{"title":"衰减全反射傅里叶变换红外光谱法鉴别早期慢性肾病患者尿液红外光谱生物标志物","authors":"Patipat Rachawangmuang , Patutong Chatchawal , Patcharaporn Tippayawat , Apinya Jusakul , Ratthapol Kraiklang , Worachart Lert-itthiporn , Anuchin Najermploy , Molin Wongwattanakul","doi":"10.1016/j.cca.2025.120665","DOIUrl":null,"url":null,"abstract":"<div><div>Chronic Kidney Disease (CKD) is a highly prevalent non-communicable disorder lacking a gold standard method for diagnosis. Early-stage CKD remains undiagnosed and untreated leading to the disease progression. The study aimed to discriminate urine samples from CKD patients and healthy groups using an ATR-FTIR spectrometer. Forty-five healthy and a hundred CKD urine samples were included. Five replicates of three microliters of urine were dropped onto a crystal and air-dried as a film on a portable ATR-FTIR spectrometer. Spectra were analyzed using multivariate analysis combined with machine learning. The PCA scores plot showed the discrimination of the CKD group, both early and late stage, from healthy in the C<img>H and fingerprint regions. For a screening approach, machine learning were introduced to the healthy and early-stage CKD samples. Prediction models were generated using six machine learning models. The neural networks (NN) model demonstrating the best performance, achieving 85 % sensitivity, 73 % specificity and 77 % accuracy on test dataset. Thus, ATR-FTIR data combined with machine learning shows potential as a medical tool with high performance for screening minimal urine volumes of CKD patients.</div></div>","PeriodicalId":10205,"journal":{"name":"Clinica Chimica Acta","volume":"579 ","pages":"Article 120665"},"PeriodicalIF":2.9000,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discrimination of urine infrared spectral biomarkers for early-stage chronic kidney disease patients using attenuated total reflectance fourier transform infrared spectrometry\",\"authors\":\"Patipat Rachawangmuang , Patutong Chatchawal , Patcharaporn Tippayawat , Apinya Jusakul , Ratthapol Kraiklang , Worachart Lert-itthiporn , Anuchin Najermploy , Molin Wongwattanakul\",\"doi\":\"10.1016/j.cca.2025.120665\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Chronic Kidney Disease (CKD) is a highly prevalent non-communicable disorder lacking a gold standard method for diagnosis. Early-stage CKD remains undiagnosed and untreated leading to the disease progression. The study aimed to discriminate urine samples from CKD patients and healthy groups using an ATR-FTIR spectrometer. Forty-five healthy and a hundred CKD urine samples were included. Five replicates of three microliters of urine were dropped onto a crystal and air-dried as a film on a portable ATR-FTIR spectrometer. Spectra were analyzed using multivariate analysis combined with machine learning. The PCA scores plot showed the discrimination of the CKD group, both early and late stage, from healthy in the C<img>H and fingerprint regions. For a screening approach, machine learning were introduced to the healthy and early-stage CKD samples. Prediction models were generated using six machine learning models. The neural networks (NN) model demonstrating the best performance, achieving 85 % sensitivity, 73 % specificity and 77 % accuracy on test dataset. Thus, ATR-FTIR data combined with machine learning shows potential as a medical tool with high performance for screening minimal urine volumes of CKD patients.</div></div>\",\"PeriodicalId\":10205,\"journal\":{\"name\":\"Clinica Chimica Acta\",\"volume\":\"579 \",\"pages\":\"Article 120665\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-10-14\",\"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/S0009898125005443\",\"RegionNum\":3,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MEDICAL LABORATORY TECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Clinica Chimica Acta","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009898125005443","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MEDICAL LABORATORY TECHNOLOGY","Score":null,"Total":0}
Discrimination of urine infrared spectral biomarkers for early-stage chronic kidney disease patients using attenuated total reflectance fourier transform infrared spectrometry
Chronic Kidney Disease (CKD) is a highly prevalent non-communicable disorder lacking a gold standard method for diagnosis. Early-stage CKD remains undiagnosed and untreated leading to the disease progression. The study aimed to discriminate urine samples from CKD patients and healthy groups using an ATR-FTIR spectrometer. Forty-five healthy and a hundred CKD urine samples were included. Five replicates of three microliters of urine were dropped onto a crystal and air-dried as a film on a portable ATR-FTIR spectrometer. Spectra were analyzed using multivariate analysis combined with machine learning. The PCA scores plot showed the discrimination of the CKD group, both early and late stage, from healthy in the CH and fingerprint regions. For a screening approach, machine learning were introduced to the healthy and early-stage CKD samples. Prediction models were generated using six machine learning models. The neural networks (NN) model demonstrating the best performance, achieving 85 % sensitivity, 73 % specificity and 77 % accuracy on test dataset. Thus, ATR-FTIR data combined with machine learning shows potential as a medical tool with high performance for screening minimal urine volumes of CKD patients.
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.