皮肤气体GC/MS分析在帕金森病严重程度预测中的应用

T. Tsuda, Tomoaki Nonome, Sae Goto, Jun-ichi Takeda, M. Tsunoda, M. Hirayama, K. Ohno
{"title":"皮肤气体GC/MS分析在帕金森病严重程度预测中的应用","authors":"T. Tsuda, Tomoaki Nonome, Sae Goto, Jun-ichi Takeda, M. Tsunoda, M. Hirayama, K. Ohno","doi":"10.15583/jpchrom.2019.014","DOIUrl":null,"url":null,"abstract":"Parkinson’s disease (PD) is diagnosed by neurological examinations, as well as by scintigraphy for the dopamine transporter and metaiodobenzylguanidine (MIBG). We studied possible application of the skin gas in diagnosis of PD. We analyzed chemical substances emanated from the skin by gas chromatograph/mass spectrometer (GC/MS) after on-line-pre-concentrator. We analyzed the skin gas in 61 PD patients and 61 controls. The GC/MS chromatograms were sectionalized every 30 sec. The retention time drift was shifted every 5 sec, and a similarity coefficient (Z score) between a reference chromatogram and each shifted chromatogram was calculated. Chromatograms with high Z scores were excluded from our analysis. Models were made with partial least square (PLS), support vector machine (SVM), and support vector regression (SVR) analyses. PLS modeling to predict the Unified Parkinson’s Disease Rating Scale part 3 (UPDRS3), representing motor deficits in PD, with all the detected mass numbers yielded 50 mass numbers with high PLS coefficients. the mass nine mass numbers (m/e 48, 63, 67, 70, 81, 93, 96, 104, and 105) had dependable signal-to-noise ratios. We then generated an SVM model to differentiate PD and controls. Our SVM model had a sensitivity of 90.2% and a specificity of 85.2% by leave-one-out cross-validation (LOOCV) analysis. We next generated an SVR model to predict UPDRS3 with the nine mass numbers, and obtained a Pearson’s correlation coefficient of 0.834. LOOCV analysis of our SVR model similarly gave rise to a correlation coefficient of 0.710. We propose that chemical substances in the skin gas potentially serve as biomarkers for PD.","PeriodicalId":91226,"journal":{"name":"Chromatography (Basel)","volume":" ","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2019-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.15583/jpchrom.2019.014","citationCount":"2","resultStr":"{\"title\":\"Application of Skin Gas GC/MS Analysis for Prediction of the Severity Scale of Parkinson’s Disease\",\"authors\":\"T. Tsuda, Tomoaki Nonome, Sae Goto, Jun-ichi Takeda, M. Tsunoda, M. Hirayama, K. Ohno\",\"doi\":\"10.15583/jpchrom.2019.014\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Parkinson’s disease (PD) is diagnosed by neurological examinations, as well as by scintigraphy for the dopamine transporter and metaiodobenzylguanidine (MIBG). We studied possible application of the skin gas in diagnosis of PD. We analyzed chemical substances emanated from the skin by gas chromatograph/mass spectrometer (GC/MS) after on-line-pre-concentrator. We analyzed the skin gas in 61 PD patients and 61 controls. The GC/MS chromatograms were sectionalized every 30 sec. The retention time drift was shifted every 5 sec, and a similarity coefficient (Z score) between a reference chromatogram and each shifted chromatogram was calculated. Chromatograms with high Z scores were excluded from our analysis. Models were made with partial least square (PLS), support vector machine (SVM), and support vector regression (SVR) analyses. PLS modeling to predict the Unified Parkinson’s Disease Rating Scale part 3 (UPDRS3), representing motor deficits in PD, with all the detected mass numbers yielded 50 mass numbers with high PLS coefficients. the mass nine mass numbers (m/e 48, 63, 67, 70, 81, 93, 96, 104, and 105) had dependable signal-to-noise ratios. We then generated an SVM model to differentiate PD and controls. Our SVM model had a sensitivity of 90.2% and a specificity of 85.2% by leave-one-out cross-validation (LOOCV) analysis. We next generated an SVR model to predict UPDRS3 with the nine mass numbers, and obtained a Pearson’s correlation coefficient of 0.834. LOOCV analysis of our SVR model similarly gave rise to a correlation coefficient of 0.710. We propose that chemical substances in the skin gas potentially serve as biomarkers for PD.\",\"PeriodicalId\":91226,\"journal\":{\"name\":\"Chromatography (Basel)\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-10-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.15583/jpchrom.2019.014\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chromatography (Basel)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.15583/jpchrom.2019.014\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chromatography (Basel)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.15583/jpchrom.2019.014","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2

