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Exhaled breath analysis for the discrimination of asthma and chronic obstructive pulmonary disease. 用于鉴别哮喘和慢性阻塞性肺病的呼气分析。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-07-10 DOI: 10.1088/1752-7163/ad53f8
Lan Li, Haibin Chen, Jinying Shi, Shukun Chai, Li Yan, Deyang Meng, Zhigang Cai, Jitao Guan, Yunwei Xin, Xu Zhang, Wuzhuang Sun, Xi Lu, Mengqi He, Qingyun Li, Xixin Yan

Chronic obstructive pulmonary disease (COPD) and asthma are the most common chronic respiratory diseases. In middle-aged and elderly patients, it is difficult to distinguish between COPD and asthma based on clinical symptoms and pulmonary function examinations in clinical practice. Thus, an accurate and reliable inspection method is required. In this study, we aimed to identify breath biomarkers and evaluate the accuracy of breathomics-based methods for discriminating between COPD and asthma. In this multi-center cross-sectional study, exhaled breath samples were collected from 89 patients with COPD and 73 with asthma and detected on a high-pressure photon ionization time-of-flight mass spectrometry (HPPI-TOFMS) platform from 20 October 2022, to 20 May 2023, in four hospitals. Data analysis was performed from 15 June 2023 to 16 August 2023. The sensitivity, specificity, and accuracy were calculated to assess the overall performance of the volatile organic component (VOC)-based COPD and asthma discrimination models. Potential VOC markers related to COPD and asthma were also analyzed. The age of all participants ranged from to 18-86 years, and 54 (33.3%) were men. The age [median (minimum, maximum)] of COPD and asthma participants were 66.0 (46.0, 86.0), and 44.0 (17.0, 80.0). The male and female ratio of COPD and asthma participants were 14/75 and 40/33, respectively. Based on breathomics feature selection, ten VOCs were identified as COPD and asthma discrimination biomarkers via breath testing. The joint panel of these ten VOCs achieved an area under the curve of 0.843, sensitivity of 75.9%, specificity of 87.5%, and accuracy of 80.0% in COPD and asthma discrimination. Furthermore, the VOCs detected in the breath samples were closely related to the clinical characteristics of COPD and asthma. The VOC-based COPD and asthma discrimination model showed good accuracy, providing a new strategy for clinical diagnosis. Breathomics-based methods may play an important role in the diagnosis of COPD and asthma.

摘要 背景 慢性阻塞性肺疾病(COPD)和哮喘是最常见的慢性呼吸系统疾病。在临床实践中,中老年患者很难根据临床症状和肺功能检查来区分 COPD 和哮喘。本研究旨在确定呼吸生物标志物,并评估基于呼吸组学的方法区分慢性阻塞性肺病和哮喘的准确性。在这项多中心横断面研究中,我们从 2022 年 10 月 20 日至 2023 年 5 月 20 日在四家医院收集了 89 名慢性阻塞性肺病患者和 73 名哮喘患者的呼气样本,并在高压光子电离飞行时间质谱(HPPI-TOFMS)平台上进行了检测。数据分析于 2023 年 6 月 15 日至 2023 年 8 月 16 日进行。通过计算灵敏度、特异性和准确性来评估基于挥发性有机化合物的慢性阻塞性肺病和哮喘鉴别模型的整体性能。此外,还分析了与慢性阻塞性肺病和哮喘相关的潜在挥发性有机化合物标记物。 结果 所有参与者的年龄在 18-86 岁之间,男性 54 人(33.3%)。根据呼气组学特征选择,通过呼气测试确定了 10 种挥发性有机化合物作为慢性阻塞性肺病和哮喘的鉴别生物标志物。这十种挥发性有机化合物的联合面板在慢性阻塞性肺病和哮喘鉴别中的曲线下面积(AUC)为 0.843,灵敏度为 75.9%,特异度为 87.5%,准确度为 80.0%。此外,呼气样本中检测到的挥发性有机化合物与慢性阻塞性肺病和哮喘的临床特征密切相关。基于呼吸组学的方法可在慢性阻塞性肺病和哮喘的诊断中发挥重要作用。
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引用次数: 0
Benchmarking breath analysis using peppermint approach with gas chromatography ion mobility spectrometer coupled to micro thermal desorber. 利用气相色谱离子迁移谱仪和微型热脱附仪,采用薄荷方法对呼气进行基准分析。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-07-04 DOI: 10.1088/1752-7163/ad5863
Dorota M Ruszkiewicz, Kristian J Kiland, Yoonseo Mok, Crista Bartolomeu, Scott A Borden, Paul Thomas, Stephen Lam, Renelle Myers

