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The role of metabolomics in chronic obstructive pulmonary disease: from analytic techniques to clinical applications. 代谢组学在慢性阻塞性肺疾病中的作用:从分析技术到临床应用。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2026-01-06 DOI: 10.1088/1752-7163/ae2f95
Mauro Maniscalco, Salvatore Fuschillo, Claudio Candia, Gaetano Corso, Debora Paris, Andrea Motta

Chronic obstructive pulmonary disease (COPD) is a complex, progressive inflammatory disorder characterized by airflow limitation and respiratory symptoms. Its heterogeneity is manifested at etiological, pathological and clinical levels, and leads to different phenotypes: chronic bronchitis, emphysema, asthma-COPD overlap, frequent exacerbator and eosinophilic phenotypes. COPD is also associated with systemic manifestations including cardiovascular diseases, muscle dysfunction, osteoporosis and mental-health issues, which require a comprehensive management approach. Key risk factors are tobacco smoke and air pollution, both of which induce oxidative stress and airway remodeling. Although there is still no definitive cure for COPD, an early diagnosis and a multidisciplinary treatment are essential to prevent or slow the disease progression and reduce the mortality rate. Molecular biomarkers, particularly those identified through metabolomics, show promise for early detection, phenotyping and precision therapies. Challenges in biomarker discovery include specimen variability and stability. Overall, metabolomics provides valuable insights into COPD's molecular pathways, supporting improved diagnosis, prognosis and tailored treatments. In this tutorial, we will explore metabolomics findings from different COPD matrices and their clinical implications for diagnosis, treatment and prognosis.

慢性阻塞性肺疾病(COPD)是一种复杂的进行性炎症性疾病,以气流受限和呼吸系统症状为特征。其异质性表现在病因、病理和临床水平,导致不同的表型:慢性支气管炎、肺气肿、哮喘- copd重叠、频繁加重和嗜酸性粒细胞表型。慢性阻塞性肺病还与心血管疾病、肌肉功能障碍、骨质疏松症和精神健康问题等全身性表现相关,需要综合管理方法。主要的危险因素是烟草烟雾和空气污染,两者都会引起氧化应激和气道重塑。虽然目前还没有治愈慢性阻塞性肺病的确切方法,但早期诊断和多学科治疗对于预防或减缓疾病进展和降低死亡率至关重要。分子生物标志物,特别是通过代谢组学鉴定的分子生物标志物,有望用于早期检测、表型分析和精确治疗。生物标志物发现的挑战包括标本的可变性和稳定性。总的来说,代谢组学为COPD的分子途径提供了有价值的见解,支持改进诊断、预后和定制治疗。在本教程中,我们将探讨不同COPD基质的代谢组学发现及其对诊断、治疗和预后的临床意义。
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引用次数: 0
Exhaled Breath Analysis to Stratify Cardiovascular Risk Using Machine Learning Model: A Novel Frontier in Preventive Cardiology. 使用机器学习模型对心血管风险分层的呼气分析:预防心脏病学的新前沿。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2026-01-06 DOI: 10.1088/1752-7163/ae33e0
Basheer Abdullah Marzoog, Philipp Kopylov

Background: Despite major progress in diagnosis and treatment, cardiovascular disease (CVD) continues to be the leading cause of death worldwide, responsible for roughly 19.8 million lives lost each year. A key challenge in preventive cardiology is still the early detection of those at elevated risk of serious heart complications. Aims: Assess the ability of the machine learning model to stratify CVD risk using exhaled breath analysis. Materials and methods: A single-center study involved 80 participants with vs. without stress-induced myocardial perfusion defect. All participants underwent a single resting breath sample collection in PTR-TOF-MS-1000, single blood sample intake, and stress computed tomography myocardial perfusion imaging with vasodilation test. Statistical analyses were performed using Statistica 12 (StatSoft, Inc., 2014), IBM SPSS Statistics v29.0.1.1 (IBM Corp., 2024). The threshold for statistical significance was p < 0.05. Machine learning models were developed using Google Colab with Python 3. Results: The gradient-boosting model demonstrated the best performance and was therefore selected for further evaluation. The model showed an AUC of 0.77 [95% CI; 0.4976 - 1.0000] to differentiate participants with low CVD risk, moderate risk 0.55 [95% CI; 0.3345 - 0.7875], and high risk 0.66 [95% CI; 0.3765 - 0.8661]. Conclusion: The gradient boosting machine learning model provides initial evidence that rest exhaled breath analysis can differentiate cardiovascular risk strata through identifiable concentration patterns of specific volatile organic compounds. However, substantial challenges remain regarding model performance and the confounding effects of class imbalance within a limited sample. .

