IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-02-01 Epub Date: 2025-11-28 DOI: 10.1016/j.ymeth.2025.11.009

Tejas S. Patil , Deepvardhan P. Chaudhari , Utkarsh U. Bhamare , Mahesh B. Palkar , Mahendra R. Mahajan , Sopan N. Nangare

Millions of women worldwide suffer from a variety of health conditions, including vaginal bacterial and yeast infections, sexually transmitted infections (STIs), urinary tract infections, pelvic inflammatory disorders, and hormonal abnormalities. Despite major advances in biomedical research, traditional intravaginal drug administration systems such as gels, creams, and suppositories frequently encounter issues such as fast drug clearance, leakage, and uneven mucosal retention, reducing therapeutic effectiveness. Microneedles, a painless and less invasive drug delivery technology, represent a viable alternative to standard formulations because they allow for accurate, controlled, and localized drug administration. Therefore, the present review focuses on possibility of microneedle-based techniques for intravaginal medication administration. In brief, it covers the need for breakthroughs in vaginal drug administration. It provides an overview of several types of microneedles, including solid, hollow, dissolving, coated, and hydrogel-forming, and their manufacturing procedures. Then, it delves into their use in intravaginal drug administration, highlighting their capacity to improve drug penetration and retention. Finally, it discusses future problems, prospective advancements, and the larger implications of microneedle technology in vaginal therapy. Microneedle-based intravaginal medication delivery is a huge step forward in targeted vaginal infection treatment. Notably, microneedles easily cross the cervicovaginal mucus barrier, increasing drug absorption at the target region while being minimally invasive. Future studies should focus on improving microneedle formulations, assessing long-term safety, and investigating their potential for wider clinical applications.

全世界数以百万计的妇女患有各种健康问题，包括阴道细菌和酵母菌感染、性传播感染、尿路感染、盆腔炎性疾病和激素异常。尽管生物医学研究取得了重大进展，但传统的阴道内给药系统，如凝胶、乳膏和栓剂，经常遇到药物快速清除、渗漏和粘膜保留不均匀等问题，降低了治疗效果。微针是一种无痛、无创给药技术，是标准配方的可行替代方案，因为它们允许精确、可控和局部给药。因此，本综述的重点是基于微针的阴道内给药技术的可能性。简而言之，它涵盖了在阴道给药方面取得突破的需要。它提供了几种类型的微针的概述，包括固体，空心，溶解，涂层和水凝胶形成，以及它们的制造程序。然后，深入研究了它们在阴道内给药中的应用，强调了它们提高药物渗透和保留的能力。最后，它讨论了未来的问题，前瞻性的进展，以及微针技术在阴道治疗中的更大的影响。基于微针的阴道内给药是阴道感染靶向治疗的巨大进步。值得注意的是，微针很容易穿过宫颈阴道粘液屏障，增加了靶区药物的吸收，同时微创。未来的研究应侧重于改进微针配方，评估长期安全性，并调查其更广泛临床应用的潜力。

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引用次数: 0

Unravelling cell heterogeneity and gene regulation mechanisms in multiple myeloma through single-cell RNA-seq 通过单细胞RNA-seq揭示多发性骨髓瘤细胞异质性和基因调控机制

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-02-01 Epub Date: 2025-11-16 DOI: 10.1016/j.ymeth.2025.11.006

Jing Jiang , Junlin Xu , Peng Wang , Yuansheng Liu , Yiping Liu

Multiple myeloma (MM) is the second most common blood cancer in the world, yet its genetic pathology is not fully understood and MM cells have highly heterogeneous regulatory mechanisms. Single-cell RNA-Sequencing (scRNA-Seq) technologies provide an unprecedented opportunity to investigate cell heterogeneity and understand regulatory mechanisms at the single-cell level. Four MM scRNA-Seq datasets were retrieved from the public domain containing 597, 172, 477, and 51,840 cells, respectively. First, they were integrated and jointly analyzed to accurately identify 24 MM cell clusters, using a normal hematopoiesis cells atlas as a control. Then we predicted 651 regulons within the 24 MM cell clusters. The identified regulons can substantially improve the elucidation of heterogeneous gene regulation mechanisms across various cell clusters, and hence can serve as a reference for diagnosis in MM.