The Peppermint Initiative, established within the International Association of Breath Research, introduced the peppermint protocol, a breath analysis benchmarking effort designed to address the lack of inter-comparability of outcomes across different breath sampling techniques and analytical platforms. Benchmarking with gas chromatography-ion mobility spectrometry (GC-IMS) using peppermint has been previously reported however, coupling micro-thermal desorption (µTD) to GC-IMS has not yet, been benchmarked for breath analysis. To benchmarkµTD-GC-IMS for breath analysis using the peppermint protocol. Ten healthy participants (4 males and 6 females, aged 20-73 years), were enrolled to give six breath samples into Nalophan bags via a modified peppermint protocol. Breath sampling after peppermint ingestion occurred over 6 h att= 60, 120, 200, 280, and 360 min. The breath samples (120 cm3) were pre-concentrated in theµTD before being transferred into the GC-IMS for detection. Data was processed using VOCal, including background subtractions, peak volume measurements, and room air assessment. During peppermint washout, eucalyptol showed the highest change in concentration levels, followed byα-pinene andβ-pinene. The reproducibility of the technique for breath analysis was demonstrated by constructing logarithmic washout curves, with the average linearity coefficient ofR2= 0.99. The time to baseline (benchmark) value for the eucalyptol washout was 1111 min (95% CI: 529-1693 min), obtained by extrapolating the average logarithmic washout curve. The study demonstrated thatµTD-GC-IMS is reproducible and suitable technique for breath analysis, with benchmark values for eucalyptol comparable to the gold standard GC-MS.

背景 在国际呼气研究协会(International Association of Breath Research)内成立的薄荷计划(Peppermint Initiative)推出了薄荷协议,这是一项呼气分析基准测试工作,旨在解决不同呼气采样技术和分析平台的结果缺乏相互可比性的问题。使用薄荷进行气相色谱-离子迁移谱法(GC-IMS)的基准测试之前已有报道,但将微热解吸附(µTD)与气相色谱-离子迁移谱法(GC-IMS)联用进行呼气分析的基准测试还没有报道。 目标 为使用薄荷协议进行呼气分析的 µTD-GC-IMS 设定基准。 方法 10 名健康的参与者(4 男 6 女,年龄在 20 - 73 岁之间)通过改良的薄荷协议在纳洛芬袋中采集了 6 份呼气样本。在摄入薄荷后的 6 小时内,分别在 t = 60、120、200、280 和 360 分钟时进行呼气采样。呼气样本(120 立方厘米)在转移到 GC-IMS 进行检测之前,已在 µTD 中进行了预浓缩。使用 VOCal 对数据进行处理,包括背景减去、峰值体积测量和室内空气评估。 结果 在薄荷洗脱过程中,桉叶油醇的浓度水平变化最大,其次是 α-蒎烯和β-蒎烯。通过构建对数冲洗曲线,证明了呼气分析技术的重现性,平均线性系数为 R2 = 0.99。通过推断平均对数洗脱曲线,桉叶油醇洗脱的基线(基准)时间为 1111 分钟(95% CI:529-1693 分钟)。我们获得了 µTD-GC-IMS 的基准值(桉叶油醇洗脱),桉叶油醇的基准值为 1111 分钟(95% CI:529-1693 分钟),与黄金标准 GC-MS 相当。
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引用次数: 0
Electronic nose based analysis of exhaled volatile organic compounds spectrum reveals asthmatic shifts and consistency in controls post-exercise and spirometry. 基于电子鼻的呼出挥发性有机化合物频谱分析揭示了哮喘的转变以及运动后和肺活量测定对照组的一致性。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-06-26 DOI: 10.1088/1752-7163/ad5864
Silvano Dragonieri, Marcin Di Marco, Madiha Ahroud, Vitaliano Nicola Quaranta, Andrea Portacci, Ilaria Iorillo, Francesca Montagnolo, Giovanna Elisiana Carpagnano