背景:尽管在诊断和治疗方面取得了重大进展,但心血管疾病(CVD)仍然是世界范围内的主要死亡原因,每年造成大约1980万人死亡。预防心脏病学的一个关键挑战仍然是早期发现严重心脏并发症风险升高的患者。目的:评估机器学习模型通过呼气分析对心血管疾病风险进行分层的能力。材料和方法:一项单中心研究涉及80名有与无应激性心肌灌注缺损的受试者。所有参与者在PTR-TOF-MS-1000中进行了单次静息呼吸样本采集,单次血液样本采集,并进行了应力计算机断层扫描心肌灌注成像和血管舒张试验。采用Statistica 12 (StatSoft, Inc., 2014)、IBM SPSS Statistics v29.0.1.1 (IBM Corp., 2024)进行统计分析。差异有统计学意义的阈值为p < 0.05。机器学习模型是使用谷歌Colab和Python 3开发的。结果:梯度增强模型表现最佳,因此被选择作进一步评价。该模型的AUC为0.77 [95% CI;0.4976 - 1.0000]区分低心血管疾病风险,中等风险0.55 [95% CI;0.3345 ~ 0.7875],高风险0.66 [95% CI;0.3765 - 0.8661]。结论:梯度增强机器学习模型提供了初步证据,表明休息呼气分析可以通过识别特定挥发性有机化合物的浓度模式来区分心血管风险层。然而,关于模型性能和有限样本内类别不平衡的混淆效应,仍然存在实质性的挑战。 。
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引用次数: 0
Efficacy and safety of probiotic therapy for halitosis: a systematic review and meta-analysis of randomized controlled trials. 益生菌治疗口臭的疗效和安全性:随机对照试验的系统回顾和荟萃分析。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-12-23 DOI: 10.1088/1752-7163/ae23f0
Yichen Yang, Jie Ge, Yuanyuan Chen, Hualian Liu

To evaluate the therapeutic efficacy of probiotics in managing halitosis and to determine the optimal intervention strategies. An extensive search was conducted in PubMed, Web of Science, Cochrane Library, and Embase up to December 2024, focusing on studies evaluating probiotic interventions for halitosis. Sensitivity and subgroup analyses were undertaken to assess the robustness of the results and to explore potential sources of heterogeneity. All analyses were performed through Review Manager 5.4 and STATA 15.0. Of the 194 records initially identified, 10 studies met the predefined criteria. The pooled results demonstrated a significant reduction in volatile sulfur compounds (VSCs) levels in the probiotic group compared to controls (SMD = - 1.01, 95% CI [-1.93, -0.09],P= 0.03). Likewise, the organoleptic test (OLT) scores showed a marked improvement in the probiotic group (RR = 1.31, 95% CI [1.22, 1.41],P< 0.00001). Nevertheless, no substantial differences were observed between groups in oral health-related quality of life (SMD = 0.21, 95% CI [-0.06, 0.49],P= 0.12), subjective oral health status (SMD = - 0.04, 95% CI [-0.35, 0.28],I2= 0%,p= 0.74), depression (SMD = 0.03, 95% CI [-0.29, 0.35],I2= 0%,p= 0.85), self-esteem (SMD = - 0.07, 95% CI [-0.39, 0.25],I2= 0%,p= 0.67), OLT scores (SMD = - 0.24, 95% CI [-0.64, 0.16],I2= 0%,p= 0.24), or plaque index (SMD = - 0.06, 95% CI [-0.57, 0.46],I2= 0%,p= 0.82). The findings suggest that probiotic therapy, when combined with conventional treatments, may be more effective in enhancing OLT scores and reducing VSC levels in individuals with halitosis than using probiotic alone. Nonetheless, potential publication bias, limited sample sizes, and heterogeneity among the included clinical trials may affect the reliability of these conclusions.

