Early Diagnosis of Lung Cancer Based on Breath Specific VOCs Screening and Model Assessment

RU Li-hua; LÜ Wei; WANG Xiang-qi; ZHANG Zhi-juan

doi:10.19969/j.fxcsxb.22111401

您当前的位置：

首页 >

文章列表页 >

Early Diagnosis of Lung Cancer Based on Breath Specific VOCs Screening and Model Assessment

Scientific Papers | 更新时间：2023-04-17

- Early Diagnosis of Lung Cancer Based on Breath Specific VOCs Screening and Model Assessment
- Journal of Instrumental Analysis Vol. 42, Issue 3, Pages: 275-282(2023)
- 作者机构：
  
  1.河南中医药大学药学院，河南郑州 450046
  2.河南中医药大学第三附属医院肿瘤科，河南郑州 450046
  3.暨南大学质谱仪器与大气环境研究所，广东广州 510632
- 作者简介：
- 基金信息：
- DOI：10.19969/j.fxcsxb.22111401
  CLC：
扫描看全文
茹立华,吕伟,王祥麒等.基于呼气中特异性VOCs筛查的肺癌早期诊断与模型评估[J].分析测试学报,2023,42(03):275-282.

RU Li-hua,LÜ Wei,WANG Xiang-qi,et al.Early Diagnosis of Lung Cancer Based on Breath Specific VOCs Screening and Model Assessment[J].Journal of Instrumental Analysis,2023,42(03):275-282.
茹立华,吕伟,王祥麒等.基于呼气中特异性VOCs筛查的肺癌早期诊断与模型评估[J].分析测试学报,2023,42(03):275-282. DOI： 10.19969/j.fxcsxb.22111401.

RU Li-hua,LÜ Wei,WANG Xiang-qi,et al.Early Diagnosis of Lung Cancer Based on Breath Specific VOCs Screening and Model Assessment[J].Journal of Instrumental Analysis,2023,42(03):275-282. DOI： 10.19969/j.fxcsxb.22111401.

摘要

采用气相色谱－质谱联用仪（GC－MS）检测了180例受试者的呼出气样品，包括79名肺癌患者和101名健康志愿者。每个受试者采集3个平行样品，以及1个室内空气样品。对所有呼气样品中检测的92种挥发性有机物（VOCs）进行定量分析。结合Mann－Whitney检验和正交偏最小二乘判别分析（OPLS－DA）模型筛选出10种肺癌患者呼气特异性VOCs，包括苯甲醛、顺式-2-丁烯、2-丁酮、萘、乙酸乙烯酯、乙烯、2，2，4-三甲基戊烷、3-甲基戊烷、己醛和2-甲基戊烷。利用统计学方法研究其在不同人群中的代谢差异和可能相关的代谢机制，通过建立机器学习模型验证候选标志物对疾病的诊断性能，结果显示，随机森林模型诊断的准确度、精准率、灵敏度和特异性分别为96.25%、96.21%、95.76%、96.67%，马修斯相关系数（MCC）为0.93，曲线下面积为0.96。上述10种化合物可作为肺癌患者的潜在呼气VOCs标志物，为肺癌的早期诊断提供了丰富的基础数据。

Abstract

A gas chromatography－mass spectrometry（GC－MS） was adopted to detect the breath samples of 180 subjects in this paper，including 79 patients with lung cancer and 101 healthy controls. A total of 92 volatile organic compounds（VOCs） were detected. Furthermore，10 potential characteristic VOCs for lung cancer patients were screened out by orthogonal partial least－squares discrimination analysis（OPLS－DA） model combined with Mann－Whitney test，including benzaldehyde，,cis,-2-butene，2-butanone，naphthalene，vinyl acetate，ethylene，2，2，4-trimethylpentane，3-methylpentane，hexanal and 2-methylpentane. Thereafter，the metabolic differences in different populations and possible related metabolic mechanisms were analyzed using statistical method. Then，the diagnostic performance of candidate breath VOC biomarkers for lung cancer were verified by establishing machine learning models. The results showed that，the diagnostic accuracy，precision，sensitivity and specificity of random forests were 96.25%，96.21%，95.76% and 96.67%，respectively，and the Matthews correlation coefficient（MCC） was 0.93，the area under ROC curve was 0.96. All the 10 compounds could be taken as the potential breath VOC biomarkers for discriminating lung cancer and health people，which have supplied rich basic data for early diagnosis of lung cancer.