Analyzing exhaled volatile organic compounds (VOCs) with an electronic nose (e-nose) is emerging in medical diagnostics as a non-invasive, quick, and sensitive method for disease detection and monitoring. This study investigates if activities like spirometry or physical exercise affect exhaled VOCs measurements in asthmatics and healthy individuals, a crucial step for e-nose technology's validation for clinical use. The study analyzed exhaled VOCs using an e-nose in 27 healthy individuals and 27 patients with stable asthma, before and after performing spirometry and climbing five flights of stairs. Breath samples were collected using a validated technique and analyzed with a Cyranose 320 e-nose. In healthy controls, the exhaled VOCs spectrum remained unchanged after both lung function test and exercise. In asthmatics, principal component analysis and subsequent discriminant analysis revealed significant differences post-spirometry (vs. baseline 66.7% cross validated accuracy [CVA],p< 0.05) and exercise (vs. baseline 70.4% CVA,p< 0.05). E-nose measurements in healthy individuals are consistent, unaffected by spirometry or physical exercise. However, in asthma patients, significant changes in exhaled VOCs were detected post-activities, indicating airway responses likely due to constriction or inflammation, underscoring the e-nose's potential for respiratory condition diagnosis and monitoring.

背景:使用电子鼻(e-nose)分析呼出的挥发性有机化合物(VOCs)作为一种无创、快速、灵敏的疾病检测和监控方法,正在医疗诊断领域崭露头角。本研究调查了肺活量测定或体育锻炼等活动是否会影响哮喘患者和健康人呼出的挥发性有机化合物测量值,这是电子鼻技术临床应用验证的关键一步:研究使用电子鼻分析了 27 名健康人和 27 名稳定期哮喘患者在进行肺活量测定和爬五层楼梯前后呼出的挥发性有机化合物。研究人员使用经过验证的技术收集呼气样本,并使用 Cyranose 320 电子鼻进行分析:在健康对照组中,肺功能测试和运动后呼出的挥发性有机化合物谱保持不变。在哮喘患者中,主成分分析和随后的判别分析显示出呼吸测定后的显著差异(与基线66.7%的交叉验证准确度[CVA]相比,P<0.05)。
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引用次数: 0
Reference equations for exhaled nitric oxide-what is needed? 呼出一氧化氮参考方程--需要什么?
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-06-14 DOI: 10.1088/1752-7163/ad4aba
Marieann Högman

Standardisation is the road to improvement! If we all measure exhaled nitric oxide (NO) the same way, we will be successful in having data to make reference questions. Many research groups have published their reference equation, but most differ considerably. About 25 years ago, using the flow of 50 ml s-1was recommended and not using a nose clip. When collecting data worldwide, we still see publications that do not indicate what flow was used and that nose clip was utilised. Three things are needed: the analysing method, a flow recording and a filled-in nitric oxide questionnaire. The analysing method is because the techniques have different sensitivity, response times and calibration. The flow of 50 ml s-1is on the steep part of the NO output curve; therefore, we need to record the flow to analyse repeated measurements or compare results. The NO questionnaire controls individual factors that may influence the NO measurements, i.e. food intake, smoking and upper airway infection. An important tool in following old and new disease treatments, at home or in health care, is exhaled biomarkers. If we follow the standardisation we have agreed upon, we will be able to have data to say what a high or a low exhaled NO value is.

标准化是改进之路!如果我们都用同样的方法测量呼出的一氧化氮(NO),我们就能成功地获得数据来提出参考问题。许多研究小组都公布了他们的参考方程,但大多数差异很大。大约 25 年前,我们推荐使用 50 mL s-1 的流量,并且不使用鼻夹。在全球范围内收集数据时,我们仍能看到一些出版物没有说明使用的流量和鼻夹。我们需要三样东西:分析方法、流量记录和填写的一氧化氮问卷。分析方法是因为不同技术有不同的灵敏度、响应时间和校准。50 mL s-1 的流量位于一氧化氮输出曲线的陡峭部分;因此,我们需要记录流量,以便分析重复测量或比较结果。NO 问卷可控制可能影响 NO 测量的个体因素,即食物摄入量、吸烟和上呼吸道感染。呼出的生物标记物是在家庭或医疗机构中跟踪新旧疾病治疗的重要工具。如果我们遵循已达成共识的标准化方法,我们就能获得数据来说明呼出的 NO 值是高还是低。
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引用次数: 0
Dental restorative materials and halitosis: a preliminaryin-vitrostudy. 牙科修复材料与口臭:体外初步研究
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-23 DOI: 10.1088/1752-7163/ad4b57
Tuğçe Odabaş, Osman Tolga Harorlı

