Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating

ABSTRACT: Objective To establish early detection and diagnosis for bladder cancer.Methods In the current study, a metabolomics strategy was used to profile bladder cancer urine metabolites in mice and to further characterize the disease status at different stages. In addition, some chemometrics algo...

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Main Authors: You QIN, Lin CHEN, Jian-Hua HUANG, Shui-Han ZHANG, Zuo-Wei XIAO
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2018-09-01
Series:Digital Chinese Medicine
Online Access:http://www.sciencedirect.com/science/article/pii/S258937771930028X
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author You QIN
Lin CHEN
Jian-Hua HUANG
Shui-Han ZHANG
Zuo-Wei XIAO
author_facet You QIN
Lin CHEN
Jian-Hua HUANG
Shui-Han ZHANG
Zuo-Wei XIAO
author_sort You QIN
collection DOAJ
description ABSTRACT: Objective To establish early detection and diagnosis for bladder cancer.Methods In the current study, a metabolomics strategy was used to profile bladder cancer urine metabolites in mice and to further characterize the disease status at different stages. In addition, some chemometrics algorithms were adopted to analyze the metabolites fingerprints, including baseline removal and retention time shift, to overcome variations in the experimental process. After processing, metabolites were qualitatively and quantitatively analyzed in each sample at different stages. Finally, a random forest algorithm was used to discriminate the differences among different groups.Results Four potential biomarkers, including glyceric acid, (R*,R*)-2,3-Dihydroxybutanoic acid, N-(1-oxohexyl)-glycine and D-Turanose, were discovered by exploring the characteristics of different groups.Conclusion These results suggest that combining chemometrics with the metabolites profile is an effective approach to aid in clinical diagnosis. Keywords: Metabolic fingerprints, Chemometrics approaches, Data analysis, Bladder cancer
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spelling doaj.art-79fb1b6f3cfc4f5fab4acd667fe57df42022-12-21T19:28:11ZengKeAi Communications Co., Ltd.Digital Chinese Medicine2589-37772018-09-0113211218Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages DifferentiatingYou QIN0Lin CHEN1Jian-Hua HUANG2Shui-Han ZHANG3Zuo-Wei XIAO4Hunan University of Chinese Medicine, Changsha, Hunan 410208, ChinaInstitute of Chinese Materia Medica, Hunan Academy of Chinese Medicine, Changsha, Hunan 410013, ChinaInstitute of Chinese Materia Medica, Hunan Academy of Chinese Medicine, Changsha, Hunan 410013, China; 2011 Collaboration and Innovation Center for Digital Chinese Medicine in Hunan, Changsha, Hunan 410208, ChinaHunan University of Chinese Medicine, Changsha, Hunan 410208, China; Institute of Chinese Materia Medica, Hunan Academy of Chinese Medicine, Changsha, Hunan 410013, China; 2011 Collaboration and Innovation Center for Digital Chinese Medicine in Hunan, Changsha, Hunan 410208, China; Corresponding author: Shui-Han ZHANG, Researcher. Research direction: Feature Chinese medicine resources comprehensive development and application. E-mail: zhangshuihan0220@126.com.Hunan University of Chinese Medicine, Changsha, Hunan 410208, China; Zuo-Wei XIAO, Associate Professor. Research direction: Function food development and application. E-mail: 574512660@qq.com. Peer review under the responsibility of Hunan University of Chinese Medicine.ABSTRACT: Objective To establish early detection and diagnosis for bladder cancer.Methods In the current study, a metabolomics strategy was used to profile bladder cancer urine metabolites in mice and to further characterize the disease status at different stages. In addition, some chemometrics algorithms were adopted to analyze the metabolites fingerprints, including baseline removal and retention time shift, to overcome variations in the experimental process. After processing, metabolites were qualitatively and quantitatively analyzed in each sample at different stages. Finally, a random forest algorithm was used to discriminate the differences among different groups.Results Four potential biomarkers, including glyceric acid, (R*,R*)-2,3-Dihydroxybutanoic acid, N-(1-oxohexyl)-glycine and D-Turanose, were discovered by exploring the characteristics of different groups.Conclusion These results suggest that combining chemometrics with the metabolites profile is an effective approach to aid in clinical diagnosis. Keywords: Metabolic fingerprints, Chemometrics approaches, Data analysis, Bladder cancerhttp://www.sciencedirect.com/science/article/pii/S258937771930028X
spellingShingle You QIN
Lin CHEN
Jian-Hua HUANG
Shui-Han ZHANG
Zuo-Wei XIAO
Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
Digital Chinese Medicine
title Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
title_full Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
title_fullStr Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
title_full_unstemmed Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
title_short Chemometrics-aided Metabolic Fingerprint Method Applied in Bladder Cancer Stages Differentiating
title_sort chemometrics aided metabolic fingerprint method applied in bladder cancer stages differentiating
url http://www.sciencedirect.com/science/article/pii/S258937771930028X
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AT jianhuahuang chemometricsaidedmetabolicfingerprintmethodappliedinbladdercancerstagesdifferentiating
AT shuihanzhang chemometricsaidedmetabolicfingerprintmethodappliedinbladdercancerstagesdifferentiating
AT zuoweixiao chemometricsaidedmetabolicfingerprintmethodappliedinbladdercancerstagesdifferentiating