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Selective Electrochemical Discrimination of 3’ IsomiRs Differing by Two Nucleotides 两个核苷酸不同的3′异构体的选择性电化学鉴别
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-26 DOI: 10.1039/d5an01292a
Julio Ojeda, Nicholas Bruno, Karen Cover, Wencai Zhang, Karin Chumbimuni-Torres
MicroRNAs and isomiRs are promising biomarkers for the detection of diseases such as cancers, but distinguishing the highly similar microRNAs sequences between these remains challenging. We report a five-strand four-way junction (5S-4WJ) electrochemical biosensor that combines universal reporter strands with target-specific probes for modular, low-cost design.The system discriminates miR-146b from its isomiR (R+2, +2 nt at 3′ end) by tuning probe length, introducing mismatches, and controlling hybridization kinetics. This strategy yields sevenfold higher sensitivity for R+2 while maintaining specificity at 10-50 nM. Compared to existing electrochemical biosensors, which struggle or do not test targets with extra nts at either 5' nor 3' , the 5S-4WJ enables precise isomiR detection, advancing nucleic acid diagnostics.
MicroRNAs和isomir是检测癌症等疾病的有希望的生物标志物,但是区分它们之间高度相似的MicroRNAs序列仍然具有挑战性。我们报道了一种五股四路结(5S-4WJ)电化学生物传感器,该传感器结合了通用报告链和目标特异性探针,用于模块化,低成本设计。该系统通过调整探针长度、引入错配和控制杂交动力学来区分miR-146b和它的isomiR (R+2, +2 nt在3 '端)。该策略对R+2的灵敏度提高了7倍,同时保持了10-50 nM的特异性。与现有的电化学生物传感器相比,现有的电化学生物传感器在5‘或3’处都很难或无法测试额外的目标,而5S-4WJ能够精确地检测异质分子,从而推进核酸诊断。
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引用次数: 0
Anti-Interference Near-Infrared SERS Tag-Aptamer Sensor for Rapid Detection of Staphylococcus aureus in Complex Matrices 复杂基质中金黄色葡萄球菌的抗干扰近红外SERS标签-适体传感器
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-26 DOI: 10.1039/d5an01324k
Rui Zhao, Qishuo Wang, Yunqing Wang, Rongchao Mei, Xiaoyan Wang, Lingxin Chen
Rapid detection of bacteria in complex matrices remains challenging due to substantial interference in signal readout. This study developed a novel near-infrared (NIR) surface-enhanced Raman scattering (SERS) sensor featuring exceptional anti-interference capability, achieved by encapsulating SERS tags with a carboxylated polystyrene shell and integrating them with a specific aptamer. The functional PS shell provides reliable physical protection and enables stable covalent bioconjugation, effectively overcoming the limitations of traditional thiol chemistry. Leveraging NIR excitation for minimal background interference, the sensor operates through a target-induced strand displacement mechanism that releases SERS tags upon bacterial binding. After magnetic separation, quantitative analysis is accomplished by directly measuring the SERS signal in the supernatant. Using Staphylococcus aureus as the model bacterium, the method demonstrated outstanding performance in diverse complex matrices including seawater, serum, milk, and traditional Chinese medicine preparations, with a detection limit of 10 CFU/mL and recoveries ranging from 89.96% to 110.6%. This work presents a robust and matrix-adaptive sensing strategy for rapid bacterial detection in complex environments.