Despite the widespread use of dental restorative materials, little information exists in the literature regarding their potential impact on bad breath. This in vitro study aims to fill this gap by investigating the influence of different restorative materials on the release of hydrogen sulfide (H2S). Thirteen diverse dental restorative materials, including composites, flowable composites, glass ionomer restorative materials, high-copper amalgam, and CAD-CAM blocks, were examined. Cellulose Sponge models were used as negative and positive control. All samples were prepared with a diameter of 5 mm and a height of 2 mm. Except for the negative control group, all samples were embedded into Allium cepa L., and the emitted H2S was measured using the Wintact W8802 hydrogen sulfide monitor. Surface roughness's effect on emission was explored by roughening the surfaces of CAD-CAM material samples, and gas emission was measured again. The data were statistically analyzed using the Kruskal-Wallis test and DSCF pairwise comparison tests. Fiber-reinforced flowable composite (EverX Flow), amalgam (Nova 70-caps), and certain composite materials (IPS Empress Direct, Tetric Evoceram, Admira Fusion X-tra) released higher H2S concentrations compared to the negative control. The H2S release period lasted longer in the same materials mentioned above, along with G-aenial Universal Injectable. Indirectly used materials, such as GC Cerasmart, Vita Enamic, and Vita YZ HT, demonstrated significantly lower emissions compared to other direct restoratives. Importantly, the surface roughness of indirect materials did not significantly affect peak H2S concentrations or release times. The study reveals variations in H2S release among restorative materials, suggesting potential advantages of indirect restorative materials in reducing H2S-induced halitosis. This comprehensive understanding of the relationship between restorative materials and halitosis can empower both dental professionals and patients to make well-informed treatment choices. Notably, there is evidence supporting the enhanced performance of indirect restorative materials for individuals affected by halitosis.

尽管牙科修复材料被广泛使用,但有关它们对口臭的潜在影响的文献资料却很少。这项体外研究旨在通过调查不同修复材料对硫化氢(H2S)释放的影响来填补这一空白。研究考察了 13 种不同的牙科修复材料,包括复合材料、可流动复合材料、玻璃离子聚合物修复材料、高铜汞合金和 CAD-CAM 块。纤维素海绵模型被用作阴性和阳性对照。所有样品的直径为 5 毫米,高度为 2 毫米。除阴性对照组外,所有样品都被嵌入到 Allium cepa L.中,并使用 Wintact W8802 硫化氢监测仪测量 H2S 的释放量。 通过使 CAD-CAM 材料样品表面粗糙化来探索表面粗糙度对释放量的影响,并再次测量气体释放量。数据采用 Kruskal-Wallis 检验和 DSCF 配对比较检验进行统计分析。与阴性对照组相比,纤维增强可流动复合材料(EverX Flow)、汞合金(Nova 70-caps)和某些复合材料(IPS Empress Direct、Tetric Evoceram、Admira Fusion X-tra)释放的 H2S 浓度较高。上述材料和 G-aenial 通用注射剂的 H2S 释放期更长。与其他直接修复体相比,间接使用的材料,如 GC Cerasmart、Vita Enamic 和 Vita YZ HT 的释放量明显较低。重要的是,间接材料的表面粗糙度对 H2S 的峰值浓度或释放时间没有明显影响。这项研究揭示了不同修复材料在 H2S 释放方面的差异,表明间接修复材料在减少 H2S 引起的口臭方面具有潜在优势。值得注意的是,有证据支持间接修复材料可提高口臭患者的治疗效果。
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引用次数: 0
Impact of breath sample collection method and length of storage of breath samples in Tedlar bags on the level of selected volatiles assessed using gas chromatography-ion mobility spectrometry (GC-IMS). 使用气相色谱-离子迁移谱法(GC-IMS)评估呼气样本收集方法和在 Tedlar 袋中储存呼气样本的时间对选定挥发性物质含量的影响。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-17 DOI: 10.1088/1752-7163/ad4736
Barbora Czippelová, Slavomíra Nováková, Miroslava Šarlinová, Eva Baranovičová, Anna Urbanová, Zuzana Turianiková, Jana Čerňanová Krohová, Erika Halašová, Henrieta Škovierová