关键词

肺癌挥发性有机物呼气标志物诊断模型气相色谱－质谱联用

Keywords

lung cancervolatile organic compoundsbreath biomarkersdiagnosis modelgas chromatography－mass spectrometry

references

Sung H，Ferlay J，Siegel R L，Laversanne M，Soerjomataram I，Jemal A，Bray F．Ca-Cancer J. Clin.，2021，71（3）：209－249.

Church T R，Black W C，Aberle D R，Berg C D，Clingan K L，Duan F，Fagerstrom R M，Gareen I F，Gierada D S，Jones G C，Mahon I，Marcus P M，Sicks J D，Jain A，Baum S．N. Engl. J. Med．，2013，368（21）：1980－1991.

Schreiber G，McCrory D C． Chest，2003，123（1 Suppl）：115S－128S.

Alberg A J，Brock M V，Ford J G，Samet J M，Spivack S D．Chest，2013，14（5）：E1－E29.

Alberg A J，Samet J M．Chest，2003，123（1 Suppl）：21S－49S.

Li W W，Dai W，Liu M X，Long Y J，Wang C Y，Xie S H，Liu Y L，Zhang Y C X，Shi Q L，Peng X Q，Liu Y F，Li Q，Duan Y X．BMJ Open，2019，9（8）：e028448.

Gouzerh F，Bessiere J M，Ujvari B，Thomas F，Dujon A M，Dormont L．Biochim. Biophys. Acta Rev. Cancer，2022，1877（1）：188644.

Gordon S M，Szidon J P，Krotoszynski B K，Gibbons R D，O'Neill H J．Clin. Chem.，1985，31（8）：1278－1282.

Ratiu I A，Ligor T，Bocos－Bintintan V，Mayhew C A，Buszewski B．J. Clin. Med.，2020，10（1）：32.

Long Y J，Wang C Y，Wang T Z，Li W W，Dai W，Xie S H，Tian Y H，Liu M X，Liu Y F，Peng X Q，Liu Y L，Zhang Y C X，Wang R X，Li Q，Duan Y X．J. Breath Res.，2021，15（1）：016017.

Vadhwana B，Belluomo I，Boshier P R，Pavlou C，Spanel P，Hanna G B．Rapid Commun. Mass Spectrom.，2020，34（9）：e8706.

Lawal O，Ahmed W M，Nijsen T M E，Goodacre R，Fowler S J．Metabolomics，2017，13（10）：110.

Wang C，Sahay P．Sensors，2009，9（10）：8230－8262.

Tornqvist M．Environ. Health Perspect.，1994，102（Suppl 4）：157－160.

Buszewski B，Kesy M，Ligor T，Amann A．Biomed. Chromatogr.，2007，21（6）：553－566.

Adiguzel Y，Kulah H．Biosens. Bioelectron.，2015，65：121－138.

Monedeiro F，Monedeiro－Milanowski M，Ratiu I A，Brozek B，Ligor T，Buszewski B．Molecules，2021，26（6）：1789.

Zhang Z J，Wang H，Chen D，Li Q Q，Thai P，Gong D C，Li Y，Zhang C L，Gu Y G，Zhou L，Morawska L，Wang B G．Sci. Total Environ.，2017，584：1162－1174.

Janssens E，van Meerbeeck J P，Lamote K．Crit. Rev. Oncol. Hematol.，2020，153：103037.

Smirnova E，Mallow C，Muschelli J，Shao Y，Thiboutot J，Lam A，Rule A M，Crainiceanu C，Yarmus L．Transl. Lung Cancer Res.，2022，11（6）：1009－1018.