多发性骨髓瘤（MM）是世界上第二常见的血癌，但其遗传病理尚不完全清楚，MM细胞具有高度异质性的调节机制。单细胞rna测序（scRNA-Seq）技术为研究细胞异质性和了解单细胞水平的调控机制提供了前所未有的机会。从公共领域检索到4个MM scRNA-Seq数据集，分别包含597、172、477和51840个细胞。首先，将它们整合并联合分析，以准确识别24个MM细胞簇，使用正常造血细胞图谱作为对照。然后我们预测了24个MM细胞簇中的651个调控子。这些确定的调控可以大大提高对不同细胞簇间异质基因调控机制的阐明，因此可以作为MM诊断的参考。

引用次数: 0

Establishment and application of a fully automated serum total free sulfhydryl assay based on 2,2′-DTDP 基于2,2′-DTDP的全自动血清总游离巯基测定方法的建立与应用。

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-02-01 Epub Date: 2025-12-19 DOI: 10.1016/j.ymeth.2025.12.010

Jie Zeng , Zhiyu Shao , Siming Wang , Jun Dong , Weiyan Zhou , Haijian Zhao , Tianjiao Zhang , Jiangtao Zhang , Jing Wang , Hao Zheng , Wenxiang Chen , Chuanbao Zhang

Background

Serum free thiols (FTs) are sensitive biomarkers of oxidative stress, closely associated with aging and chronic disease risk. Existing DTNB-based detection methods suffer from product instability, affecting analytical reliability. A more stable and high-throughput method is needed.

Methods

We developed an automated FT assay using 2,2′-dithiodipyridine (2,2′-DTDP) on a clinical chemistry analyzer. Serum samples reacted with 2,2′-DTDP under optimized conditions, and absorbance at 340 nm was used to quantify FT levels. Method performance, stability, and associations with cardiovascular disease (CVD) risk factors were assessed in 341 healthy individuals.

Results

FTs reacted with 2,2′-DTDP to generate 2-TP, a stable product with maximum absorbance at 340 nm. The method demonstrated excellent linearity (0–1200 μmol/L), low imprecision (1.8 %–3.3 %), and reasonable recovery (≥80 %). Serum FTs were stable for at least one year at −70 °C, 12 h at 2–8 °C, and 2 h at room temperature. In the study population, FT levels were positively correlated with serum albumin, a major thiol carrier, and negatively correlated with age, triglyceride, glucose and creatinine, suggesting links to redox status and CVD risks. These associations support the potential of FTs as indicators of systemic oxidative balance and aging-related health decline.

Conclusion

This simple and robust 2,2′-DTDP-based method enables accurate, high-throughput measurement of serum FTs. It is well suited for exploring thiol antioxidant function and evaluating age-related and cardiovascular risk in clinical and research settings.

背景：血清游离硫醇（FTs）是氧化应激的敏感生物标志物，与衰老和慢性疾病风险密切相关。现有的基于dtnb的检测方法存在产品不稳定性，影响了分析的可靠性。需要一种更稳定和高通量的方法。方法：在临床化学分析仪上使用2,2′-二硫代二吡啶（2,2′-DTDP）建立了一种自动FT测定方法。血清样品在优化条件下与2,2'-DTDP反应，340 nm吸光度用于定量FT水平。方法在341名健康个体中评估了性能、稳定性以及与心血管疾病（CVD）危险因素的相关性。结果：ft与2,2′-DTDP反应生成2- tp，产物稳定，最大吸光度为340 nm。该方法线性良好（0 ~ 1200 μmol/L），不精密度低（1.8 % ~ 3.3 %），回收率合理（≥80 %）。血清FTs在-70 °C下稳定至少一年，在2-8 °C下稳定12 h，在室温下稳定2 h。在研究人群中，FT水平与血清白蛋白（主要硫醇载体）呈正相关，与年龄、甘油三酯、葡萄糖和肌酐呈负相关，提示与氧化还原状态和心血管疾病风险有关。这些关联支持FTs作为系统氧化平衡和衰老相关健康下降指标的潜力。结论：基于2,2'- ddpp的方法简单可靠，能够准确、高通量地测定血清FTs。它非常适合在临床和研究环境中探索硫醇抗氧化功能和评估年龄相关和心血管风险。

