Exploring the impact of opioids on serum chemistry: Insights from FT-Raman spectroscopy and biochemical analysis

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL
Zeynep Ceylan , Devrim Sarıbal , Hasan Mırsal , Joanna Depciuch , Joseph Cebulski , Zozan Guleken
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Abstract

Opioids are drugs whose use has increased dramatically over the last two decades. Opioids are a family of drugs that includes the illegal drug heroin, synthetic opioids such as fentanyl, and painkillers that are legally available on prescription. Unfortunately, too long use of these drugs can lead to addiction, which might cause disturbed physiological and mental effects. Regular opioid usage might cause common mental disorders such as depression, anxiety, and panic disorder. However, there is still no rapid detection method to describe the chemical changes caused by the Opioid use disorder. For this reason, this study used conventional FT-Raman spectroscopic techniques with multivariate analysis to detect chemical changes in serum following opiate administration. In the FT-Raman spectrum collected from opioid-addicted patients, significant shifts of peaks at 892 cm−1, 966 cm−1, 1286 cm−1, 1459 cm−1 and 2940 cm−1 were visible in comparison with the spectrum of serum collected from the control group. Furthermore, changes in the ratio of amides and lipids were observed in the non-control group, suggesting that opioids could cause structural changes in the compounds. Synchronous spectra show auto peaks at 2914 cm−1, 3415 cm−1 while asynchronous negative cross area between 1005 cm−1 and 1800 cm−1 and around 3000 cm−1 indicate higher presence of polysaccharides and amides in comparison with other compounds in serum collected from non-control group. Finally, the PCA model, utilizing three components that explain 94.89 % of the data variation within the 300–3700 cm⁻¹ range, demonstrates excellent performance. The ensemble classification method achieves accuracies of 97.96 % and 95.00 % on the training and test datasets, respectively. Furthermore, the method achieves AUC-ROC scores of 1.00 and 0.99 for the training and test sets, effectively distinguishing between control and opioid-addicted individuals.
探索阿片类药物对血清化学的影响:傅立叶变换拉曼光谱和生化分析的启示
阿片类药物的使用在过去二十年中急剧增加。阿片类药物是一个药物家族,包括非法药物海洛因、合成阿片类药物(如芬太尼)和合法处方止痛药。不幸的是,长期使用这些药物会导致成瘾,并可能对生理和心理造成不良影响。经常使用阿片类药物可能会导致常见的精神障碍,如抑郁症、焦虑症和恐慌症。然而,目前仍没有快速检测方法来描述阿片类药物使用障碍所引起的化学变化。因此,本研究采用传统的傅立叶变换拉曼光谱技术和多元分析方法来检测服用阿片类药物后血清中的化学变化。在阿片类药物成瘾患者的傅立叶变换拉曼光谱中,与对照组血清光谱相比,892 厘米-1、966 厘米-1、1286 厘米-1、1459 厘米-1 和 2940 厘米-1 处的峰值发生了明显的移动。此外,在非对照组中观察到酰胺和脂质的比例发生了变化,这表明阿片类药物可能导致化合物的结构发生变化。同步光谱在 2914 厘米-1 和 3415 厘米-1 处显示自动峰,而 1005 厘米-1 和 1800 厘米-1 之间以及 3000 厘米-1 附近的非同步负交叉区表明,与其他化合物相比,非对照组血清中存在更多的多糖和酰胺。最后,PCA 模型利用三个成分解释了 300-3700 cm-¹ 范围内 94.89 % 的数据变化,表现出色。在训练数据集和测试数据集上,集合分类法的准确率分别达到 97.96 % 和 95.00 %。此外,该方法在训练集和测试集上的 AUC-ROC 分数分别为 1.00 和 0.99,能有效区分对照组和阿片类药物成瘾组。
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来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
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