The analysis of volatile organic compounds (VOCs) in exhaled air has attracted the interest of the scientific community because it provides the possibility of monitoring physiological and metabolic processes and non-invasive diagnostics of various diseases. However, this method remains underused in clinical practice as well as in research because of the lack of standardized procedures for the collection, storage and transport of breath samples, which would guarantee good reproducibility and comparability of results. The method of sampling, as well as the storage time of the breath samples in the polymer bags used for sample storage and transport, affect the composition and concentration of VOCs present in the breath samples. The aim of our study was to compare breath samples obtained using two methods with fully disposable equipment: a Haldane sampling tube intended for direct breath collection and breath samples exhaled into a transparent Tedlar bag. The second task was to monitor the stability of selected compounds of real breath samples stored in a Tedlar bag for 6 h. Gas chromatography coupled with ion mobility spectrometry (GC-IMS) implemented in the BreathSpec®device was used to analyse exhaled breath. Our results showed a significant difference in the signal intensity of some volatiles when taking a breath sample with a Haldane tube and a Tedlar bag. Due to its endogenous origin, acetone levels were significantly higher when the Haldane tube sampler was used while elevated levels of 2-propanol and unidentified VOC (designated as VOC 3) in the Tedlar bag samples likely originated from contamination of the Tedlar bags. The VOC stability study revealed compound-specific signal intensity changes of the selected VOCs with storage time in the Tedlar bags, with some volatiles showing increasing signal intensity during storage in Tedlar bags. This limits the use of Tedlar bags only for very limited time and carefully selected purpose. Our results highlight the importance of careful design and implementation of experiments and clinical protocols to obtain relevant and reliable results.

呼出空气中挥发性有机化合物 (VOC) 的分析引起了科学界的兴趣,因为它提供了监测生理和代谢过程以及对各种疾病进行无创诊断的可能性。然而,由于缺乏收集、储存和运输呼气样本的标准化程序,这种方法在临床实践和研究中仍未得到充分利用,无法保证结果的良好重现性和可比性。采样方法以及呼气样本在用于样本储存和运输的聚合物袋中的储存时间会影响呼气样本中挥发性有机化合物的成分和浓度。我们的研究旨在比较使用两种方法和完全一次性设备获取的呼气样本:直接采集呼气样本的霍尔丹采样管和呼入透明 Tedlar 袋的呼气样本。第二项任务是监测在 Tedlar 袋中储存 6 小时的真实呼气样本中特定化合物的稳定性。BreathSpec® 设备采用气相色谱-离子迁移谱法(GC-IMS)分析呼出的气体。结果表明,使用霍尔丹管和 Tedlar 袋采集呼气样本时,某些挥发性物质的信号强度存在明显差异。使用 Haldane 管采样器时,丙酮的含量明显较高,而使用 Tedlar 袋采样时,2-丙醇和不明挥发性有机化合物的含量较高,这可能是由于 Tedlar 袋受到了污染。挥发性有机化合物稳定性研究显示,所选挥发性有机化合物的特定信号强度会随着在 Tedlar 袋中储存时间的延长而发生变化,某些挥发物在 Tedlar 袋储存期间信号强度会增加。我们的研究结果凸显了精心设计和实施实验和临床方案对获得相关可靠结果的重要性。
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引用次数: 0
Exhaled breath analysis in patients with potentially curative lung cancer undergoing surgery: a longitudinal study. 可能治愈的肺癌手术患者的呼气分析:一项纵向研究。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-05-17 DOI: 10.1088/1752-7163/ad48a9
Jonas Herth, Felix Schmidt, Sarah Basler, Noriane A Sievi, Malcolm Kohler