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引用次数: 0

Sensitivity-improving CRISPR-Cas strategies for non-nucleic acid targets detection 提高非核酸靶点检测灵敏度的CRISPR-Cas策略

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-02-01 Epub Date: 2025-12-15 DOI: 10.1016/j.ymeth.2025.12.004

Huijuan Qi , Yujin Yang , Xiangting Hou , Yuanyuan Chen , Shaohua Gong

CRISPR-Cas systems have revolutionized non-nucleic acid targets detection across diverse applications. Nevertheless, the relatively low enzymatic turnover rate of activated Cas nucleases during substrate cleavage remains a critical bottleneck, limiting the sensitivity of such detection methods. To address this challenge, numerous innovative strategies have been proposed to enhance the sensitivity of CRISPR-Cas systems, enabling high-sensitive non-nucleic acid targets detection. This review systematically summarizes the sensitivity-enhancing methodologies for non-nucleic acid targets detection using CRISPR-Cas technologies. We first delineate the working mechanisms of various CRISPR-Cas systems and the signal transduction pathways specific to non-nucleic acid targets. Subsequently, we detail diverse sensitivity-improving approaches, including nucleic acid amplification-facilitated strategies, multimolecular labeling techniques, dual-enzyme cascade methods, and multiplex amplification methodologies. Additionally, the current challenges and future perspectives in this field are discussed, aiming to inspire researchers to develop more ingenious solutions and facilitate real-world applications of CRISPR-Cas system for non-nucleic acid targets detection.

CRISPR-Cas系统在各种应用中彻底改变了非核酸靶标检测。然而，在底物裂解过程中，活化Cas核酸酶相对较低的酶周转率仍然是一个关键瓶颈，限制了这种检测方法的灵敏度。为了应对这一挑战，已经提出了许多创新策略来提高CRISPR-Cas系统的灵敏度，从而实现高灵敏度的非核酸靶点检测。本文系统总结了利用CRISPR-Cas技术提高非核酸靶点检测灵敏度的方法。我们首先描述了各种CRISPR-Cas系统的工作机制以及针对非核酸靶点的信号转导途径。随后，我们详细介绍了各种提高灵敏度的方法，包括核酸扩增促进策略、多分子标记技术、双酶级联方法和多重扩增方法。此外，还讨论了该领域目前面临的挑战和未来的前景，旨在启发研究人员开发更巧妙的解决方案，促进CRISPR-Cas系统在非核酸靶点检测中的实际应用。

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引用次数: 0

Scale-adjusted distance transform and its applications to segmentation of multimodal images 尺度调整距离变换及其在多模态图像分割中的应用。

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-11-07 DOI: 10.1016/j.ymeth.2025.11.003

