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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 Medicine 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 Medicine 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
Unravelling the origin of isoprene in the human body - a forty year odyssey. 揭开异戊二烯在人体内的起源--四十年的奥德赛。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-04-25 DOI: 10.1088/1752-7163/ad4388
P. Mochalski, J. King, K. Unterkofler, Christopher A. Mayhew
In the breath research community's search for volatile organic compounds that can act as non-invasive biomarkers for various diseases, hundreds of endogenous volatiles have been discovered. Whilst these systemic chemicals result from normal and abnormal metabolic activities or pathological disorders, to date very few are of any use for the development of clinical breath tests that could be used for disease diagnosis or to monitor therapeutic treatments. The reasons for this lack of application are manifold and complex, and these complications either limit or ultimately inhibit the analytical application of endogenous volatiles for use in the medical sciences. One such complication is a lack of knowledge on the biological origins of the endogenous volatiles. A major exception to this is isoprene. Since 1984, i.e., for forty years, it has been generally accepted that the pathway to the production of human isoprene, and hence the origin of isoprene in exhaled breath, is through cholesterol biosynthesis via the mevalonate (MVA) pathway within the liver. However, various studies between 2001 and 2012 provide compelling evidence that human isoprene is produced in skeletal muscle tissue. A recent multi-omic investigation of genes and metabolites has revealed that this proposal is correct by showing that human isoprene predominantly results from muscular lipolytic cholesterol metabolism. Despite the overwhelming proof for a muscular pathway to isoprene production in the human body, breath research papers still reference the hepatic MVA pathway. The major aim of this perspective is review the evidence that leads to a correct interpretation for the origins of human isoprene, so that the major pathway to human isoprene production is understood and appropriately disseminated. This is important, because an accurate attribution to the endogenous origins of isoprene is needed if exhaled isoprene levels are to be correctly interpreted and for assessing isoprene as a clinical biomarker.
呼吸研究界在寻找可作为各种疾病非侵入性生物标志物的挥发性有机化合物的过程中,发现了数百种内源性挥发物。虽然这些系统化学物质产生于正常或异常的新陈代谢活动或病理紊乱,但迄今为止,只有极少数可用于开发可用于疾病诊断或监测治疗的临床呼气测试。缺乏应用的原因是多方面的,也是复杂的,这些复杂因素限制或最终抑制了内源性挥发物在医学科学中的分析应用。其中一个复杂因素就是对内源性挥发物的生物来源缺乏了解。异戊二烯是一个主要的例外。自 1984 年以来,即四十年来,人们普遍认为人类产生异戊二烯的途径,也就是呼出气体中异戊二烯的来源,是通过肝脏中的甲羟戊酸(MVA)途径进行胆固醇生物合成。然而,2001 年至 2012 年间的多项研究提供了令人信服的证据,证明人体异戊二烯是在骨骼肌组织中产生的。最近对基因和代谢物进行的多组学调查显示,人体异戊二烯主要是通过肌肉脂肪分解胆固醇代谢产生的,从而证明了这一观点的正确性。尽管有大量证据证明异戊二烯在人体内是通过肌肉途径产生的,但仍有研究论文提到肝脏 MVA 途径。本视角的主要目的是回顾能正确解释人体异戊二烯来源的证据,从而了解人体异戊二烯产生的主要途径,并进行适当的传播。这一点非常重要,因为如果要正确解释呼出的异戊二烯水平,并将异戊二烯作为临床生物标志物进行评估,就必须准确归因于异戊二烯的内源性来源。
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引用次数: 0
Wearing face masks while climbing stairs influences respiratory physiology. 爬楼梯时佩戴口罩会影响呼吸生理。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-04-17 DOI: 10.1088/1752-7163/ad3fde
Ophir Bar-On, Ori Goldberg, P. Stafler, H. Levine, Eyal Jacobi, Einat Shmueli, Benjamin Rothschild, D. Prais, M. Mei-Zahav
