Hasan Mırsal, Zeynep Ceylan, Devrim Sarıbal, Joseph Cebulski, Joanna Depciuch, Zozan Guleken
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引用次数: 0
Abstract
Alcohol is one of the most widely used stimulants globally, with increasing consumption rates annually. Prolonged alcohol consumption leads to significant physiological and neurological changes, potentially resulting in various diseases, which could be detect in serum. Therefore, FT-Raman spectroscopy was used to measure chemical changes in the serum of heavy drinkers, and these results were compared with the serum composition of a control group of non-drinkers. Obtained results showed a significant increase in lipids and a decrease in the amide/lipid ratio after alcohol administration. Additionally, higher amide III/amide II and lower amide II/amide I ratios were observed in the serum of alcohol-addicted patients. These shifts of 892, 966, 1286, 1459 and 2940 cm−1 peaks indicate alterations in the protein-lipid balance due to alcohol consumption. Principal component analysis (PCA) was employed to further analyze the spectral data, with the first three principal components accounting for 95.36% of total data variability. A Bayesian-optimized k-nearest neighbor (BO-KNN) model was applied for classification. The optimal hyperparameters—two neighbors, correlation distance metric, and squared inverse distance weight—were determined after seven iterations, resulting in a remarkably low classification error of 0.0384. The BO-KNN model achieved training and test accuracies of 95.92% and 90.48%, respectively. Receiver operating characteristic (ROC) analysis showed an area under the curve (AUC) of 1.00 for the training set and 0.90 for the test set, demonstrating the model's high precision and robustness. In conclusion, FT-Raman spectroscopy effectively revealed significant chemical changes in the serum of alcohol-addicted individuals, providing valuable insights into the biochemical impact of alcohol consumption.
酒精是全球使用最广泛的兴奋剂之一,消费量每年都在增加。长期饮酒会导致显著的生理和神经变化,可能导致各种疾病,这些疾病可以在血清中检测到。因此,我们使用傅里叶变换拉曼光谱来测量重度饮酒者血清中的化学变化,并将这些结果与对照组非饮酒者的血清成分进行比较。获得的结果显示,在酒精给药后,脂质显著增加,酰胺/脂质比率下降。此外,在酒精成瘾患者的血清中观察到较高的酰胺III/酰胺II和较低的酰胺II/酰胺I比率。这些892、966、1286、1459和2940 cm−1峰的变化表明,由于饮酒,蛋白质-脂质平衡发生了变化。采用主成分分析(PCA)对光谱数据进行进一步分析,前3个主成分占数据总变率的95.36%。采用贝叶斯优化k近邻(BO-KNN)模型进行分类。经过7次迭代,确定了最优的超参数——两个邻居、相关距离度量和平方反距离权重,分类误差非常低,仅为0.0384。BO-KNN模型的训练准确率为95.92%,测试准确率为90.48%。受试者工作特征(Receiver operating characteristic, ROC)分析显示,训练集的曲线下面积(area under the curve, AUC)为1.00,测试集为0.90,表明模型具有较高的精度和鲁棒性。总之,ft -拉曼光谱有效地揭示了酒精成瘾个体血清中显著的化学变化,为酒精消费的生化影响提供了有价值的见解。
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.