Exhaled breath analysis has emerged as a non-invasive and promising method for early detection of lung cancer, offering a novel approach for diagnosis through the identification of specific biomarkers present in a patient's breath. For this longitudinal study, 29 treatment-naive patients with lung cancer were evaluated before and after surgery. Secondary electrospray ionization high-resolution mass spectrometry was used for exhaled breath analysis. Volatile organic compounds with absolute log2fold change ⩾1 andq-values ⩾ 0.71 were selected as potentially relevant. Exhaled breath analysis resulted in a total of 3482 features. 515 features showed a substantial difference before and after surgery. The small sample size generated a false positive rate of 0.71, therefore, around 154 of these 515 features were expected to be true changes. Biological identification of the features with the highest consistency (m/z-242.18428 andm/z-117.0539) revealed to potentially be 3-Oxotetradecanoic acid and Indole, respectively. Principal component analysis revealed a primary cluster of patients with a recurrent lung cancer, which remained undetected in the initial diagnostic and surgical procedures. The change of exhaled breath patterns after surgery in lung cancer emphasizes the potential for lung cancer screening and detection.

呼气分析已成为一种非侵入性的肺癌早期检测方法,通过识别患者呼气中存在的特定生物标记物,为诊断提供了一种新方法。在这项纵向研究中,29 名未经治疗的肺癌患者在手术前后接受了评估。采用二次电喷雾离子化高分辨质谱法对呼出的气体进行分析。筛选出绝对对数折合变化≥1且q值≥0.71的挥发性有机化合物作为潜在相关化合物。呼出气体分析共得出 3482 个特征。其中 515 个特征显示手术前后存在显著差异。由于样本量较小,假阳性率为 0.71,因此预计这 515 个特征中约有 154 个是真正的变化。经生物鉴定,一致性最高的特征(m/z -242.18428 和 m/z -117.0539)可能分别是 3-氧代十四烷酸和吲哚。主成分分析显示,复发性肺癌患者主要集中在一个群组中,在最初的诊断和手术过程中一直未被发现。肺癌手术后呼气模式的变化强调了肺癌筛查和检测的潜力。
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引用次数: 0
Optimization of volatile organic compounds sampling from dairy cow exhaled breath using polymer-based solid-phase extraction cartridges for gas chromatographic analysis. 使用聚合物固相萃取盒优化奶牛呼出气体中挥发性有机化合物的采样,以便进行气相色谱分析。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-04-16 DOI: 10.1088/1752-7163/ad38d5
Julia Eichinger, Anna-Maria Reiche, Frigga Dohme-Meier, Pascal Fuchsmann

We explored appropriate technical setups for the detection of volatile organic compounds (VOCs) from exhaled cow breath by comparing six different polymer-based solid-phase extraction (SPE) cartridges currently on the market for gas chromatography/mass spectrometry (GC-MS) screening. Exhaled breath was sampled at a single timepoint from five lactating dairy cows using six different SPE cartridges (Bond Elut ENV (ENV); Chromabond HRX (HRX); Chromabond HRP (HRP); Chromabond HLB (HLB); Chromabond HR-XCW (XCW) and Chromabond HR-XAW (XAW)). The trapped VOCs were analyzed by dynamic headspace vacuum in-tube extraction GC-MS (DHS-V-ITEX-GC-MS). Depending on the SPE cartridge, we detected 1174-1312 VOCs per cartridge. Most VOCs were alkenes, alkanes, esters, ketones, alcohols, aldehydes, amines, nitriles, ethers, amides, carboxylic acids, alkynes, azoles, terpenes, pyridines, or sulfur-containing compounds. The six SPE cartridges differed in their specificity for the chemical compounds, with the XAW cartridge showing the best specificity for ketones. The greatest differences between the tested SPE cartridges appeared in the detection of specific VOCs. In total, 176 different VOCs were detected with a match factor >80%. The greatest number of specific VOCs was captured by XAW (149), followed by ENV (118), HLB (117), HRP (115), HRX (114), and XCW (114). We conclude that the tested SPE cartridges are suitable for VOC sampling from exhaled cow breath, but the SPE cartridge choice enormously affects the detected chemical groups and the number of detected VOCs. Therefore, an appropriate SPE adsorbent cartridge should be selected according to our proposed inclusion criteria. For targeted metabolomics approaches, the SPE cartridge choice depends on the VOCs or chemical compound groups of interest based on our provided VOC list. For untargeted approaches without information on the animals' metabolic condition, we suggest using multi-sorbent SPE cartridges or multiple cartridges per animal.