摘要

帕金森病(PD)是通过神经系统检查以及多巴胺转运蛋白和间碘苄基胍(MIBG)的闪烁扫描来诊断的。我们研究了皮肤气体在帕金森病诊断中的可能应用。我们用在线预浓缩器后的气相色谱/质谱仪(GC/MS)分析了皮肤中的化学物质。我们分析了61名帕金森病患者和61名对照者的皮肤气体。GC/MS色谱图每30秒切片一次。保留时间漂移每5秒偏移一次,并计算参考色谱图和每个偏移色谱图之间的相似系数(Z分数)。具有高Z分数的色谱图被排除在我们的分析之外。通过偏最小二乘(PLS)、支持向量机(SVM)和支持向量回归(SVR)分析建立模型。预测统一帕金森病评定量表第3部分(UPDRS3)的PLS建模,代表帕金森病的运动缺陷,所有检测到的质量数产生了50个具有高PLS系数的质量数。质量9个质量数(m/e48,63,67,81,96,104,105)具有可靠的信噪比。然后,我们生成了一个SVM模型来区分PD和对照。通过留一交叉验证(LOOCV)分析,我们的SVM模型的敏感性为90.2%,特异性为85.2%。接下来,我们生成了一个SVR模型来预测具有九个质量数的UPDRS3,并获得了0.834的Pearson相关系数。我们的SVR模型的LOOCV分析同样得出了0.710的相关系数。我们提出,皮肤气体中的化学物质有可能成为帕金森病的生物标志物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Application of Skin Gas GC/MS Analysis for Prediction of the Severity Scale of Parkinson’s Disease
Parkinson’s disease (PD) is diagnosed by neurological examinations, as well as by scintigraphy for the dopamine transporter and metaiodobenzylguanidine (MIBG). We studied possible application of the skin gas in diagnosis of PD. We analyzed chemical substances emanated from the skin by gas chromatograph/mass spectrometer (GC/MS) after on-line-pre-concentrator. We analyzed the skin gas in 61 PD patients and 61 controls. The GC/MS chromatograms were sectionalized every 30 sec. The retention time drift was shifted every 5 sec, and a similarity coefficient (Z score) between a reference chromatogram and each shifted chromatogram was calculated. Chromatograms with high Z scores were excluded from our analysis. Models were made with partial least square (PLS), support vector machine (SVM), and support vector regression (SVR) analyses. PLS modeling to predict the Unified Parkinson’s Disease Rating Scale part 3 (UPDRS3), representing motor deficits in PD, with all the detected mass numbers yielded 50 mass numbers with high PLS coefficients. the mass nine mass numbers (m/e 48, 63, 67, 70, 81, 93, 96, 104, and 105) had dependable signal-to-noise ratios. We then generated an SVM model to differentiate PD and controls. Our SVM model had a sensitivity of 90.2% and a specificity of 85.2% by leave-one-out cross-validation (LOOCV) analysis. We next generated an SVR model to predict UPDRS3 with the nine mass numbers, and obtained a Pearson’s correlation coefficient of 0.834. LOOCV analysis of our SVR model similarly gave rise to a correlation coefficient of 0.710. We propose that chemical substances in the skin gas potentially serve as biomarkers for PD.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Determination of L-Carnitine and Acetyl-L-carnitine in Aspergillus oryzae- Fermented Rice Bran Product by Hydrophobic Derivatization–LC/ESI-MS/MS Development of Systematic Separation Method of the Ingredients Containing in Crude Aloin Using Countercurrent Chromatography Current Bioanalysis of Molecularly Targeted Drugs Using Liquid Chromatography–Tandem Mass Spectrometry Residual Analysis of Aflatoxin M1 in Cheese by HPLC Coupled with Solid Phase Dispersive Extraction and Solid-Phase Fluorescence Derivatization Method, and Its Accuracy Management for Method Validation Effects of Enteral Formulas and Their Food Protein and Dietary Fiber Components on Postprandial Plasma Warfarin Concentration in Rats
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1