores of glutathione, collagen, palmitic acid, and the pre- or post-HDR-BT label to produce an optimal performance level according to RMSE and R[Formula: see text]. In summary, this study illustrates a novel methodology in which supervised machine learning techniques are used to model immune cells, which are prognostic indicators of disease progression.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"36248"},"PeriodicalIF":3.9000,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12533066/pdf/","citationCount":"0","resultStr":"{\"title\":\"Modelling of immune infiltration in prostate cancer treated with HDR-brachytherapy using Raman spectroscopy and machine learning.\",\"authors\":\"Sandra N Popescu, Kirsty Milligan, Mitchell Wiebe, Alejandra Fuentes, Joan M Brewer, Christina K Haston, Julian J Lum, Samantha Punch, Alejandra Raudales, Alexandre G Brolo, Juanita M Crook, Jeffrey L Andrews, Andrew Jirasek\",\"doi\":\"10.1038/s41598-025-20107-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Prostate cancer is characterized by an immunosuppressive tumour environment. This work combines Raman spectroscopy with group-and-bases-restricted non-negative matrix factorization (GBR-NMF) and machine learning to assemble models of immune cell densities within the needle-core biopsies of patients undergoing high-dose-rate brachytherapy (HDR-BT). Raman spectral acquisition, as well as immunohistochemistry staining of CD68[Formula: see text], CD3[Formula: see text], and [Formula: see text] cells, was completed for biopsies collected before and 2 weeks following the first fraction of HDR-BT. Regression techniques, constructed using GBR-NMF scores, that produced the most accurate predictions of immune cell density by metrics of root mean-squared error (RMSE) and R[Formula: see text] were the gradient-boosted trees model of [Formula: see text] density (RMSE: 163 counts[Formula: see text], [Formula: see text]: 0.65) and the elastic net model of [Formula: see text]/ [Formula: see text] (RMSE: 0.25, [Formula: see text]: 0.82). The accuracy of these models, herein defined as the fraction of patient predictions within [Formula: see text] standard deviation of their measured values was 11/16 and 12/16, for CD68[Formula: see text] CD3[Formula: see text] and CD68[Formula: see text]/ CD8[Formula: see text] models, respectively. To further delineate which metabolites were most important in the CD68[Formula: see text]/ CD8[Formula: see text] model, this ratio was further predicted in stromal and epithelial tissues within the biopsies, and resulting models utilized the GBR-NMF scores of glutathione, collagen, palmitic acid, and the pre- or post-HDR-BT label to produce an optimal performance level according to RMSE and R[Formula: see text]. In summary, this study illustrates a novel methodology in which supervised machine learning techniques are used to model immune cells, which are prognostic indicators of disease progression.</p>\",\"PeriodicalId\":21811,\"journal\":{\"name\":\"Scientific Reports\",\"volume\":\"15 1\",\"pages\":\"36248\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2025-10-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12533066/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Scientific Reports\",\"FirstCategoryId\":\"103\",\"ListUrlMain\":\"https://doi.org/10.1038/s41598-025-20107-5\",\"RegionNum\":2,\"RegionCategory\":\"综合性期刊\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MULTIDISCIPLINARY SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scientific Reports","FirstCategoryId":"103","ListUrlMain":"https://doi.org/10.1038/s41598-025-20107-5","RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
Modelling of immune infiltration in prostate cancer treated with HDR-brachytherapy using Raman spectroscopy and machine learning.
Prostate cancer is characterized by an immunosuppressive tumour environment. This work combines Raman spectroscopy with group-and-bases-restricted non-negative matrix factorization (GBR-NMF) and machine learning to assemble models of immune cell densities within the needle-core biopsies of patients undergoing high-dose-rate brachytherapy (HDR-BT). Raman spectral acquisition, as well as immunohistochemistry staining of CD68[Formula: see text], CD3[Formula: see text], and [Formula: see text] cells, was completed for biopsies collected before and 2 weeks following the first fraction of HDR-BT. Regression techniques, constructed using GBR-NMF scores, that produced the most accurate predictions of immune cell density by metrics of root mean-squared error (RMSE) and R[Formula: see text] were the gradient-boosted trees model of [Formula: see text] density (RMSE: 163 counts[Formula: see text], [Formula: see text]: 0.65) and the elastic net model of [Formula: see text]/ [Formula: see text] (RMSE: 0.25, [Formula: see text]: 0.82). The accuracy of these models, herein defined as the fraction of patient predictions within [Formula: see text] standard deviation of their measured values was 11/16 and 12/16, for CD68[Formula: see text] CD3[Formula: see text] and CD68[Formula: see text]/ CD8[Formula: see text] models, respectively. To further delineate which metabolites were most important in the CD68[Formula: see text]/ CD8[Formula: see text] model, this ratio was further predicted in stromal and epithelial tissues within the biopsies, and resulting models utilized the GBR-NMF scores of glutathione, collagen, palmitic acid, and the pre- or post-HDR-BT label to produce an optimal performance level according to RMSE and R[Formula: see text]. In summary, this study illustrates a novel methodology in which supervised machine learning techniques are used to model immune cells, which are prognostic indicators of disease progression.
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