目的:评价益生菌治疗口臭的疗效,确定最佳干预策略。方法:广泛检索截至2024年12月PubMed、Web of Science、Cochrane Library和Embase数据库,重点收集益生菌干预口臭的研究。进行敏感性和亚组分析以评估结果的稳健性并探索潜在的异质性来源。所有分析均通过Review manager 5.4和STATA 15.0进行。结果:在最初确定的194条记录中,有10项研究符合预定义的标准。综合结果显示,与对照组相比,益生菌组的挥发性硫化合物(VSCs)水平显著降低(SMD = -1.01, 95% CI [-1.93, -0.09], P = 0.03)。同样,益生菌组的感官测试(OLT)评分也有显著改善(RR = 1.31, 95% CI [1.22, 1.41], P < 0.00001)。然而,没有实质性的差异观察各组在口腔健康相关的生活质量(SMD = 0.21, 95% CI [-0.06, 0.49], P = 0.12),主观的口腔健康状况(SMD = -0.04, 95% CI[-0.35, 0.28],我²= 0%,P = 0.74),抑郁(SMD = 0.03, 95% CI[-0.29, 0.35],我²= 0%,P = 0.85),自尊(SMD = -0.07, 95% CI[-0.39, 0.25],我²= 0%,P = 0.67),我院成绩(SMD = -0.24, 95% CI[-0.64, 0.16],我²= 0%,P = 0.24),或菌斑指数(SMD = -0.06, 95% CI [-0.57, 0.46],I²= 0%,p = 0.82)。结论:研究结果表明,当益生菌治疗与常规治疗联合使用时,可能比单独使用益生菌更有效地提高口臭患者的OLT评分和降低VSC水平。然而,潜在的发表偏倚、有限的样本量和纳入临床试验的异质性可能会影响这些结论的可靠性。
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引用次数: 0
Exhalation metabolomics for noninvasive staging biomarker exploration in silicosis. 呼气代谢组学在矽肺无创分期生物标志物探索中的应用。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-12-15 DOI: 10.1088/1752-7163/ae26bf
Ao Pan, Mucen Xu, Huiling Zhou, Huan Xu, Linyao Wang, Yongxin Li

Silicosis is a prevalent chronic occupational disease, causing incurable damage to the lungs. The conventional methods for diagnosing silicosis are costly and complex. Noninvasive biomarker studies based on exhalation metabolomics have potential in the early diagnosis of silicosis, but existing studies remain scarce and especially lack the biomarkers for staging diagnosis. Exhaled breath from 74 healthy controls and 112 patients, including 28 stage Ⅰ silicosis patients (SILs), 22 stage Ⅱ SILs, 52 stage ࡲ SILs and 10 coal workers' pneumoconiosis patients, were detected using solid-phase microextraction incorporating gas chromatography-mass spectrometry for the identification of the volatile metabolites. The univariate statistical analysis and orthogonal partial least squares-discriminant analysis were employed to screen potential biomarkers of SILs, with diagnostic performance assessed with the receiver-operating characteristic (ROC) curve and decision tree model. Fourteen volatile metabolites were found to distinguish different stages of SILs from healthy controls, and 8 metabolites differentiating stage Ⅰ and ࡲ as well as 3 metabolites distinguishing stage Ⅱ and ࡲ. The ROC analysis of silicosis based on the biomarkers exhibited an area under curve (AUC) of more than 0.9, with the largest AUC of 0.986 in stage Ⅰ SILs and healthy controls. Mechanistic exploration showed that these biomarkers were associated with inflammatory response, oxidative stress, and fibrosis in silicosis, respectively. This study preliminarily screened out the biomarkers of exhaled breath for different stages of SILs, and explored the metabolic pathways of biomarkers, which can provide basic data for the early, staging and specific diagnosis of SILs.

矽肺病是一种常见的慢性职业病,对肺部造成无法治愈的损害。传统的矽肺诊断方法既昂贵又复杂。基于呼气代谢组学的无创生物标志物研究在矽肺早期诊断中具有潜力,但现有的研究仍然很少,特别是缺乏分期诊断的生物标志物。采用固相微萃取-气相色谱-质谱联用(SPME-GC-MS)技术对74例健康对照者和112例患者(其中Ⅰ矽肺28例、Ⅱ矽肺22例、Ⅲ矽肺52例和10例煤工尘肺患者)的呼气中挥发性代谢物进行检测。采用单因素统计分析和正交偏最小二乘判别分析(OPLS-DA)筛选SILs的潜在生物标志物,并采用受试者工作特征(ROC)曲线和决策树模型评估诊断效果。发现14种挥发性代谢物可区分SILs与健康对照的不同阶段,8种代谢物可区分Ⅰ和Ⅲ阶段,3种代谢物可区分Ⅱ和Ⅲ阶段。基于生物标志物的矽肺ROC分析显示,曲线下面积(AUC)大于0.9,其中Ⅰ期矽肺和健康对照的AUC最大,为0.986。机制探索表明,这些生物标志物分别与矽肺的炎症反应、氧化应激和纤维化有关。本研究初步筛选出SILs不同分期的呼出气生物标志物,并探索生物标志物的代谢途径,可为SILs的早期、分期和特异性诊断提供基础数据。
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引用次数: 0
Volatile organic compounds (VOCs) to monitor cell expansion and microbial contamination of mesenchymal stromal cells (MSCs): a preliminary study. 挥发性有机化合物(VOCs)监测间充质基质细胞(MSCs)细胞增殖和微生物污染的初步研究。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-11-21 DOI: 10.1088/1752-7163/ae1b30
Manohar P Bhandari, Eva Borras, Dante E Rojas, Mitchell M McCartney, Hannah A Strobel, James B Hoying, Cristina E Davis