BACKGROUNDDuring the COVID-19 pandemic wearing face masks was mandatory. Nowadays, face masks are still encouraged indoors, especially in hospitals. People climbing stairs with masks describe unpredictable dyspnea. Methods: Healthy adults climbed 5 floors with and without a mask. Various cardio-respiratory parameters were measured, including O2-Saturation (O2-Sat) and End-tidal CO2 (EtCO2), at baseline and on the top floor. Subjective indexes, such as Borg's scale, were evaluated. Results: Thirty-two volunteers (16 males), median age 39 years (IQR 32.5-43), median BMI=23.6 (IQR 21.5-25.1), with good fitness levels, participated. Comparing baseline to end-activity, median (IQR): O2-Sat change was -1.0% (-2-0) without mask, versus -3.0% (-4-0) with mask, p=0.003; EtCO2 +7.0 (+3.3-+9) without mask, versus +8.0 (+6 -+12) with mask, p=0.0001. Hypercarbia was seen in 5 (15.6%) participants without mask, median=48mmHg (IQR 47.5-51), and in 11 (34%) participants with mask, median=50mmHg (IQR 47-54), p<0.001. Desaturation (O2-Sat<95%) was seen in 5 (15.6%) participants without mask, median=94% (IQR 93-94%), and in 10 (31%) participants with mask, median=91.5% (IQR 90-93%), p=0.06. Regression analysis demonstrated that only male sex was significantly associated with abnormal EtCO2 (OR=26.4, 95%CI=1.9-366.4, p=0.005). Ascent duration increased from median (IQR) of 94 seconds (86-100) without mask to 98 seconds (89-107) with mask, p<0.001. Borg's scale of perceived exertion (range 0-10) increased from median (IQR) of 3.0 (2.5-3.87) without mask to 4.0 (3.0-4.37) with mask, p<0.001. Conclusions: During routine daily activities, such as stair-climbing, face masks cause dyspnea, and have measurable influences on ventilation, including true desaturation and hypercapnia, especially in males.  .
背景在 COVID-19 大流行期间,佩戴口罩是强制性的。现在,在室内,尤其是在医院,仍然鼓励佩戴口罩。戴口罩爬楼梯的人描述了难以预测的呼吸困难。方法:健康成年人在佩戴和不佩戴口罩的情况下爬 5 层楼。在基线和顶层测量了各种心肺参数,包括氧饱和度(O2-Sat)和潮气末二氧化碳(EtCO2)。还评估了主观指标,如博格量表。结果32 名志愿者(16 名男性)参加了此次活动,他们的中位年龄为 39 岁(IQR 为 32.5-43),中位体重指数为 23.6(IQR 为 21.5-25.1),体能状况良好。比较基线与活动结束时的中位数(IQR):不戴面罩时,O2-Sat 变化为 -1.0% (-2-0),戴面罩时为 -3.0% (-4-0),P=0.003;不戴面罩时,EtCO2 为 +7.0 (+3.3-+9),戴面罩时为 +8.0 (+6 -+12),P=0.0001。5名(15.6%)未佩戴喉罩的患者出现了碳氧饱和度过高,中位数=48mmHg(IQR 47.5-51),11名(34%)佩戴喉罩的患者出现了碳氧饱和度过高,中位数=50mmHg(IQR 47-54),P<0.001。5 名(15.6%)未佩戴喉罩的参与者出现了饱和度降低(O2-Sat<95%),中位数=94%(IQR 93-94%);10 名(31%)佩戴喉罩的参与者出现了饱和度降低(O2-Sat<95%),中位数=91.5%(IQR 90-93%),P=0.06。回归分析表明,只有男性与 EtCO2 异常显著相关(OR=26.4,95%CI=1.9-366.4,P=0.005)。上升持续时间从不带面罩时的中位数(IQR)94 秒(86-100)增加到带面罩时的 98 秒(89-107),p<0.001。博格体力消耗量表(范围 0-10)从不带面罩时的中位数(IQR)3.0(2.5-3.87)增加到带面罩时的 4.0(3.0-4.37),p<0.001。结论:在爬楼梯等日常活动中,面罩会导致呼吸困难,并对通气产生可测量的影响,包括真正的饱和度降低和高碳酸血症,尤其是男性。.
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引用次数: 0
Establishing Breath as a Biomarker Platform - Take Home Messages from the Breath Biopsy Conference 2023. 将呼吸作为生物标记物平台--2023 年呼吸活检大会的启示。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-04-17 DOI: 10.1088/1752-7163/ad3fdf
Hsuan Chou, Lucy Godbeer, Madeleine Ball
The annual Breath Biopsy Conference hosted by Owlstone Medical gathers together the leading experts, early career researchers, and physicians working with breath as a biomarker platform for clinical purposes. The current topics in breath research are discussed and presented, and an overarching topical theme is identified and discussed as part of an expert panel to close the conference. The profiling of normal breath composition and the establishment of standards for analyzing breath compared to background signal were two important topics that were major focuses of this conference, as well as important innovative progress that has been made since last year, including the development of a non-invasive breath test for lung cancer and liver disease. This meeting report offers an overview of the key take-home messages from the various presentations, posters, and discussions from the conference.