通过比较目前市场上用于气相色谱-质谱筛选的六种不同的聚合物固相萃取(SPE)滤芯,我们探索了检测奶牛呼出气体中挥发性有机化合物(VOC)的适当技术设置。使用六种不同的固相萃取柱(Bond Elut ENV、Chromabond HRX、Chromabond HRP、Chromabond HLB、Chromabond HR-XCW 和 Chromabond HR-XAW)在单一时间点对五头泌乳奶牛的呼出气体进行采样。捕获的挥发性有机化合物采用动态顶空真空管内萃取气相色谱/质谱法(DHS-V-ITEX-GC-MS)进行分析。根据固相萃取柱的不同,我们在每个柱中检测到了 1174 至 1312 种挥发性有机化合物。大多数挥发性有机化合物是烯、烷、酯、酮、醇、醛、胺、腈、醚、酰胺、羧酸、炔、唑、萜烯、吡啶或含硫化合物。六种固相萃取柱对化合物的特异性各不相同,其中 XAW 柱对酮的特异性最好。在检测特定挥发性有机化合物方面,受测固相萃取柱之间的差异最大。总共检测到 176 种不同的挥发性有机化合物,匹配系数大于 80%。捕获特定挥发性有机化合物最多的是 XAW(149 种),其次是 ENV(118 种)、HLB(117 种)、HRP(115 种)、HRX(114 种)和 XCW(114 种)。我们得出结论:测试的固相萃取柱适用于从呼出的牛口气中进行挥发性有机化合物采样,但固相萃取柱的选择会极大地影响检测到的化学组和检测到的挥发性有机化合物的数量。因此,应根据我们提出的纳入标准选择合适的 SPE 吸附剂盒。对于有针对性的代谢组学方法,固相萃取柱的选择取决于根据我们提供的挥发性有机化合物清单所感兴趣的挥发性有机化合物或化合物组。对于没有动物代谢状况信息的非靶向方法,我们建议使用多吸附剂 SPE 试剂盒或每只动物使用多个试剂盒。
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引用次数: 0
Detection ofClostridioides difficileinfection by assessment of exhaled breath volatile organic compounds. 通过评估呼出气体中的挥发性有机化合物来检测艰难梭菌感染。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-03-28 DOI: 10.1088/1752-7163/ad3572
Teny M John, Nabin K Shrestha, Leen Hasan, Kirk Pappan, Owen Birch, David Grove, Billy Boyle, Max Allsworth, Priyanka Shrestha, Gary W Procop, Raed A Dweik

Clostridioides difficileinfection (CDI) is the leading cause of hospital-acquired infective diarrhea. Current methods for diagnosing CDI have limitations; enzyme immunoassays for toxin have low sensitivity andClostridioides difficilepolymerase chain reaction cannot differentiate infection from colonization. An ideal diagnostic test that incorporates microbial factors, host factors, and host-microbe interaction might characterize true infection. Assessing volatile organic compounds (VOCs) in exhaled breath may be a useful test for identifying CDI. To identify a wide selection of VOCs in exhaled breath, we used thermal desorption-gas chromatography-mass spectrometry to study breath samples from 17 patients with CDI. Age- and sex-matched patients with diarrhea and negativeC.difficiletesting (no CDI) were used as controls. Of the 65 VOCs tested, 9 were used to build a quadratic discriminant model that showed a final cross-validated accuracy of 74%, a sensitivity of 71%, a specificity of 76%, and a receiver operating characteristic area under the curve of 0.72. If these findings are proven by larger studies, breath VOC analysis may be a helpful adjunctive diagnostic test for CDI.