Several investigations have identified volatile organic compounds (VOCs) as potential biomarkers for the detection and identification of microbial contamination of metabolically active mammalian cell cultures. In this study, we showed that emitted VOCs discriminate between uncontaminated mesenchymal stromal cells (MSCs) and those contaminated with the bacteriumStaphylococcus epidermidisor fungusAspergillus Fumigatusseparately,in vitro, using a methodology based on an adapted cell culture and thermal desorption-gas chromatography-mass spectrometry. In addition, we elucidated a set of discriminatory volatile compounds from the MSC cultures and media alone across a time series experiment. Partial least squares-discriminant analysis-variable importance in projection confirmed putative identifications of 18, 16, and 26 VOCs that showed relevant changes in a bacterial, fungal, and universal pathogen model, respectively, with an accuracy of 100% in the fungal model. Among these metabolites, octane, 2,5,6-trimethyl- overlapped between the three groups. Furthermore, a total of 15 VOCs were found most relevant to cell culture expansion over three days based on cluster analysis. This novel study goes a step further in identifying distinct VOC signatures of MSCs contaminated withS. epidermidisorA. fumigatus, and in monitoring MSCs proliferation over time. This pilot study shows preliminary results that indicate that VOC headspace analysis could serve as a suitable, rapid, non-invasive, and non-destructive tool for the metabolic and growth monitoring of MSCs in a dynamic cell culture bioreactor system.

一些研究已经确定挥发性有机化合物(VOCs)作为潜在的生物标志物,用于检测和鉴定代谢活跃的哺乳动物细胞培养物的微生物污染。在这项研究中,我们发现,在体外,使用基于适应性细胞培养和热解吸-气相色谱-质谱(TD-GC-MS)的方法,排放的voc可以区分未污染的间充质间质细胞(MSCs)和被表皮葡萄球菌或真菌烟曲霉污染的间充质间质细胞(MSCs)。此外,我们通过时间序列实验从MSC培养物和培养基中阐明了一组歧视性挥发性化合物。偏最小二乘-判别分析(PLS-DA)-预测变量重要性分别证实了18、16和26种VOCs的推定鉴定,这些VOCs在细菌、真菌和通用病原体模型中分别显示出相关变化,真菌模型的准确性为100%。在这些代谢物中,辛烷2,5,6-三甲基在三个基团之间重叠。此外,基于聚类分析,共发现15种挥发性有机化合物与细胞培养扩增在三天内最相关。这项新研究进一步鉴定了表皮葡萄球菌或烟曲霉污染的间充质干细胞的不同VOC特征,并监测了间充质干细胞随时间的增殖。该初步研究结果表明,VOC顶空分析可以作为一种合适的、快速的、非侵入性的、非破坏性的工具,用于动态细胞培养生物反应器系统中msc的代谢和生长监测。
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引用次数: 0
Exhaled breath acetone: a non-invasive marker of disease severity across the spectrum of heart failure. 呼气丙酮:一种非侵入性心力衰竭疾病严重程度的标志物。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-11-07 DOI: 10.1088/1752-7163/ae1863
Nicolò De Biase, Silvia Ghimenti, Lavinia Del Punta, Denise Biagini, Alessio Lenzi, Fabio Di Francesco, Stefano Taddei, Pierpaolo Pellicori, Stefano Masi, Tommaso Lomonaco, Nicola Riccardo Pugliese