由于信号读出中存在大量干扰,复杂基质中细菌的快速检测仍然具有挑战性。本研究开发了一种新型的近红外(NIR)表面增强拉曼散射(SERS)传感器,具有卓越的抗干扰能力,通过将SERS标签封装在羧化聚苯乙烯外壳中并将其与特定的适配体集成来实现。功能PS壳提供可靠的物理保护,实现稳定的共价生物偶联,有效克服传统硫醇化学的局限性。利用近红外激发最小的背景干扰,传感器通过目标诱导的链位移机制,在细菌结合时释放SERS标签。磁分离后,通过直接测量上清液中的SERS信号来完成定量分析。该方法以金黄色葡萄球菌为模型菌,在海水、血清、牛奶、中药制剂等多种复杂基质中均表现出色,检出限为10 CFU/mL,回收率为89.96% ~ 110.6%。这项工作提出了一种鲁棒和矩阵自适应传感策略,用于在复杂环境中快速检测细菌。
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引用次数: 0
Visualization of heated latent fingerprints by synchrotron radiation soft X-ray photoemission electron microscopy. 同步辐射软x射线光电子显微镜热潜影指纹的可视化研究。
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-23 DOI: 10.1039/d5an01158b
Satoru Hamamoto,Masahisa Takatsu,Hiroyuki Fujiwara,Hideya Okada,Takuo Ohkochi,Shimpei Watanabe,Masaki Oura,Yasuo Seto
Fingerprint testing is routine for personal identification, but damaged prints, such as those exposed to heat in fire cases, are difficult to visualize. Currently, there is no method available to visualize severely heat-damaged fingerprints. We developed a visualization technique using synchrotron radiation (SR) soft-X-ray photoemission electron microscopy (PEEM). Fingerprints on silicon, stainless steel, aluminum, brass, and glass were heated at 400 °C for an hour and then examined. Ridge patterns could not be seen by optical microscopy, laser microscopy, or scanning electron microscopy, except on silicon. Even then, SR PEEM revealed ridge patterns by detecting sodium particles (∼1 μm) clustered into 10 μm spots. Multiple images were combined to successfully produce a clear 5 mm-wide ridge pattern. For the glass substrate, prior titanium vapor deposition prevented electric discharge, resulting in a clear ridge pattern observation by SR PEEM. Unlike conventional methods, SR soft-X-ray PEEM detects sodium sensitively and specifically, producing clear ridge patterns in heat-damaged fingerprints, which is promising for advanced criminal fingerprint testing.
指纹测试是个人身份识别的常规方法,但受损的指纹,例如在火灾中暴露在高温下的指纹,很难可视化。目前,还没有方法可以可视化严重热损伤的指纹。我们开发了一种使用同步辐射(SR)软x射线光电发射电子显微镜(PEEM)的可视化技术。在硅、不锈钢、铝、黄铜和玻璃上的指纹在400°C下加热一小时,然后进行检查。除了在硅上,光学显微镜、激光显微镜或扫描电子显微镜都看不到脊状图案。即使这样,SR PEEM也通过检测聚集在10 μm点上的钠粒子(~ 1 μm)显示出脊状图案。将多幅图像组合在一起,成功地产生了一个清晰的5毫米宽的山脊图案。对于玻璃基板,先前的钛气相沉积阻止了放电,导致SR PEEM观察到清晰的脊状图案。与传统方法不同,SR软x射线PEEM对钠的检测灵敏度高,特异性强,在热损伤指纹中产生清晰的脊纹,有望用于高级犯罪指纹检测。
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引用次数: 0
3D-printed hollow microneedle-based electrochemical sensor for wireless glucose monitoring. 用于无线葡萄糖监测的3d打印空心微针电化学传感器。
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-23 DOI: 10.1039/d5an01058f
Chuchu Chen,Yonghao Fu,Yuehe Lin,Yun Liu,Dan Du,Kaiyan Qiu
Wearable electrochemical sensors have aroused tremendous attention due to their great potential for in situ and continuous assessment for glucose monitoring. The conventional fingerstick test is the easiest and most efficient method for glucose evaluation, but it is invasive and painful. Here we introduce a wearable and user-friendly microneedle-based electrochemical sensor, fabricated via resin 3D printing with an affordable desktop 3D printer and featuring a single-atom nanozyme-modified electrode, offering high sensitivity and superior selectivity for glucose monitoring. This minimally invasive electrochemical sensor demonstrates the capability to extract artificial interstitial fluid using hollow microneedles and a finger-activated pump, enabling continuous monitoring of dynamic glucose concentration changes. This electrochemical sensor exhibits remarkable sensitivity and selectivity, with a linear range of 0.1 μM to 50 mM and a limit of detection of 0.285 μM, attributed to the incorporation of single-atom nanozymes with peroxidase-like enzymatic activity. The glucose concentration data are wirelessly transmitted to a smartphone application in real time, offering user-friendly access and facilitating remote monitoring. The described electrochemical sensor presents the possibilities for point-of-care health monitoring applications.