Nirmal Das , Subhadip Basu , Punam K. Saha

Distance transform (DT) is widely used for structural analysis of multi-dimensional (mainly 2-D and 3-D) objects. Association of DT values with local structure scale, often, adds challenges and limits the scope of applications of DT in relative structural analysis among multiple objects with varying scales. In this paper, we introduce a new notion of scale-adjusted distance transform (SADT), conceptually different from traditional DT, which is independent of object scale and offers DT values of scale varying objects on a uniform scale with the value of ‘1’ at ridges. It has been shown that scale-adjusted distance is a metric function in a continuous Euclidean space, and SADT generates a normalized field that is invariant under translation, rotation, and isotropic scaling. The computational method for digital objects traces gradient flow paths on a conventional DT field and uses the change in velocity along a digital path to detect local ridges, which are then used to generate a scale-adjusted density (SAD) field. Finally, SADT is computed using the SAD value. The results of applying the method on 2-D and 3-D multimodal image datasets are presented. Two real-life applications of SADT are shown: 1) segmentation of conjoined nuclei from 2-D microscopic images, and 2) multi-scale separation of conjoined artery–vein in 3-D pulmonary CT image of a pig lung phantom. SADT outperforms the traditional marker-controlled watershed algorithm in conjoined nuclei segmentation from 2-D images and achieves highly accurate multi-scale artery–vein separation in the pig lung phantom experiment. The performance of SADT is invariant to image dimension and imaging modality. Unlike modern deep learning methods, the proposed fuzzy method is transparent and data modality independent. The source code and sample data are freely available at: https://github.com/CMATERJU-BIOINFO/Scale-Adjusted-Distance-Transform.

距离变换（DT）广泛应用于多维（主要是二维和三维）物体的结构分析。将DT值与局部结构尺度相关联，往往会给DT在不同尺度的多物体相对结构分析中的应用范围带来挑战和限制。在本文中，我们引入了一种新的概念，即尺度调整距离变换（SADT），它与传统的DT在概念上有所不同，它不依赖于物体的尺度，并提供了在脊上以1为值的均匀尺度上变化尺度的物体的DT值。尺度调整距离是连续欧几里得空间中的度量函数，SADT生成的归一化域在平移、旋转和各向同性尺度下都是不变的。数字物体的计算方法在传统的DT场上跟踪梯度流动路径，并利用沿数字路径的速度变化来检测局部脊，然后使用这些脊来生成缩放密度（SAD）场。最后，使用SAD值计算SADT。给出了该方法在二维和三维多模态图像数据集上的应用结果。本文给出了SADT在现实生活中的两个应用：1)从二维显微图像中分割连体核；2)在猪肺幻象的三维肺CT图像中多尺度分离连体动静脉。SADT算法在二维图像的连核分割中优于传统的标记控制分水岭算法，在猪肺幻象实验中实现了高精度的多尺度动静脉分离。SADT的性能不受图像维数和成像模态的影响。与现代深度学习方法不同，本文提出的模糊方法具有透明性和数据模态无关性。源代码和示例数据可在https://github.com/CMATERJU-BIOINFO/Scale-Adjusted-Distance-Transform免费获得。

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引用次数: 0

Rapid in vitro and computer-aided method for assessing synergistic interactions between NSAIDs and analgesics 快速体外和计算机辅助方法评估非甾体抗炎药和镇痛药之间的协同相互作用。

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-08-30 DOI: 10.1016/j.ymeth.2025.08.012

Fernando Silva , Gustavo Costa , Francisco Veiga , Vera Moura , Francisca Dias , Fátima Cerqueira , Rui Medeiros , Ana Cláudia Paiva-Santos

Pain is a complex phenomenon that plays a significant role in various diseases, influencing both the physical and psychological well-being of individuals. In clinical practice, combining nonsteroidal anti-inflammatory drugs (NSAIDs) with analgesics, such as paracetamol or metamizole, has become a widely adopted strategy to manage pain. Although the synergistic effects of combining NSAIDs with analgesics are well recognized in clinical practice, this approach is primarily based on empirical clinical experience. Our work aims to present a rapid method for evaluating the anti-inflammatory effects of drug combinations through in vitro assays combined with computer-aided data processing and analysis.

We conducted two simple and rapid in vitro assays, the Griess and DPPH assays, to evaluate the effects of NSAID–analgesic combinations and demonstrate their synergistic interactions, using the free web application SynergyFinder Plus. This computer-aided analysis enabled a quantitative assessment of drug interactions, enhancing the interpretation of the experimental data. Furthermore, to better understand the results obtained from previous experiments, we analysed the anti-inflammatory effects of ketoprofen and dexketoprofen in combination with metamizole and paracetamol through quantitative real-time PCR (qRT-PCR). Our findings reveal synergistic interactions between NSAIDs and analgesics in terms of their anti-inflammatory and antioxidant activities.

