| Title: | Development of a headspace-solid phase microextraction gas chromatography-high resolution mass spectrometry method for analyzing volatile organic compounds in urine: Application in breast cancer biomarker discovery |
| Author(s): | Li X; Wen X; Luo Z; Tian Y; Qian C; Zhang J; Ling R; Duan Y; |
| Address: | "Research Center of Analytical Instrumentation, Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry & Materials Science, Northwest University, Xi'an, Shaanxi 710069, China. Department of Thyroid, Breast and Vascular Surgery, Xijing Hospital, Xi'an, Shaanxi 710032, China. Research Center of Analytical Instrumentation, Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry & Materials Science, Northwest University, Xi'an, Shaanxi 710069, China. Electronic address: yduan@nwu.edu.cn" |
| DOI: | 10.1016/j.cca.2023.117236 |
| ISSN/ISBN: | 1873-3492 (Electronic) 0009-8981 (Linking) |
| Abstract: | "BACKGROUND AND AIM: Breast cancer (BC) is the leading cause of cancer-related death in females. The development of non-invasive methods for the early diagnosis of BC still remains challenge. Here, we aimed to discover the urinary volatile organic compounds (VOCs) pattern of BC patients and identify potential VOC biomarkers for BC diagnosis. METHODS: Urine samples were analyzed by headspace-solid phase microextraction (HS-SPME) combined with gas chromatography-high resolution mass spectrometry (GC-HRMS). To assure reliable analysis, the factors influencing HS-SPME extraction efficiency were comprehensively investigated and optimized by combing the Plackett-Burman design (PBD) with the central composite design (CCD). The established HS-SPME/GC-HRMS method was validated and applied to analyze urine samples from BC patients (n = 80) and healthy controls (n = 88). RESULTS: A total number of 134 VOCs belonging to distinct chemical classes were identified by GC-HRMS. BC patients demonstrated unique urinary VOCs pattern. Orthogonal partial least squares-discriminant analysis (OPLS-DA) showed a clear separation between BC patients and healthy controls. Eight potential VOC biomarkers were identified using multivariate and univariate statistical analysis. The predictive ability of candidate VOC biomarkers was further investigated by the random forest (RF) algorithm. The candidate VOC biomarkers yielded 76.3% sensitivity and 85.4% specificity on the training set, and achieved 76.0% sensitivity and 92.3% specificity on the validation set. CONCLUSIONS: Overall, this work not only established a standardized HS-SPME/GC-HRMS approach for urinary VOCs analysis, but also highlighted the value of urinary VOCs for BC diagnosis. The knowledge gained from this study paves the way for early diagnosis of BC using urine in a non-invasive manner" |
| Keywords: | "Female Humans *Breast Neoplasms/diagnosis Biomarkers, Tumor/urine *Volatile Organic Compounds/urine Solid Phase Microextraction/methods Gas Chromatography-Mass Spectrometry/methods Breast cancer Design of experiments Gas chromatography-high resolution mas;" |
| Notes: | "MedlineLi, Xian Wen, Xinxin Luo, Zewei Tian, Yonghui Qian, Cheng Zhang, Jing Ling, Rui Duan, Yixiang eng Netherlands 2023/01/31 Clin Chim Acta. 2023 Feb 1; 540:117236. doi: 10.1016/j.cca.2023.117236. Epub 2023 Jan 27" |