可穿戴电化学传感器因其在血糖监测中具有巨大的原位连续评估潜力而引起了人们的广泛关注。传统的手指针刺试验是葡萄糖评估最简单、最有效的方法,但它是侵入性的、痛苦的。在这里,我们介绍了一种可穿戴的、用户友好的基于微针的电化学传感器,该传感器通过树脂3D打印与价格合理的台式3D打印机制造,具有单原子纳米酶修饰电极,为葡萄糖监测提供高灵敏度和优越的选择性。这种微创电化学传感器展示了利用空心微针和手指激活泵提取人工间质液的能力,能够连续监测动态葡萄糖浓度变化。该电化学传感器具有良好的灵敏度和选择性,线性范围为0.1 μM ~ 50 mM,检测限为0.285 μM,这主要是由于该传感器含有具有过氧化物酶样酶活性的单原子纳米酶。葡萄糖浓度数据实时无线传输到智能手机应用程序,提供用户友好的访问和方便的远程监控。所描述的电化学传感器提供了点护理健康监测应用的可能性。
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引用次数: 0
A Direct Comparison of Antibody and nanoMIP Affinities using Surface Plasmon Resonance and Electrochemical Techniques: A Haemoglobin Model 使用表面等离子体共振和电化学技术直接比较抗体和纳米omip亲和力:血红蛋白模型
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-23 DOI: 10.1039/d5an01205h
Subrayal M Reddy, Andrei N Stephen, Barbara V Boldrin
This study presents, for the first time, a direct quantitative comparison between the binding affinities and selectivity of antibodies and their molecularly imprinted polymer (nanoMIP) counterparts for a target protein antigen. NanoMIPs were synthesized upon protein functionalised magnetic nanoparticle (MNP) using bovine haemoglobin as target protein. This solid-phase synthesis process gave nanoMIP yields of 10 ±2 mg produced in less than 1 hr. Physical characterization of nanoMIPs by dynamic light scattering (DLS) revealed an average particle diameter of 121 ± 53 nm, consistent with nanoparticle tracking analysis (NTA) results, confirming uniform particle formation and comparable concentrations to antibody preparations.Antibody and nanoMIP affinities were characterized using surface plasmon resonance (SPR) the current gold-standard technique as well as using a newly developed electrochemical method based on electrochemical impedance spectroscopy (EIS). This dual approach enables direct comparison and standardization of nanoMIPs as synthetic alternatives to conventional antibodies. NanoMIP binding affinities of 34.7 pM ± 2 pM (EIS) and 3.06 pM (SPR) were obtained, with selectivity factors of 130:1 and 1000:1 (target : non-target), respectively. In contrast, the corresponding polyclonal antibody for haemoglobin (pAb) demonstrated contrasting affinities of 51.9 pM ± 0.74 pM (EIS) and 48.7 nM (SPR) and with substantially lower selectivity ratios of 14:1 and 10:1. These results indicate that whereas the two sensor techniques are ideal for nanoMIP characterisation, further harmonisation is required for antibody binding characterisation. We demonstrate that the developed nanoMIPs not only match but can surpass traditional animal-derived antibodies in both affinity and molecular discrimination. Overall, these findings highlight nanoMIPs to be a robust and reproducible alternative to antibodies, offering superior selectivity and comparable affinity for next-generation bioanalytical and diagnostic applications.
本研究首次对抗体及其分子印迹聚合物(nanoMIP)对靶蛋白抗原的结合亲和力和选择性进行了直接定量比较。以牛血红蛋白为靶蛋白,以蛋白质功能化磁性纳米粒子(MNP)为载体合成纳米蛋白质。该固相合成工艺在不到1小时的时间内产生了10±2 mg的纳米omip。通过动态光散射(DLS)对纳米omip进行物理表征,发现其平均粒径为121±53 nm,与纳米颗粒跟踪分析(NTA)结果一致,证实了纳米omip颗粒形成均匀,浓度与抗体制剂相当。采用表面等离子体共振(SPR)和基于电化学阻抗谱(EIS)的新电化学方法对抗体和纳米omip亲和进行了表征。这种双重方法可以直接比较和标准化纳米omip作为传统抗体的合成替代品。获得了NanoMIP的结合亲和力为34.7 pM±2 pM (EIS)和3.06 pM (SPR),选择性因子分别为130:1和1000:1(目标:非目标)。相比之下,相应的血红蛋白(pAb)多克隆抗体的亲和度为51.9 pM±0.74 pM (EIS)和48.7 nM (SPR),选择性比为14:1和10:1,明显较低。这些结果表明,尽管这两种传感器技术是纳米omip表征的理想选择,但抗体结合表征需要进一步协调。我们证明,所开发的纳米omip不仅在亲和力和分子识别方面与传统的动物源性抗体相匹配,而且可以超越传统的动物源性抗体。总的来说,这些发现突出了纳米omip是抗体的强大和可重复的替代品,为下一代生物分析和诊断应用提供了优越的选择性和类似的亲和力。
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引用次数: 0
Development of an electrokinetic chromatography method for the rapid enantiomeric determination of 5-hydroxytryptophan. Application to the analysis of dietary supplements. 建立快速测定5-羟色氨酸对映体的电动色谱法。应用于膳食补充剂的分析。
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-22 DOI: 10.1039/d5an01100k
Sandra Adámez-Rodríguez,María Luisa Marina,María Castro-Puyana