This work could be the first step for the study of the mechanisms behind the synergistic interactions between NSAIDs and analgesics for the treatment of pain, mainly when inflammatory processes are involved. Consequently, this study aims to contribute to the exploration of non-opioid drug combinations, addressing the urgent need for alternative analgesic strategies that minimize opioid use.

疼痛是一种复杂的现象，在各种疾病中起着重要作用，影响着个体的生理和心理健康。在临床实践中，非甾体抗炎药（NSAIDs）与镇痛药（如扑热息痛或metamizole）联合使用已成为一种广泛采用的治疗疼痛的策略。尽管非甾体抗炎药与镇痛药联合使用的协同作用在临床实践中得到了广泛认可，但这种方法主要基于临床经验。我们的工作旨在通过体外试验结合计算机辅助数据处理和分析，提出一种快速评估药物联合抗炎作用的方法。我们使用免费的网络应用程序SynergyFinder Plus进行了两种简单快速的体外试验，Griess和DPPH试验，以评估nsaid -镇痛药联合使用的效果，并证明它们之间的协同作用。这种计算机辅助分析能够对药物相互作用进行定量评估，增强对实验数据的解释。此外，为了更好地理解之前的实验结果，我们通过实时荧光定量PCR （qRT-PCR）分析了酮洛芬和右酮洛芬与metamizole和paracetamol联合使用的抗炎作用。我们的发现揭示了非甾体抗炎药和镇痛药在抗炎和抗氧化活性方面的协同相互作用。这项工作可能是研究非甾体抗炎药和镇痛药治疗疼痛的协同相互作用机制的第一步，主要是在炎症过程中。因此，本研究旨在促进非阿片类药物组合的探索，解决替代镇痛策略的迫切需要，最大限度地减少阿片类药物的使用。

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引用次数: 0

Materials-Based spatiotemporal analysis of microbial responses to glyphosate in Winogradsky columns 基于材料的Winogradsky色谱柱中微生物对草甘膦响应的时空分析

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-10-28 DOI: 10.1016/j.ymeth.2025.10.009

Ahmad Itani , Marta Velaz Martín , Laura Meisch , Phillip Lemke , Tim Scharnweber , Islam M. Khattab , Kersten S. Rabe , Christof M. Niemeyer

Glyphosate, the active ingredient in many broad-spectrum herbicides, is extensively used in agriculture but has come under increasing scrutiny due to its potential impacts on non-target microbial communities. To investigate these effects within a controlled yet ecologically relevant framework, Winogradsky columns, self-contained sediment-based ecosystems, were employed as a model system. A novel, non-destructive sampling approach was introduced using macroporous elastomeric silicone foam (MESIF) integrated in stainless-steel frames to enable spatiotemporal monitoring of benthic microbial communities. These MESIF-loaded frames were vertically embedded in columns filled with lake sediment and subjected to varying experimental conditions, including light exposure and glyphosate treatment. Microbial colonization of the MESIF was assessed via amplicon sequencing at defined time points. Glyphosate-treated columns exhibited delayed microbial stratification and diminished development of characteristic pigmentation associated with functional groups such as iron-oxidizing and sulfate-reducing bacteria. Although within-column alpha diversity remained relatively constant, glyphosate exposure led to distinct shifts in community composition, including an increased abundance of taxa potentially involved in glyphosate degradation. These findings demonstrate the effectiveness of combining Winogradsky columns with MESIF-based sampling for studying environmental stressors and underscore glyphosate’s influence on microbial succession and functional diversity in sediment ecosystems.