Background.Increased exhaled breath acetone (EBA) concentrations might reflect impaired myocardial energetics and haemodynamic stress. We investigated the relation of EBA and cardiac structure, function, and exercise capacity in patients with or at risk of heart failure (HF).Methods.We enrolled outpatients with HF and reduced (<50%, HFrEF) or preserved (>50%, HFpEF) left ventricular ejection fraction (LVEF) and subjects with cardiovascular risk factors and/or structural heart disease without established HF. All participants underwent clinical and laboratory evaluation, resting transthoracic echocardiography, and a combined cardiopulmonary-echocardiographic stress test with EBA monitoring at rest (EBArest) and during exercise (EBAex).Results.Patients with HFpEF (n= 62) were older and more often female than those at risk of HF (n= 50) or with HFrEF (n= 41). EBArest(1.5, interquartile range (IQR) 1.0-3.1 vs 0.9, IQR 0.7-1.2 mcg l-1) and EBAex(2.4, IQR 1.5-4.4 vs 1.1, IQR 0.9-2.1 mcg l-1; allp< 0.0001) were significantly higher in patients with HF compared to others. Among HF patients, those in the highest EBAresttertile had lower LVEF, greater echocardiographic signs of congestion, higher NT-proBNP levels, and lower peak oxygen consumption, indicating impaired exercise capacity. In multivariate regression, NT-proBNP (p= 0.0004) and the slope of minute ventilation to carbon dioxide production (p= 0.0013) were independent predictors of EBArest(adjustedR2= 0.458).Conclusions.EBA concentrations are higher in patients with HF compared to those without, regardless of LVEF, and are associated with markers of disease severity. Further studies are needed to determine whether EBA measurement can aid in HF diagnosis and management.

背景:呼气丙酮(EBA)浓度升高可能反映心肌能量和血流动力学应激受损。我们研究了心力衰竭(HF)患者或有心力衰竭风险的患者EBA与心脏结构、功能和运动能力的关系。方法:我们招募了心力衰竭和左心室射血分数(LVEF)降低(50%,HFpEF)的门诊患者,以及有心血管危险因素和/或没有确定心力衰竭的结构性心脏病的患者。所有参与者都进行了临床和实验室评估,静息时经胸超声心动图,以及在静息(earest)和运动(EBAex)时监测EBA的心肺-超声心动图联合应激试验。结果:HFpEF患者(n=62)比HF (n=50)或HFrEF (n=41)患者年龄更大,女性更多。ebaest(1.5,四分位数范围[IQR] 1.0-3.1 vs 0.9, IQR 0.7-1.2 mcg/L)和EBAex (2.4, IQR 1.5-4.4 vs 1.1, IQR 0.9-2.1 mcg/L);均p结论:无论LVEF如何,HF患者的EBA浓度高于无HF患者,且与疾病严重程度标志物相关。需要进一步的研究来确定EBA测量是否有助于HF的诊断和治疗。
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引用次数: 0
Breathing under siege: a narrative review on the potential biological mechanisms linking micro- and nanoplastic exposure to lung diseases. 围攻下的呼吸:关于微和纳米塑料暴露于肺部疾病的潜在生物学机制的述评。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-11-07 DOI: 10.1088/1752-7163/ae1862
Vipula R Bataduwaarachchi, D Cruz Lg, Thomas Brown, Anoop J Chauhan

Atmospheric microplastics and nanoplastics (MPs/NPs) have become an increasing concern, with health impacts that remain insufficiently characterised and measured. Indoor airborne MP/NPs have raised greater alarm due to their origins in routine domestic activities and sources such as synthetic textiles, bed linen, face masks, electric dryers, and household laundry, posing a high inhalation risk that can lead to serious health consequences. These particles can enter the human body through various routes, with inhalation being the main pathway for both short- and long-term health effects. Additionally, they are engulfed by epithelial and immune cells, causing multiple pathological effects on the lungs, which can subsequently lead to or contribute to various disease entities. This narrative review thoroughly explores potential cellular, genetic, and immunological mechanisms by which MP/NPs impact the respiratory system, emphasising immune mediators and cytosolic pathways involved, and linking these mechanisms to various pulmonary diseases.