5-Hydroxytryptophan is a chiral non-proteinogenic amino acid that plays a key role in the metabolic and neurological balance of an organism, as it is the precursor of serotonin. Dietary 5-hydroxytryptophan supplementation based on Griffonia simplicifolia seed extracts is widely used to enhance positive emotion recognition. Since the L-form of this amino acid exhibits the desired biological activity, and legal regulations do not allow the presence of the D enantiomer in dietary supplements, their quality control requires the development of chiral methodologies. This work describes the development of a rapid electrokinetic chromatography method for the enantiomeric determination of 5-hydroxytryptophan and its application to the analysis of a dietary supplement. The developed strategy was based on the use of 1.75% (w/v) sulfated-γ-cyclodextrin in 100 mM formate buffer (pH 2.2) as a separation medium, a short-end sample injection, and an uncoated fused-silica capillary with an effective length of 8.5 cm (total length of 48.5 cm). Under the optimized conditions, the enantiomeric separation of 5-hydroxytryptophan was achieved in less than 3 min with a resolution of 4.6. The analytical characteristics of the developed methodology were evaluated, showing a good performance in terms of linearity (R > 0.985), precision (RSD <6.0% for migration times and <8.6% for peak areas), accuracy (90 ± 4%) and LOQs (0.42 and 048 mg L-1 for D and L-5-hydroxytryptophan, respectively), and it was successfully applied to the quality control of a Griffonia simplicifolia dietary supplement rich in L-5-hydroxytryptophan.
5-羟色氨酸是一种手性非蛋白质原性氨基酸,在生物体的代谢和神经平衡中起着关键作用,因为它是血清素的前体。饲粮中添加5-羟色氨酸已被广泛用于增强积极情绪识别。由于该氨基酸的l型表现出所需的生物活性,而法律规定不允许在膳食补充剂中存在D对映体,因此它们的质量控制需要开发手性方法。本工作描述了一种快速测定5-羟色氨酸对映体的电动色谱方法的发展及其在膳食补充剂分析中的应用。该策略采用1.75% (w/v)硫酸-γ-环糊精,100 mM甲酸缓冲液(pH 2.2)作为分离介质,短端进样,有效长度为8.5 cm(总长度为48.5 cm)的未包被熔融石英毛细管。在优化条件下,5-羟色氨酸对映体的分离时间小于3 min,分辨率为4.6。结果表明,该方法具有良好的线性度(R < 0.985)、精密度(迁移次数RSD <6.0%、峰面积RSD <8.6%)、准确度(90±4%)和loq (D和l -5-羟色氨酸分别为0.42和048 mg L-1),可成功应用于富l -5-羟色氨酸饲料补充剂的质量控制。
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引用次数: 0
Systematic evaluation of pre-analytical variables on synovial fluid metabolomic profiles using GC-ToF-MS and UHPLC-MS. 利用GC-ToF-MS和UHPLC-MS系统评价滑液代谢组学分析前变量。
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-21 DOI: 10.1039/d5an00943j
Yumna Ladha,Adam Burke,Nigel Gotts,Royston Goodacre,Karina Wright,Jade Perry,Charlotte H Hulme
Synovial fluid is a clinically valuable biofluid for studying joint diseases through metabolomic analysis. However, given the viscoelastic nature of this biofluid its analysis is challenging. Indeed, the lack of standardised pre-analytical processing protocols for synovial fluid metabolomics potentially introduces significant variability that can compromise data reliability and hinder the application/interpretation of results. This study systematically assesses how common sample handling variables including sample dilution, freeze-thaw cycling, blood staining and viscosity reduction (via hyaluronidase digestion and bead beating) affect the metabolomic profile of synovial fluid. Using a combination of untargeted GC-ToF-MS and UHPLC-MS (in both electrospray ionisation modes; ESI+ and ESI-) for the profiling of both polar and non-polar metabolites, we evaluated changes in detectable metabolite numbers, small molecule class distribution and relative abundances in a collection of synovial fluid samples. Sample dilution had the most pronounced impact on metabolite read-outs, significantly reducing detectable metabolite numbers. Blood staining introduced distinct metabolites and resulted in the artificial increase in the relative abundance of three metabolites including adenine, hypoxanthine and 4-fluoro-DL-tryptophan. Bead beating enhanced the detection of a broad range of lipid species particularly in the UHPLC ESI+ analysis. Freeze-thaw cycling and hyaluronidase treatment had minimal effects on overall metabolite quantities or composition. These findings underscore the importance of optimising and standardising synovial fluid sample handling to ensure reproducibility and to enable accurate interpretation of metabolomic data for the study of disease mechanisms and biomarker discovery.