Tsou P H，Lin Z L，Pan Y C，Yang H C，Chang C J，Liang S K，Wen Y F，Chang C H，Chang L Y，Yu K L，Liu C J，Keng L T，Lee M R，Ko J C，Huang G H，Li Y K．Cancers，2021，13（6）：1431.

Xiang L J，Wu S H，Hua Q L，Bao C Y，Liu H．Front. Oncol.，2021，11：606915.

Issitt T，Wiggins L，Veysey M，Sweeney S T，Brackenbury W J，Redeker K．J. Breath Res.，2022，16（2）：024001.

Mochalski P，Sponring A，King J，Unterkofler K，Troppmair J，Amann A．Cancer Cell Int.，2013，13：72.

Li J，Peng Y L，Liu Y，Li W W，Jin Y，Tang Z T，Duan Y X．Clin. Chim. Acta，2014，436：59－67.

Monedeiro F，Dos Reis R B，Peria F M，Sares C T G，De Martinis B S．J. Breath Res.，2020，14（2）：026009.

Janfaza S，Khorsand B，Nikkhah M，Zahiri J．Biol. Methods Protoc.，2019，4（1）：bpz014.

Rizzo W B．Biochim. Biophys. Acta，2014，1841（3）：377－389.

Sun X H，Shao K，Wang T．Anal. Bioanal. Chem.，2016，408（11）：2759－2780.

Peled N，Barash O，Tisch U，Ionescu R，Broza Y Y，Ilouze M，Mattei J，Bunn P A，Hirsch F R，Haick H．Nanomed. Nanotechnol. Biol. Med.，2013，9（6）：758－766.

Habibagahi A，Alderman N，Kubwabo C．Anal. Methods，2020，12（35）：4276－4302.

Gaida A，Holz O，Nell C，Schuchardt S，Lavae－Mokhtari B，Kruse L，Boas U，Langejuergen J，Allers M，Zimmermann S，Vogelmeier C，Koczulla A R，Hohlfeld J M．J. Breath Res.，2016，10（2）：026006.

Pazo D Y．Nicotine Tob. Res.，2016，18（9）：1886－1894.

Views

下载量

CSCD

Alert me when the article has been cited

提交

Tools

Publicity Resources

Determination of 53 Semi-volatile Organic Compounds in Solid Waste by Gas Chromatography－Mass Spectrometry with Microwave Extraction and Solid Phase Extraction Column Purification

Simultaneous Determination of 9 Novel Synthetic Indazoles Cannabinoids in“E－cigarette Oil”by Gas Chromatography－Mass Spectrometry

Determination of Volatile Organic Compounds in Recycled Polyethylene Terephthalate by SPME/GC × GC－QTOF MS

Study on Rats Gender Difference by Liver Metabolic Profiling Based on GC－MS Metabolomics

Determination of Volatile Organic Compounds in PBAT Biodegradable Films by Headspace Solid-phase Microextraction Combined with GC×GC－TOF MS

Related Author

No data

Related Institution

Hunan Division of GRG Metrology and Test

Department of Forensic Science and Technology，Criminal Investigation Police University of China

Laboratory of Product Packaging and Logistics，Packaging Engineering Institute，Jinan University

Guangzhou Customs District Technology Center，National Reference Laboratory for Food Contact Material

Department of Laboratory Medicine， West China Hospital of Sichuan University

Address：100 Xianlie Middle Road, Guangzhou Postal code：510070
Tel：020-87684776,37656606 Fax：020-87684776 Email：fxcsxb@china.com
Technical support is provided by Beijing Founder electronics co., LTD 粤ICP备12017312号-3 京公网安备11010802024621
It is recommended to read the content of this site in Chrome&IE9+. Please switch to extreme mode in browser 360.
Cookies We use cookies to help provide and enhance our service and tailor content. By continuing, you agree to the use of cookies.

⁰