艰难梭菌感染(CDI)是医院感染性腹泻的主要病因。目前诊断 CDI 的方法有其局限性:毒素的酶免疫测定灵敏度低,艰难梭菌 PCR 无法区分感染和定植。结合微生物因素、宿主因素以及宿主与微生物相互作用的理想诊断检测也许能确定真正感染的特征。评估呼出气体中的挥发性有机化合物(VOC)可能是鉴别 CDI 的有用检测方法。为了鉴定呼出气体中的多种挥发性有机化合物,我们使用热脱附-气相色谱-质谱法研究了 17 名 CDI 患者的呼气样本。年龄和性别相匹配的腹泻患者和艰难梭菌检测阴性(无 CDI)患者作为对照组。在测试的 65 种挥发性有机化合物中,9 种被用于建立一个二次判别模型,该模型的最终交叉验证准确率为 74%,灵敏度为 71%,特异性为 76%,曲线下接收器操作特征面积为 0.72。如果这些发现被更大规模的研究证实,呼气 VOC 分析可能会成为 CDI 的辅助诊断测试。
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引用次数: 0
Volatilomic profiles of gastric juice in gastric cancer patients. 胃癌患者胃液的挥发性特征
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-03-21 DOI: 10.1088/1752-7163/ad324f
Linda Mezmale, Daria Ślefarska-Wolak, Manohar Prasad Bhandari, Clemens Ager, Viktors Veliks, Veronika Patsko, Andrii Lukashenko, Emmanuel Dias-Neto, Diana Noronha Nunes, Thais Fernanda Bartelli, Adriane Graicer Pelosof, Claudia Zitron Sztokfisz, Raúl Murillo, Agnieszka Królicka, Chris A Mayhew, Marcis Leja, Hossam Haick, Pawel Mochalski

Volatilomics is a powerful tool capable of providing novel biomarkers for the diagnosis of gastric cancer. The main objective of this study was to characterize the volatilomic signatures of gastric juice in order to identify potential alterations induced by gastric cancer. Gas chromatography with mass spectrometric detection, coupled with headspace solid phase microextraction as the pre-concentration technique, was used to identify volatile organic compounds (VOCs) released by gastric juice samples collected from 78 gastric cancer patients and two cohorts of controls (80 and 96 subjects) from four different locations (Latvia, Ukraine, Brazil, and Colombia). 1440 distinct compounds were identified in samples obtained from patients and 1422 in samples provided by controls. However, only 6% of the VOCs exhibited an incidence higher than 20%. Amongst the volatiles emitted, 18 showed differences in their headspace concentrations above gastric juice of cancer patients and controls. Ten of these (1-propanol, 2,3-butanedione, 2-pentanone, benzeneacetaldehyde, 3-methylbutanal, butylated hydroxytoluene, 2-pentyl-furan, 2-ethylhexanal, 2-methylpropanal and phenol) appeared at significantly higher levels in the headspace of the gastric juice samples obtained from patients; whereas, eight species showed lower abundance in patients than found in controls. Given that the difference in the volatilomic signatures can be explained by cancer-related changes in the activity of certain enzymes or pathways, the former set can be considered potential biomarkers for gastric cancer, which may assist in developing non-invasive breath tests for the diagnosis of this disease. Further studies are required to elucidate further the mechanisms that underlie the changes in the volatilomic profile as a result of gastric cancer.

挥发物组学是一种强大的工具,能够为胃癌诊断提供新型生物标记物。本研究的主要目的是描述胃液的挥发性特征,以确定胃癌诱发的潜在变化。研究人员采用气相色谱-质谱检测(GC-MS)技术,结合顶空固相微萃取(HS-SPME)作为预浓缩技术,鉴定了从四个不同地点(拉脱维亚、乌克兰、巴西和哥伦比亚)收集的 78 名胃癌患者和两组对照组(分别为 80 名和 96 名受试者)的胃液样本中释放的挥发性有机化合物(VOC)。从患者提供的样本中鉴定出了 1440 种不同的化合物,从对照组提供的样本中鉴定出了 1422 种不同的化合物。然而,只有 6% 的挥发性有机化合物的发生率高于 20%。在散发的挥发性物质中,有 18 种物质在癌症患者和对照组的胃液中的顶空浓度存在差异。其中 10 种(1-丙醇、2,3-丁二酮、2-戊酮、苯乙醛、3-甲基丁醛、丁基羟基甲苯、2-戊基呋喃、2-乙基己醛、2-甲基丙醛和苯酚)在患者胃液样本顶空气中的含量明显较高;而 8 种在患者体内的含量低于对照组。鉴于挥发性特征的差异可以用某些酶或途径的活性发生与癌症相关的变化来解释,前一组可被视为胃癌的潜在生物标记物,这可能有助于开发用于诊断这种疾病的非侵入性呼气测试。要进一步阐明胃癌导致挥发物变化的机制,还需要进一步研究。 ClinicalTrials.gov ID NCT04022109 .
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引用次数: 0
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Journal of breath research
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