由猫头鹰石医学公司主办的年度呼吸活检会议汇聚了一流的专家、早期职业研究人员和将呼吸作为临床生物标志物平台的医生。会议讨论并介绍了当前呼吸研究的主题,并确定了一个重要的主题,作为专家小组讨论的一部分,在会议结束时进行讨论。正常呼气成分分析和建立呼气与背景信号比较分析标准是本次会议的两个重要议题,也是自去年以来取得的重要创新进展,包括开发肺癌和肝病的无创呼气测试。本会议报告概述了从会议的各种演讲、海报和讨论中获得的关键信息。
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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 Medicine 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 Medicine 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 Medicine 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
Machine learning enabled detection of COVID-19 pneumonia using exhaled breath analysis: a proof-of-concept study. 利用呼气分析的机器学习功能检测 COVID-19 肺炎:概念验证研究。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-03-13 DOI: 10.1088/1752-7163/ad2b6e
Ruth P Cusack, Robyn Larracy, Christian B Morrell, Maral Ranjbar, Jennifer Le Roux, Christiane E Whetstone, Maxime Boudreau, Patrick F Poitras, Thiviya Srinathan, Eric Cheng, Karen Howie, Catie Obminski, Tim O'Shea, Rebecca J Kruisselbrink, Terence Ho, Erik Scheme, Stephen Graham, Gisia Beydaghyan, Gail M Gavreau, MyLinh Duong

Detection of the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) relies on real-time-reverse-transcriptase polymerase chain reaction (RT-PCR) on nasopharyngeal swabs. The false-negative rate of RT-PCR can be high when viral burden and infection is localized distally in the lower airways and lung parenchyma. An alternate safe, simple and accessible method for sampling the lower airways is needed to aid in the early and rapid diagnosis of COVID-19 pneumonia. In a prospective unblinded observational study, patients admitted with a positive RT-PCR and symptoms of SARS-CoV-2 infection were enrolled from three hospitals in Ontario, Canada. Healthy individuals or hospitalized patients with negative RT-PCR and without respiratory symptoms were enrolled into the control group. Breath samples were collected and analyzed by laser absorption spectroscopy (LAS) for volatile organic compounds (VOCs) and classified by machine learning (ML) approaches to identify unique LAS-spectra patterns (breathprints) for SARS-CoV-2. Of the 135 patients enrolled, 115 patients provided analyzable breath samples. Using LAS-breathprints to train ML classifier models resulted in an accuracy of 72.2%-81.7% in differentiating between SARS-CoV2 positive and negative groups. The performance was consistent across subgroups of different age, sex, body mass index, SARS-CoV-2 variants, time of disease onset and oxygen requirement. The overall performance was higher than compared to VOC-trained classifier model, which had an accuracy of 63%-74.7%. This study demonstrates that a ML-based breathprint model using LAS analysis of exhaled breath may be a valuable non-invasive method for studying the lower airways and detecting SARS-CoV-2 and other respiratory pathogens. The technology and the ML approach can be easily deployed in any setting with minimal training. This will greatly improve access and scalability to meet surge capacity; allow early and rapid detection to inform therapy; and offers great versatility in developing new classifier models quickly for future outbreaks.

