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基于傅里叶变换红外光谱和拉曼光谱关联的高低水平融合的生前死后骨折识别协议。

Ante- and Post-Mortem Fracture Identification Protocol Based on Low- and High-Level Fusion Using Fourier Transform Infrared Spectroscopy and Raman Spectroscopy Association.

机构信息

Department of Forensic Pathology, College of Forensic Medicine, Xi'an Jiaotong University, Xi'an, China.

Department of Forensic Medicine, Faculty of Basic Medical Sciences, Chongqing Medical University, Chongqing, China.

出版信息

Appl Spectrosc. 2024 Jun;78(6):605-615. doi: 10.1177/00037028241231994. Epub 2024 Feb 25.

DOI:10.1177/00037028241231994
PMID:38404185
Abstract

In this study, the application of low-level fusion (LLF) and high-level fusion (HLF) strategies using a combination of Fourier transform infrared spectroscopy (FT-IR) and Raman spectroscopy in the identification of antemortem and postmortem fracture at different postmortem intervals (PMIs) was investigated. On a technical level, the same hard tissue sample can be detected using a mix of FT-IR and Raman techniques. At the method level, two cutting-edge chemometrics approaches (LLF and HLF) combining FT-IR and Raman spectroscopic data are explored. The models were ranked in accordance with their parametric quality as follows: HLF and LLF + HLF models > LLF single model > Raman single model > FT-IR single model. The LLF model performed marginally better than the Raman model, however, when compared to other models, the HLF model performed considerably better. The HLF model achieved the best performance, with both cross-validation accuracy and test data set accuracy of 0.88. The importance of the feature wavelengths in the model construction process was subsequently evaluated by intersection fusion, and it was found that the absorbance bands of amide I, PO ν ν and CH in FT-IR and phenylalanine, CO ν- PO ν, and amide III in Raman have outstanding contributions to the construction of antemortem and postmortem fractures identification models. Overall, the combination of FT-IR and Raman with the HLF strategy is a novel and promising approach for developing antemortem and postmortem fracture identification models at different PMIs.

摘要

在这项研究中,研究了使用傅里叶变换红外光谱(FT-IR)和拉曼光谱相结合的低水平融合(LLF)和高水平融合(HLF)策略在不同死后间隔(PMI)下识别生前和死后骨折的应用。从技术层面上讲,可以使用 FT-IR 和拉曼技术的组合来检测同一硬组织样本。在方法层面上,探索了两种最先进的化学计量学方法(LLF 和 HLF),结合了 FT-IR 和拉曼光谱数据。这些模型按照其参数质量进行了排名,如下所示:HLF 和 LLF+HLF 模型>LLF 单模型>拉曼单模型>FT-IR 单模型。LLF 模型的性能略优于拉曼模型,但与其他模型相比,HLF 模型的性能要好得多。HLF 模型的表现最佳,交叉验证准确率和测试数据集准确率均为 0.88。随后通过交叉融合评估了模型构建过程中特征波长的重要性,发现 FT-IR 中酰胺 I、PO ν ν 和 CH 的吸光度带以及拉曼中苯丙氨酸、CO ν-PO ν 和酰胺 III 对构建生前和死后骨折识别模型具有突出贡献。总的来说,FT-IR 和拉曼与 HLF 策略的结合为开发不同 PMI 下的生前和死后骨折识别模型提供了一种新颖而有前途的方法。

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