草甘膦是许多广谱除草剂的有效成分，广泛用于农业，但由于其对非目标微生物群落的潜在影响而受到越来越多的关注。为了在一个受控制但与生态相关的框架内研究这些影响，采用Winogradsky柱，自给自足的基于沉积物的生态系统作为模型系统。介绍了一种新型的非破坏性采样方法，将大孔弹性有机硅泡沫（MESIF）集成在不锈钢框架中，以实现对底栖微生物群落的时空监测。这些mesif负载的框架垂直嵌入充满湖泊沉积物的柱中，并经受不同的实验条件，包括光照和草甘膦处理。在确定的时间点通过扩增子测序评估MESIF的微生物定植。草甘膦处理的色谱柱表现出延迟的微生物分层和减少与功能群（如铁氧化菌和硫酸盐还原菌）相关的特征色素沉着的发展。尽管柱内α多样性保持相对稳定，但草甘膦暴露导致群落组成发生明显变化，包括可能参与草甘膦降解的分类群丰度增加。这些发现证明了将Winogradsky柱与mesif采样相结合用于研究环境压力源的有效性，并强调了草甘膦对沉积物生态系统中微生物演替和功能多样性的影响。

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引用次数: 0

Comprehensive analysis of the inhibition of aldehyde dehydrogenase from Flavobacterium PL002 and its coupling with SERS as a path for the selective detection of thiram 综合分析黄杆菌PL002对乙醛脱氢酶的抑制作用及其与SERS的偶联作为选择性检测thiram的途径。

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-10-16 DOI: 10.1016/j.ymeth.2025.10.006

Andreea Iuliana Ftodiev , Georgiana Necula Petrareanu , Mihaela Puiu , Gheorghe Proteasa , Cristian V.A. Munteanu , Roberta Maria Banciu , Ruchika Chauhan , Diana Visinescu , Cristina Purcarea , Pablo Fanjul-Bolado , David Ibañez , Ronen Fogel , Janice Limson , Monica Potara , Anca Florina Bonciu , Simion Astilean , Camelia Bala , Alina Vasilescu

The selective detection of dithiocarbamate fungicides in food and agricultural products presents significant analytical challenges. While Surface-enhanced Raman spectroscopy (SERS) has been extensively investigated to address this, detection systems based on enzymatic inhibition remain underexplored. Using thiram as a model dithiocarbamate, the present work explores the potential application of a cold-active aldehyde dehydrogenase from Flavobacterium PL002 for the development of specific, inhibition-based analytical methods. A molecular modelling and docking study confirmed that thiram fits into the binding pocket of the enzyme. An irreversible inhibition mechanism was inferred for thiram based on enzymatic kinetics studies. The mechanism was supported by SERS, mass spectrometry measurements and tests with reducing agents. A simple assay for the detection of the fungicide was developed and compared to a SERS-based procedure. The advantages and the practical limitations of the two methods were revealed by studying the detection of thiram from the surface of fungicide-spiked tomatoes. By coupling enzymatic inhibition with SERS, the selectivity for the detection of individual fungicides can be increased, as illustrated by comparing thiram with ziram, a structurally related compound. The study serves as basis for the development of analytical methods for the selective detection of thiram.

食品和农产品中二硫代氨基甲酸酯杀菌剂的选择性检测提出了重大的分析挑战。虽然表面增强拉曼光谱（SERS）已被广泛研究以解决这一问题，但基于酶抑制的检测系统仍未得到充分探索。利用thiram作为二硫代氨基甲酸酯模型，本研究探索了黄杆菌PL002冷活性醛脱氢酶的潜在应用，以开发特异性的、基于抑制的分析方法。分子模型和对接研究证实，thiram适合酶的结合袋。基于酶动力学研究，推测了一种不可逆的抑制机制。SERS、质谱测定和还原剂试验支持了该机理。开发了一种简单的杀菌剂检测方法，并与基于sers的方法进行了比较。通过对加杀菌剂番茄表面的硫胺检测研究，揭示了这两种方法的优点和实际应用的局限性。通过将酶抑制与SERS耦合，可以提高单个杀菌剂检测的选择性，如将thiram与结构相关的化合物ziram进行比较所示。本研究为发展选择性检测thiram的分析方法奠定了基础。