大气微塑料和纳米塑料(MP/NP)已成为越来越令人关注的问题,其对健康的影响仍然没有得到充分的表征和测量。室内空气传播的MP/NPs已经引起了更大的警报,因为它们起源于日常的家庭活动和来源,如合成纺织品、床上用品、口罩、电动烘干机和家用衣物,具有很高的吸入风险,可能导致严重的健康后果。这些颗粒可以通过各种途径进入人体,吸入是短期和长期健康影响的主要途径。此外,它们被上皮细胞和免疫细胞吞噬,对肺部造成多种病理影响,从而导致或促成各种疾病实体。本文深入探讨了MP/NPs影响呼吸系统的潜在细胞、遗传和免疫机制,强调了所涉及的免疫介质和细胞质途径,并将这些机制与各种肺部疾病联系起来。
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引用次数: 0
Evaluation of lung oxidative stress and inflammatory state using exhaled breath condensate analysis in early-life arsenic exposure. 使用呼气冷凝物分析评估早期砷暴露的肺氧化应激和炎症状态。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-10-21 DOI: 10.1088/1752-7163/ae0510
Jim K Mansoor, Eva Borras, Emily M Wong, Liliana P Rodriguez, Amanda Silveira, Catterina Ferreccio, Cristina E Davis, Craig Steinmaus, Edward S Schelegle

Millions of people worldwide are exposed to environmental arsenic in drinking water, resulting in both malignant and nonmalignant diseases. Interestingly, early life exposure by itself is sufficient to produce higher incidences of these diseases later in life. Based on the delayed onset of disease, we hypothesized that early life arsenic exposure would also induce long-term alterations in the metabolic profile. The objective of this study was to examine metabolomic biomarkers in exhaled breath condensate (EBC) of individuals exposed to arsenic in drinking water early in life, but not later. One hundred and fifty subjects (75 males and 75 females) were initially recruited from Antofagasta, Chile, some of whom were exposed to high water arsenic levels (⩾870µg l-1; HighAE group), and others, low water arsenic levels (⩽110µg l-1; LowAE group) early in life (1958-1970). EBC samples were collected for targeted and untargeted metabolomic biomarker analysis. The results showed significantly shorter individuals and reduced pulmonary functions (forced vital capacity, FVC and forced expiratory volume in 1 s, FEV1) in both males and females in the high-arsenic groups. Males exposed to high arsenic levels also had reduced red blood cell concentrations, as well as higher concentrations of the oxidative stress metabolites 8-OH-2dG and 8-iso-PGF2α. Females in the high-arsenic group showed reductions in 8-OH-2dG. Untargeted analysis revealed metabolomic markers that differentiated the HighAE group from the LowAE group, with a subgroup of markers whose concentrations were proportional to the level of arsenic exposure. Targeted and untargeted analyses of EBC using liquid chromatography-mass spectrometry indicated that adults exposed to high arsenic levels in drinking water in utero and during early childhood retained a modified metabolic profile 47 years after the end of exposure.

导言:全世界有数百万人接触到饮用水中的环境砷,导致恶性和非恶性疾病。有趣的是,早期生活本身就足以使这些疾病在以后的生活中产生更高的发病率。基于疾病的延迟发病,我们假设生命早期砷暴露也会导致代谢谱的长期改变。本研究的目的是检测在生命早期(但不是以后)暴露于饮用水中砷的个体呼出冷凝水(EBC)中的代谢组学生物标志物。受试者和方法:最初从智利Antofagasta招募了150名受试者(75名男性和75名女性),其中一些人在生命早期(1958-1970)暴露于高砷水水平(≥870 μ g/L, highhae组),另一些人暴露于低砷水水平(≤110 μ g/L, LowAE组)。收集呼出液样本进行靶向和非靶向代谢组学生物标志物分析。结果:高砷组男性和女性的个体明显变短,肺功能(用力肺活量、FVC和1秒用力呼气量、FEV1)明显降低。暴露于高砷水平的雄性小鼠的红细胞浓度也降低了,氧化应激代谢物8-OH-2dG和8-iso-PGF2a的浓度也升高了。高砷组的女性表现出8-OH-2dG的减少。非靶向分析显示,代谢组学标志物将highhae组与LowAE组区分开来,其中一亚组标志物的浓度与砷暴露水平成正比。结论:使用LC-MS对EBC进行靶向和非靶向分析表明,在子宫内和儿童早期暴露于高砷饮用水中的成年人在暴露结束后47年仍保留了改变的代谢谱。 。
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引用次数: 0
Combining untargeted and targeted metabolomics to identify diagnostic biomarkers of adenoid hypertrophy. 结合非靶向和靶向代谢组学鉴定腺样体肥大的诊断性生物标志物。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-10-21 DOI: 10.1088/1752-7163/ae0dac
Yao Duan, Nian Li, Jingye Gu, Liting Ma, Si Wu, Yuhan Xie, Jianing Liu, Qiulu Zhao, Hao Yue, Zifeng Pi, Yinan Guo