滑液是通过代谢组学分析研究关节疾病的有临床价值的生物液。然而,考虑到这种生物流体的粘弹性,其分析是具有挑战性的。事实上,滑膜液代谢组学缺乏标准化的分析前处理方案,可能会引入显著的可变性,从而损害数据的可靠性,阻碍结果的应用/解释。本研究系统地评估了常见的样品处理变量,包括样品稀释、冻融循环、血液染色和粘度降低(通过透明质酸酶消化和头部跳动)如何影响滑液的代谢组学特征。使用非靶向GC-ToF-MS和UHPLC-MS(在两种电喷雾电离模式下;ESI+和ESI-)对极性和非极性代谢物进行分析,我们评估了滑液样品中可检测代谢物数量、小分子类分布和相对丰度的变化。样品稀释对代谢物读数有最明显的影响,显著降低可检测的代谢物数量。血液染色引入了不同的代谢物,导致腺嘌呤、次黄嘌呤和4-氟- dl -色氨酸三种代谢物的相对丰度人为增加。头部跳动增强了广泛的脂质种类的检测,特别是在UHPLC ESI+分析中。冻融循环和透明质酸酶处理对总代谢物的数量或组成影响最小。这些发现强调了优化和标准化滑液样品处理的重要性,以确保可重复性,并能够准确解释疾病机制研究和生物标志物发现的代谢组学数据。
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引用次数: 0
Correction: Phage-ELISA for ultrasensitive detection of Salmonella enteritidis 更正:用于肠炎沙门氏菌超灵敏检测的噬菌体elisa
IF 3.3 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-21 DOI: 10.1039/D6AN90004F
Mangmang Shen, Chang Ni, Jiasheng Yuan and Xin Zhou

Correction for ‘Phage-ELISA for ultrasensitive detection of Salmonella enteritidis’ by Mangmang Shen et al., Analyst, 2025, 150, 567–575, https://doi.org/10.1039/D4AN01121J.

对沈芒芒等人的“噬菌体- elisa超灵敏检测肠炎沙门氏菌”的修正,分析,2025,150,567-575,https://doi.org/10.1039/D4AN01121J。
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引用次数: 0
Targeted Serum Metabolomics Reveals Alterations in Amino Acid and Neurotransmitter Pathways in Parkinson's Disease 靶向血清代谢组学揭示帕金森病中氨基酸和神经递质通路的改变
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-21 DOI: 10.1039/d5an00961h
Jiaxin Yang, Dong Wu, Zhiwei Wang, Zhijing Zhang, Xiaowen Zheng, Sheng Wang, Fen Huang, Shuai Song, Qunlin Zhang
Serum metabolomic profiling in Parkinson’s disease (PD) remains underexplored. This study characterized alterations in serum amino acid and neurotransmitter levels in PD using targeted metabolomics and identify associated dysregulated metabolic pathways. A validated ultra-high performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method was employed to quantify 23 amino acids and 3 neurotransmitters in PD patients and controls. Logistic regression models assessed the relationship between motor phenotype and metabolomic profiles. An OPLS-DA model incorporating variable importance in projection scoring was applied to identify metabolic subtypes associated with disease progression. Significant differences were observed in the levels of 18 amino acids and all 3 neurotransmitters between PD patients and controls (P < 0.001). Notably, glycine (Gly) and serine (Ser) levels were significantly reduced by 24% and 44%, respectively (both P < 0.001), while proline levels were elevated by 32% (P = 0.0004). Multivariate pathway analysis revealed three significantly perturbed metabolic pathways: arginine biosynthesis (P < 0.001), glyoxylate and dicarboxylate metabolism (P < 0.001), and Gly, Ser, and threonine metabolism (P = 0.013). These findings indicate that PD is associated with pronounced disruptions in serum amino acid and neurotransmitter metabolism. The cross-talk between these pathways offering new insights into PD pathogenesis.