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引用次数: 0

Carboxyl-PEG modified Fe3O4 nanoparticles as an ultrasensitive SERS substrate for multiplex detection of exogenous hormones related to endometrial cancer 羧基聚乙二醇修饰的Fe3O4纳米颗粒作为超灵敏SERS底物用于子宫内膜癌相关外源激素的多重检测。

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-11-03 DOI: 10.1016/j.ymeth.2025.11.002

Biqing Chen, Jiayin Gao, Haizhu Sun, Yinghan Zhao, Yan Liu, Xiaohong Qiu

Traditional surface-enhanced Raman scattering (SERS) technology often struggles to achieve high-precision discrimination in the simultaneous detection of multiple exogenous hormones due to complex spectral overlap and matrix interference, limiting its application in trace analyte analysis within complex matrices (e.g., biological samples). This study developed a SERS substrate based on carboxyl-terminal polyethylene glycol (PEG)-modified iron oxide (Fe₃O₄) nanoparticles (Fe₃O₄@PEG), integrated with artificial intelligence (AI)-driven high-throughput spectral analysis algorithms. This approach successfully enabled ultrasensitive detection and precise discrimination of multiple typical exogenous hormonal drugs, including tamoxifen, drospirenone, cyproterone acetate, medroxyprogesterone acetate, estradiol ester derivatives, and dydrogesterone. By optimizing the surface enhancement effect of Fe₃O₄@PEG nanocomposites and employing machine learning models (e.g., convolutional neural networks, CNN) for collaborative analysis, the weak Raman fingerprint features of target hormones in complex mixtures were effectively extracted and classified, achieving a detection limit at the corresponding to 10⁻⁷–10⁻⁸ mg/mL level. In matrix-spiked serum and urine samples, which mimic complex biological matrices validations, the AI-SERS platform demonstrated exceptional performance in the identification and quantitative analysis of target exogenous hormones. This research provides an intelligent analytical strategy for rapid and highly sensitive detection of multiple trace exogenous hormones in complex matrices.

传统的表面增强拉曼散射（SERS）技术在同时检测多种外源激素时，由于复杂的光谱重叠和基质干扰，往往难以实现高精度的区分，限制了其在复杂基质（如生物样品）内痕量分析物分析中的应用。本研究开发了一种基于羧基末端聚乙二醇（PEG）修饰的氧化铁（Fe3O4）纳米颗粒（Fe3O4@PEG）的SERS底物，并集成了人工智能（AI）驱动的高通量光谱分析算法。该方法成功实现了他莫昔芬、屈螺酮、醋酸环丙孕酮、醋酸甲羟孕酮、雌二醇酯衍生物、地屈孕酮等多种典型外源性激素药物的超灵敏检测和精确鉴别。通过优化Fe3O4@PEG纳米复合材料的表面增强效果，利用卷积神经网络（CNN）等机器学习模型协同分析，有效提取并分类了复杂混合物中目标激素的弱拉曼指纹特征，达到了对应于10-7-10-8 mg/mL水平的检出限。在模拟复杂生物基质验证的基质加标血清和尿液样本中，AI-SERS平台在目标外源激素的鉴定和定量分析中表现出卓越的性能。本研究为复杂基质中多种微量外源激素的快速、高灵敏度检测提供了一种智能分析策略。

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引用次数: 0

Natural language processing 自然语言处理

IF 4.3 3区生物学 Q1 BIOCHEMICAL RESEARCH METHODS

Methods

Pub Date : 2026-01-01 Epub Date: 2025-11-12 DOI: 10.1016/j.ymeth.2025.11.004

Nguyen Quoc Khanh Le , Matthew Chin Heng Chua

引用次数: 0

Methods最新文献

Background

Methods

Results

Conclusion