Adenoid hypertrophy (AH) is a common condition among pediatric and adolescent populations. The clinical diagnosis primarily relies on rhinoscopy, with a notable absence of noninvasive early diagnostic methods. This study sought to identify potential biomarkers to facilitate the early diagnosis of AH. Ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) was employed to analyze and compare urine samples from 40 patients with AH and 30 healthy controls. To validate and enhance the findings from untargeted metabolomics, targeted metabolomics was conducted using UHPLC-QqQ-MS/MS, aiming to elucidate the relationship between AH and metabolic pathways. The untargeted metabolomics analysis, utilizing multivariate techniques, identified significant differences in the levels of 20 endogenous metabolites in urine samples between the AH and healthy groups. Further investigation of metabolic pathways indicated that sphingolipid and riboflavin metabolism are implicated in the pathogenesis of AH. Riboflavin and phytosphingosine were identified as potential biomarkers using targeted metabolomics. In this study, a comprehensive approach involving both untargeted and targeted metabolomics was employed to investigate diagnostic biomarkers of AH. The abnormal expression levels of riboflavin and phytosphingosine may be related to inflammation, oxidative damage, and immunomodulatory dysfunction in the pathogenesis of AH. The results showed that the identified biomarkers may serve as a novel tool for early diagnosis and tracking of disease progression.

腺样体肥大(AH)是儿科和青少年人群中的一种常见疾病。临床诊断主要依靠鼻镜检查,明显缺乏无创早期诊断方法。本研究旨在确定潜在的生物标志物,以促进AH的早期诊断。采用超高效液相色谱-四极杆飞行时间质谱(UHPLC-Q-TOF-MS/MS)对40例AH患者和30例健康对照者的尿液样本进行分析比较。为了验证和增强非靶向代谢组学的发现,我们采用超高效液相色谱-三重四极杆质谱(UHPLC-QqQ-MS/MS)进行靶向代谢组学研究,旨在阐明AH与代谢途径之间的关系。利用多变量技术进行的非靶向代谢组学分析发现,AH组和健康组尿液样本中20种内源性代谢物的水平存在显著差异。代谢途径的进一步研究表明鞘脂和核黄素代谢参与了AH的发病机制。利用靶向代谢组学鉴定核黄素和植鞘苷为潜在的生物标志物。在这项研究中,采用了一种综合的方法,包括非靶向和靶向代谢组学来研究AH的诊断生物标志物。核黄素和鞘氨醇的异常表达水平可能与炎症、氧化损伤、免疫调节功能障碍有关。结果表明,鉴定的生物标志物可作为早期诊断和跟踪疾病进展的新工具。
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引用次数: 0
Comparison of the suitability of different sampling techniques for exhaled volatile organic compounds in dairy cows. 不同采样技术对奶牛呼出挥发性有机化合物的适用性比较。
IF 3.4 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-10-16 DOI: 10.1088/1752-7163/ae0fbb
Julia Eichinger, Lucie K Tintrop, Raphael Siegenthaler, Anna-Maria Reiche, Frigga Dohme-Meier, Pascal Fuchsmann

Currently, there are no standardized procedures for sampling exhaled volatile organic compounds (VOCs) from dairy cows. Therefore, this study aimed to compare exhaled VOCs captured on solid-phase extraction (SPE) cartridges using five variants of three breath collection devices (face mask and GreenFeed system [C-Lock, South Dakota, US] collecting unfiltered [GreenFeedU] and filtered [GreenFeedF] air). The variants were: a tight-fitting face mask (MaskN), the MaskNwith the openings sealed using activated carbon filters (MaskF), the MaskNcovered with an over-mask ventilated with synthetic air for cow breathing (MaskV), the GreenFeedU, and the GreenFeedF. The variants were compared in two experiments (trial registration number (2023-30-FR) regarding possible VOC carryover over the samples (experiment 1) and their suitability for sampling exhaled VOC from cows (experiment 2). In both experiments, the SPE cartridges were connected to capture VOCs from collected air before GC-MS-based analysis. In experiment 1, our data showed evidence for VOC deposits and potential VOC carryover, particularly for GreenFeedU(16.3%). In exhaled breath samples from experiment 2, we detected 1217 ± 197 peaks. After subtracting the background air peaks, the exhaled VOCs consisted mostly of esters (20.9%), ketones (13.2%), and alkanes (13.0%). MaskVdetected the highest number of aldehydes, ketones, alcohols, alkanes, and alkenes, and GreenFeedUthe highest number of esters. The highest relative concentrations of most individual exhaled VOC were detected using MaskV. The tested variants, except MaskFdue to low acceptance of the animals, seemed suitable for exhaled VOC sampling, with MaskVseemed to be most suitable due to the detection of the highest VOC number and the lowest VOC carryover.