背景 严重急性呼吸系统综合症冠状病毒-2(SARS-CoV-2)的检测依赖于鼻咽拭子上的实时逆转录酶聚合酶链反应(RT-PCR)。当病毒负荷和感染位于下呼吸道和肺实质的远端时,RT-PCR 的假阴性率会很高。我们需要一种安全、简单、方便的下呼吸道取样方法,以帮助早期快速诊断 COVID-19 肺炎。健康人或 RT-PCR 阴性且无呼吸道症状的住院患者被纳入对照组。收集的呼吸样本通过激光吸收光谱 (LAS) 分析挥发性有机化合物 (VOC),并通过机器学习 (ML) 方法进行分类,以识别 SARS-CoV-2 的独特 LAS 光谱模式(呼吸样本)。使用 LAS 呼吸指纹训练 ML 分类器模型,在区分 SARS-CoV2 阳性组和阴性组方面的准确率为 72-2-81-7%。在不同年龄、性别、体重指数、SARS-CoV-2 变体、发病时间和需氧量的亚组中,准确率保持一致。总体性能高于 VOC 训练的分类器模型,后者的准确率为 63-74-7%。该技术和 ML 方法只需少量培训即可在任何环境中轻松部署。这将极大地提高可及性和可扩展性,以满足激增的容量;允许早期和快速检测,为治疗提供信息;并为快速开发新的分类器模型以应对未来的爆发提供了极大的通用性。
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引用次数: 0
Metabolic insights at the finish line: deciphering physiological changes in ultramarathon runners through breath VOC analysis. 终点线上的代谢洞察:通过呼吸挥发性有机化合物分析解读超级马拉松运动员的生理变化。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-02-12 DOI: 10.1088/1752-7163/ad23f5
Hsuan Chou, Kayleigh Arthur, Elen Shaw, Chad Schaber, Billy Boyle, Max Allsworth, Eli F Kelley, Glenn M Stewart, Courtney M Wheatley, Jesse Schwartz, Caitlin C Fermoyle, Briana L Ziegler, Kay A Johnson, Paul Robach, Patrick Basset, Bruce D Johnson

Exhaustive exercise can induce unique physiological responses in the lungs and other parts of the human body. The volatile organic compounds (VOCs) in exhaled breath are ideal for studying the effects of exhaustive exercise on the lungs due to the proximity of the breath matrix to the respiratory tract. As breath VOCs can originate from the bloodstream, changes in abundance should also indicate broader physiological effects of exhaustive exercise on the body. Currently, there is limited published data on the effects of exhaustive exercise on breath VOCs. Breath has great potential for biomarker analysis as it can be collected non-invasively, and capture real-time metabolic changes to better understand the effects of exhaustive exercise. In this study, we collected breath samples from a small group of elite runners participating in the 2019 Ultra-Trail du Mont Blanc ultra-marathon. The final analysis included matched paired samples collected before and after the race from 24 subjects. All 48 samples were analyzed using the Breath Biopsy Platform with GC-Orbitrap™ via thermal desorption gas chromatography-mass spectrometry. The Wilcoxon signed-rank test was used to determine whether VOC abundances differed between pre- and post-race breath samples (adjustedP-value < .05). We identified a total of 793 VOCs in the breath samples of elite runners. Of these, 63 showed significant differences between pre- and post-race samples after correction for multiple testing (12 decreased, 51 increased). The specific VOCs identified suggest the involvement of fatty acid oxidation, inflammation, and possible altered gut microbiome activity in response to exhaustive exercise. This study demonstrates significant changes in VOC abundance resulting from exhaustive exercise. Further investigation of VOC changes along with other physiological measurements can help improve our understanding of the effect of exhaustive exercise on the body and subsequent differences in VOCs in exhaled breath.

剧烈运动可在肺部和人体其他部位引起独特的生理反应。呼出气体中的挥发性有机化合物(VOCs)非常适合研究剧烈运动对肺部的影响,因为呼出气体的基质非常接近呼吸道。由于呼出气体中的挥发性有机化合物可能来自血液,因此其含量的变化也应能显示疲惫运动对人体产生的更广泛的生理影响。目前,有关剧烈运动对呼吸挥发性有机化合物影响的公开数据还很有限。呼吸具有很大的生物标记分析潜力,因为它可以非侵入性地收集,并捕捉实时的代谢变化,从而更好地了解疲惫运动的影响。在这项研究中,我们收集了一小部分参加 2019 年勃朗峰超级马拉松赛(UTMB)的精英选手的呼吸样本。最终分析包括 24 名受试者在赛前和赛后采集的配对样本。所有 48 份样本均使用带有 GC-Orbitrap™ 的呼吸活检平台,通过热脱附气相色谱-质谱法(TD-GC-MS)进行分析。Wilcoxon 符号秩检验用于确定赛前和赛后呼气样本中挥发性有机化合物丰度是否存在差异(调整后 p < 0.05)。我们在精英选手的呼气样本中总共鉴定出 793 种挥发性有机化合物。其中,63 种挥发性有机化合物在校正多重测试后显示出赛前和赛后样本之间的显著差异(12 种减少,51 种增加)。所发现的特定挥发性有机化合物表明,在剧烈运动时,脂肪酸氧化、炎症和肠道微生物组活动可能会发生改变。这项研究表明,剧烈运动会导致挥发性有机化合物丰度发生重大变化。进一步研究挥发性有机化合物的变化以及其他生理测量指标,有助于我们更好地了解剧烈运动对身体的影响以及呼出气体中挥发性有机化合物的差异。
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Journal of breath research
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