Luana Quadros de Souza Leão , Jelmir Craveiro de Andrade , Giovanna Melo Marques , Cristiane Cunha Guimarães , Rosyana de Fátima Vieira de Albuquerque , Alessandra Silva e Silva , Kamila Pereira de Araujo , Mikele Praia de Oliveira , Anderson Ferreira Gonçalves , Higino Felipe Figueiredo , Daniel Lourenço Lira , Marina Amaral Alves , Carlos Adam Conte-Junior , Priscila Ferreira de Aquino
{"title":"Rapid prediction of cervical cancer and high-grade precursor lesions: An integrated approach using low-field 1H NMR and chemometric analysis","authors":"Luana Quadros de Souza Leão , Jelmir Craveiro de Andrade , Giovanna Melo Marques , Cristiane Cunha Guimarães , Rosyana de Fátima Vieira de Albuquerque , Alessandra Silva e Silva , Kamila Pereira de Araujo , Mikele Praia de Oliveira , Anderson Ferreira Gonçalves , Higino Felipe Figueiredo , Daniel Lourenço Lira , Marina Amaral Alves , Carlos Adam Conte-Junior , Priscila Ferreira de Aquino","doi":"10.1016/j.cca.2025.120346","DOIUrl":null,"url":null,"abstract":"<div><div>Cervical cancer (CC) is a significant cause of morbidity and mortality in women, often preceded by high-grade cervical intraepithelial lesions (HSIL). Although conventional cytology (Pap smear) is widely used for screening, its sensitivity limitations and high false-positive rate reinforce the need for complementary methods. This study investigated the feasibility of low-field <sup>1</sup>H NMR spectroscopy combined with chemometric modeling to differentiate healthy individuals (CON) from patients with HSIL and CC. Principal Component Analysis (PCA) was applied to explore metabolic patterns and identify relevant spectral variables in group differentiation. PCA1 highlighted the separation between CC and the other groups, while PCA2 and PCA3 evidenced intermediate metabolic characteristics in HSIL, reinforcing its role as a transition stage. Three classification scenarios were evaluated using Data-Driven Soft Independent Modeling of Class Analogy (DD-SIMCA): (1) CON as target class, HSIL/CC as outclass classes; (2) HSIL as target class, CON as outclass class; and (3) CC as target class, CON as outclass class. Calibration was optimal (100 % SEN, SPE, ACC, MCC), and prediction showed higher efficacy in detecting CC (SPE = 100 %, MCC = 70 %), indicating that the model was more efficient in screening cervical cancer cases. Furthermore, low-field <sup>1</sup>H NMR has demonstrated potential as a metabolomic screening tool. It is a promising alternative due to its greater accessibility, lower operational cost, and non-invasive nature, complementing traditional methods of early detection of tumors and cervical lesions.</div></div>","PeriodicalId":10205,"journal":{"name":"Clinica Chimica Acta","volume":"574 ","pages":"Article 120346"},"PeriodicalIF":3.2000,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Clinica Chimica Acta","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009898125002256","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MEDICAL LABORATORY TECHNOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
Cervical cancer (CC) is a significant cause of morbidity and mortality in women, often preceded by high-grade cervical intraepithelial lesions (HSIL). Although conventional cytology (Pap smear) is widely used for screening, its sensitivity limitations and high false-positive rate reinforce the need for complementary methods. This study investigated the feasibility of low-field 1H NMR spectroscopy combined with chemometric modeling to differentiate healthy individuals (CON) from patients with HSIL and CC. Principal Component Analysis (PCA) was applied to explore metabolic patterns and identify relevant spectral variables in group differentiation. PCA1 highlighted the separation between CC and the other groups, while PCA2 and PCA3 evidenced intermediate metabolic characteristics in HSIL, reinforcing its role as a transition stage. Three classification scenarios were evaluated using Data-Driven Soft Independent Modeling of Class Analogy (DD-SIMCA): (1) CON as target class, HSIL/CC as outclass classes; (2) HSIL as target class, CON as outclass class; and (3) CC as target class, CON as outclass class. Calibration was optimal (100 % SEN, SPE, ACC, MCC), and prediction showed higher efficacy in detecting CC (SPE = 100 %, MCC = 70 %), indicating that the model was more efficient in screening cervical cancer cases. Furthermore, low-field 1H NMR has demonstrated potential as a metabolomic screening tool. It is a promising alternative due to its greater accessibility, lower operational cost, and non-invasive nature, complementing traditional methods of early detection of tumors and cervical lesions.
期刊介绍:
The Official Journal of the International Federation of Clinical Chemistry and Laboratory Medicine (IFCC)
Clinica Chimica Acta is a high-quality journal which publishes original Research Communications in the field of clinical chemistry and laboratory medicine, defined as the diagnostic application of chemistry, biochemistry, immunochemistry, biochemical aspects of hematology, toxicology, and molecular biology to the study of human disease in body fluids and cells.
The objective of the journal is to publish novel information leading to a better understanding of biological mechanisms of human diseases, their prevention, diagnosis, and patient management. Reports of an applied clinical character are also welcome. Papers concerned with normal metabolic processes or with constituents of normal cells or body fluids, such as reports of experimental or clinical studies in animals, are only considered when they are clearly and directly relevant to human disease. Evaluation of commercial products have a low priority for publication, unless they are novel or represent a technological breakthrough. Studies dealing with effects of drugs and natural products and studies dealing with the redox status in various diseases are not within the journal''s scope. Development and evaluation of novel analytical methodologies where applicable to diagnostic clinical chemistry and laboratory medicine, including point-of-care testing, and topics on laboratory management and informatics will also be considered. Studies focused on emerging diagnostic technologies and (big) data analysis procedures including digitalization, mobile Health, and artificial Intelligence applied to Laboratory Medicine are also of interest.