目前,对奶牛呼出的挥发性有机化合物(VOCs)进行采样还没有标准化的程序。因此,本研究旨在比较使用三种呼吸收集设备(面罩和GreenFeed系统[C-Lock, South Dakota, US]收集未过滤的[GreenFeedU]和过滤的[GreenFeedF]空气)的五种不同版本的固相萃取(SPE)滤芯捕获的呼出voc。这些变体是: ;-紧贴面面罩(MaskN), ;-面罩的洞口使用活性炭过滤器密封(MaskF), ;-面罩覆盖着用合成空气通风的面罩(MaskV), - GreenFeedU, - GreenFeedF。在两个实验(试验注册号(2023-30-FR))中,比较了这些变异对样品可能携带的VOC(实验1)及其对奶牛呼出VOC采样的适用性(实验2)。在这两个实验中,在gc - ms分析之前,连接SPE筒从收集的空气中捕获VOCs。在实验1中,我们的数据显示了VOC沉积和潜在VOC残留的证据,特别是GreenFeedU(16.3%)。在实验2的呼气样本中,我们检测到1217±197个峰。扣除背景峰后,呼出的VOCs主要为酯类(20.9%)、酮类(13.2%)和烷烃类(13.0%)。MaskV检测到的醛类、酮类、醇类、烷烃和烯烃数量最多,GreenFeedU检测到的酯类数量最多。使用MaskV检测大多数个体呼出VOC的最高相对浓度。测试的变体,除了由于动物接受度低而导致的MaskF,似乎适合于呼气VOC采样,其中MaskV似乎是最合适的,因为检测到最高的VOC数量和最低的VOC携带量。& # xD。
{"title":"Comparison of the suitability of different sampling techniques for exhaled volatile organic compounds in dairy cows.","authors":"Julia Eichinger, Lucie K Tintrop, Raphael Siegenthaler, Anna-Maria Reiche, Frigga Dohme-Meier, Pascal Fuchsmann","doi":"10.1088/1752-7163/ae0fbb","DOIUrl":"10.1088/1752-7163/ae0fbb","url":null,"abstract":"<p><p>Currently, there are no standardized procedures for sampling exhaled volatile organic compounds (VOCs) from dairy cows. Therefore, this study aimed to compare exhaled VOCs captured on solid-phase extraction (SPE) cartridges using five variants of three breath collection devices (face mask and GreenFeed system [C-Lock, South Dakota, US] collecting unfiltered [GreenFeed<sub>U</sub>] and filtered [GreenFeed<sub>F</sub>] air). The variants were: a tight-fitting face mask (Mask<sub>N</sub>), the Mask<sub>N</sub>with the openings sealed using activated carbon filters (Mask<sub>F</sub>), the Mask<sub>N</sub>covered with an over-mask ventilated with synthetic air for cow breathing (Mask<sub>V</sub>), the GreenFeed<sub>U</sub>, and the GreenFeed<sub>F</sub>. The variants were compared in two experiments (trial registration number (2023-30-FR) regarding possible VOC carryover over the samples (experiment 1) and their suitability for sampling exhaled VOC from cows (experiment 2). In both experiments, the SPE cartridges were connected to capture VOCs from collected air before GC-MS-based analysis. In experiment 1, our data showed evidence for VOC deposits and potential VOC carryover, particularly for GreenFeed<sub>U</sub>(16.3%). In exhaled breath samples from experiment 2, we detected 1217 ± 197 peaks. After subtracting the background air peaks, the exhaled VOCs consisted mostly of esters (20.9%), ketones (13.2%), and alkanes (13.0%). Mask<sub>V</sub>detected the highest number of aldehydes, ketones, alcohols, alkanes, and alkenes, and GreenFeed<sub>U</sub>the highest number of esters. The highest relative concentrations of most individual exhaled VOC were detected using Mask<sub>V</sub>. The tested variants, except Mask<sub>F</sub>due to low acceptance of the animals, seemed suitable for exhaled VOC sampling, with Mask<sub>V</sub>seemed to be most suitable due to the detection of the highest VOC number and the lowest VOC carryover.</p>","PeriodicalId":15306,"journal":{"name":"Journal of breath research","volume":" ","pages":""},"PeriodicalIF":3.4,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145238640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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Journal of breath research
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