基于表面增强拉曼散射技术检测唾液指纹图谱用于牙周炎筛查的研究

doi:10.13591/j.cnki.kqyx.2026.09.006

摘要/Abstract

摘要：

目的探讨应用表面增强拉曼散射(surface enhanced Raman scattering, SERS)检测唾液指纹图谱区分牙周炎患者与健康人群的可行性。方法选择26名健康志愿者及26例牙周炎患者为研究对象,记录患者一般资料,牙周探诊深度(probing depth,PD)、临床附着丧失(clinical attachment loss,CAL)和探诊出血(bleeding on probing,BOP)阳性位点百分比等牙周临床指数。采集唾液样本进行SERS检测,对获得的拉曼光谱进行主成分分析(principal component analysis,PCA)和正交偏最小二乘法判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA),并结合线性判别分析(linear discriminant analysis,LDA)进行评估。结果牙周炎患者PD、CAL、BOP阳性位点百分比均明显高于健康人群(P<0.001)。两组唾液样本在谷胱甘肽、DNA、色氨酸、鸟嘌呤、酪氨酸、肌酐、肌酸、胸腺嘧啶、N-乙酰氨基葡萄糖、CH₂形变等物质的拉曼峰强度存在差异。PCA结果提示两组样本的SERS指纹特征存在差异;OPLS-DA结果显示两组样本可明显区分;PCA-LDA模型区分健康人群训练集和测试集的正确率分别为91.67%、100.00%;区分牙周炎患者训练集和测试集的正确率均为100.00%。结论利用SERS及指纹图谱分析可以很好地识别并区分牙周炎患者的唾液样本,为牙周炎的临床初步筛查提供新的思路。

关键词: 表面增强拉曼散射, 牙周炎, 唾液

Abstract:

Objective To explore the feasibility of using surface enhanced Raman scattering (SERS) to distinguish the saliva of patients with periodontitis from healthy people. Methods A total of 26 healthy volunteers and 26 periodontitis patients were enrolled as study subjects. General demographic data, periodontal clinical indices including probing depth (PD), clinical attachment loss (CAL), and percentage of bleeding on probing (BOP) positive sites were recorded. Saliva samples were collected for SERS analysis, followed by principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) on the acquired Raman spectra. Linear discriminant analysis (LDA) was also performed for combined analysis. Results There were statistically significant differences in PD, CAL, and percentage of BOP positive sites between the two groups (P<0.001). There were differences in the Raman peak intensities of substances such as glutathione, DNA, tryptophan, guanine, tyrosine, creatinine, creatine, thymine, N-acetyl-D-glucosamine, and CH2 deformation between the two groups of saliva samples. PCA results indicated differences in SERS fingerprint characteristics between the two sample groups; OPLS-DA analysis demonstrated significant distinguishability between the two groups. The PCA-LDA model achieved distinguishing accuracy rates of 91.67% and 100.00% for the training and test sets of the healthy group, respectively, and 100.00% for the training and test sets of the periodontitis group, respectively. Conclusion The SERS combined with fingerprint analysis can effectively identify saliva samples from periodontitis patients, providing a novel approach for preliminary clinical screening of periodontitis.

Key words: surface enhanced Raman scattering, periodontitis, saliva

中图分类号:

R781.4

石茜, 燕珂, 张丽颖, 王晓茜. 基于表面增强拉曼散射技术检测唾液指纹图谱用于牙周炎筛查的研究[J]. 口腔医学, 2026, 46(9): 677-683.

SHI Qian, YAN Ke, ZHANG Liying, WANG Xiaoqian. Study on detection of saliva fingerprint spectrum based on surface enhanced Raman scattering technology for screening of periodontitis[J]. Stomatology, 2026, 46(9): 677-683.

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组别	PD/mm	CAL/mm	BOP阳性位点百分比
牙周炎组	2.25(2.09,2.72)	0.28(0.09,1.10)	9.84(5.88,13.99)
健康组	1.53(1.23,1.67)	0	2.98(2.23,6.10)
U	21.00	0	126.50
Z	-5.80	-6.63	-3.88
P	<0.001	<0.001	<0.001

拉曼位移/cm^-1	牙周炎组	健康组	P
458	0.45(0.42,0.49)	0.47(0.45,0.49)	0.02
498	0.54(0.50,0.59)	0.49(0.47,0.52)	<0.01
566	0.51(0.50,0.55)	0.49(0.47,0.51)	0.02
603	0.48(0.46,0.50)	0.47(0.46,0.49)	0.18
648	0.49±0.03	0.47±0.02	0.01
684	0.47±0.04	0.44±0.03	<0.01
746	0.60(0.57,0.62)	0.57(0.55,0.60)	0.03
1 144	0.49±0.07	0.46±0.06	0.15
1 184	0.46±0.05	0.44±0.04	0.09
1 243	0.44(0.40,0.46)	0.44(0.40,0.49)	0.26
1 269	0.44(0.40,0.46)	0.44(0.40,0.49)	0.26
1 316	0.48±0.09	0.49±0.04	0.85
1 361	0.48±0.07	0.54±0.05	<0.01
1 461	0.47±0.03	0.45±0.04	0.01
1 587	0.50±0.08	0.50±0.09	0.81

拉曼位移/cm^-1	物质归属
448~461	谷胱甘肽^[18]
498	DNA^[19]
566	色氨酸^[20]
603	类固醇^[21]
640~675	鸟嘌呤、酪氨酸^[17]
684	肌酐、肌酸^[14]
746	胸腺嘧啶^[22]
1 144	蛋白质^[23]
1 150~1 186	环结构、芳香族氨基酸、蛋白质^[17]
1 215~1 295	酰胺Ⅲ(随机)、胸腺嘧啶^[17]
1 269	酰胺Ⅲ^[22]
1 315~1 325	酰胺Ⅲ(蛋白质)、C—H形变^[17]
1 361	N-乙酰氨基葡萄糖^[24]
1 440~1 475	CH₂形变^[17]
1 587	L-缬氨酸^[24]