帕金森病(PD)的血清代谢组学分析仍未得到充分研究。本研究利用靶向代谢组学表征PD患者血清氨基酸和神经递质水平的改变,并确定相关的失调代谢途径。采用经过验证的超高效液相色谱-串联质谱(UPLC-MS /MS)方法定量PD患者和对照组的23种氨基酸和3种神经递质。Logistic回归模型评估了运动表型和代谢组学特征之间的关系。应用OPLS-DA模型结合预测评分的可变重要性来识别与疾病进展相关的代谢亚型。PD患者与对照组在18种氨基酸和所有3种神经递质水平上观察到显著差异(P < 0.001)。值得注意的是,甘氨酸(Gly)和丝氨酸(Ser)水平分别显著降低24%和44% (P均为0.001),脯氨酸水平显著升高32% (P = 0.0004)。多变量通路分析显示有3条代谢途径受到显著干扰:精氨酸生物合成(P < 0.001)、乙醛酸盐和二羧酸盐代谢(P < 0.001)以及甘氨酸、丝氨酸和苏氨酸代谢(P = 0.013)。这些发现表明帕金森病与血清氨基酸和神经递质代谢的明显破坏有关。这些通路之间的相互作用为帕金森病的发病机制提供了新的见解。
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引用次数: 0
Optical Photothermal Infrared (OPTIR) spectroscopy assisted by machine learning for lactic acid bacteria identification at strain level 机器学习辅助下的光学光热红外光谱在菌株水平上的乳酸菌鉴定
IF 4.2 3区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-20 DOI: 10.1039/d5an01093d
Paul Lagneaux, Nathan Widjaja, Bastien Lagneaux, Thi Kim Chi Nguyen, Hélène Licandro, Pascale Winckler, Yves Waché
Lactic acid bacteria (LAB) are widely used in food, health, and biotechnology sectors, where accurate strain level identification is critical. Conventional methods, such as 16S rRNA sequencing, PCR-based fingerprinting (RAPD, AFLP), and MALDI-TOF mass spectrometry are powerful tools to identify bacteria at species level but often fail to resolve closely related strains due to limited taxonomic resolution, protocol sensitivity, or database dependence. In this study, we evaluated the capacity of Optical Photothermal Infrared (OPTIR) spectroscopy, a single-cell vibrational imaging technique, combined with supervised neural networks, to classify LAB at both species and strain levels. A total of 13 strains were analysed, including five Lactiplantibacillus plantarum, one Lactiplantibacillus pentosus, one Limosilactobacillus fermentum, three Lacticaseibacillus casei/paracasei, and three Streptococcus thermophilus, covering both intra- and inter-species diversity. Spectral data from LAB were acquired using a mIRage LS OPTIR system, preprocessed, and used to train a fully connected neural network for each level. The models achieved macro F1-scores of 97% for species level and 91% for strain level classification. These results demonstrate the potential of OPTIR, when integrated with machine learning, as a robust tool for high-resolution bacterial classification, with promising applications in microbiological quality control, probiotic selection, and microbial ecology.
乳酸菌(LAB)广泛应用于食品、卫生和生物技术领域,在这些领域准确的菌株水平鉴定至关重要。传统的方法,如16S rRNA测序,基于pcr的指纹图谱(RAPD, AFLP)和MALDI-TOF质谱是在物种水平上鉴定细菌的有力工具,但由于有限的分类学分辨率,协议敏感性或数据库依赖性,往往无法解决密切相关的菌株。在这项研究中,我们评估了光学光热红外(OPTIR)光谱(单细胞振动成像技术)结合监督神经网络在物种和应变水平上对LAB进行分类的能力。共分析了植物乳杆菌5株、戊乳杆菌1株、发酵乳酸杆菌1株、干酪乳杆菌/副干酪乳杆菌3株、嗜热链球菌3株,涵盖了种内和种间多样性。使用mIRage LS OPTIR系统获取LAB的光谱数据,进行预处理,并用于训练每个层的全连接神经网络。模型在物种水平和品系水平上的宏观f1得分分别为97%和91%。这些结果表明,当与机器学习相结合时,OPTIR作为高分辨率细菌分类的强大工具,在微生物质量控制、益生菌选择和微生物生态学方面具有广阔的应用前景。
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引用次数: 0
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