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The optimization and comparison of two high-throughput faecal headspace sampling platforms: the microchamber/thermal extractor and hi-capacity sorptive extraction probes (HiSorb). 两种高通量粪便顶空采样平台的优化与比较:微室/热萃取器和高容量吸附萃取探针(HiSorb)。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-02-05 DOI: 10.1088/1752-7163/ad2002
Robert van Vorstenbosch, Alex Mommers, Daniëlle Pachen, Frederik-Jan van Schooten, Agnieszka Smolinska

Disease detection and monitoring using volatile organic compounds (VOCs) is becoming increasingly popular. For a variety of (gastrointestinal) diseases the microbiome should be considered. As its output is to large extent volatile, faecal volatilomics carries great potential. One technical limitation is that current faecal headspace analysis requires specialized instrumentation which is costly and typically does not work in harmony with thermal desorption units often utilized in e.g. exhaled breath studies. This lack of harmonization hinders uptake of such analyses by the Volatilomics community. Therefore, this study optimized and compared two recently harmonized faecal headspace sampling platforms:High-capacity Sorptive extraction (HiSorb) probesand theMicrochamber thermal extractor (Microchamber). Statistical design of experiment was applied to find optimal sampling conditions by maximizing reproducibility, the number of VOCs detected, and between subject variation. To foster general applicability those factors were defined using semi-targeted as well as untargeted metabolic profiles. HiSorb probes were found to result in a faster sampling procedure, higher number of detected VOCs, and higher stability. The headspace collection using the Microchamber resulted in a lower number of detected VOCs, longer sampling times and decreased stability despite a smaller number of interfering VOCs and no background signals. Based on the observed profiles, recommendations are provided on pre-processing and study design when using either one of both platforms. Both can be used to perform faecal headspace collection, but altogether HiSorb is recommended.

使用挥发性有机化合物(VOCs)进行疾病检测和监测正变得越来越流行。对于各种(胃肠道)疾病,都应考虑微生物组。由于粪便在很大程度上具有挥发性,因此粪便挥发物组学具有很大的潜力。一个技术限制是,目前的粪便顶空分析需要专门的仪器,这种仪器成本高昂,而且通常无法与呼气研究等常用的热脱附装置协调工作。这种不协调阻碍了挥发性有机物组学界对此类分析的接受。因此,本研究对最近统一的两种粪便顶空采样平台进行了优化和比较:高容量吸附萃取(HiSorb)探头和微室热萃取器(Microchamber)。实验统计设计(DOE)通过最大限度地提高重现性、检测到的挥发性有机化合物数量以及受试者之间的差异来找到最佳采样条件。为了提高这些因素的普遍适用性,使用了半靶标和非靶标代谢曲线来定义这些因素。结果发现,HiSorb 探针的采样过程更快,检测到的挥发性有机化合物数量更多,稳定性更高。使用 Microchamber 进行顶空采集,尽管干扰挥发性有机化合物数量较少且无背景信号,但检测到的挥发性有机化合物数量较少,采样时间较长,稳定性较差。根据观察到的情况,我们对使用这两种平台中的任何一种时的预处理和研究设计提出了建议。两种平台都可用于粪便顶空采集,但建议使用 HiSorb 平台。
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引用次数: 0
Characteristics of extra-oral halitosis induced by functional constipation: a prospective cohort study. 功能性便秘诱发口外口臭的特征:一项前瞻性队列研究。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-02-01 DOI: 10.1088/1752-7163/ad2213
Xiao Xian Qian

Characteristics of extra-oral halitosis induced by functional constipation (FC) have never been revealed. To address this, this prospective cohort was conducted with 100 FC patients, who were divided into a halitosis group and a negative group. Organoleptic score (OLS) ⩾ 2 in nose breath was diagnosed as extra-oral halitosis. Concentration of overall volatile sulfur compounds (VSCs) measured by Halimeter, concentration of hydrogen sulfide (HS), methanethiol (MT), dimethyl sulfide (DMS) and their total amount measured by OralChroma in nose breath was recorded asC-VSC,C-HS,C-MT,C-DMS andC-sum respectively. We found that 82% (82/100) of the FC patients had extra-oral halitosis. However, only 12.5% (3/82) and 1.22% (1/82) of halitosis group were correctly diagnosed with the current diagnostic threshold ofC-VSC ⩾ 110 parts per billion (ppb) and ⩾150 ppb.C-VSC,C-DMS andC-sum were significantly higher in the halitosis group compared to the negative group (allP< 0.001), with ratios of about 2.2 times, 3.1 times and 2.1 times respectively.C-HS andC-MT were low and not significantly different between the groups. Positive correlations were observed among OLS,C-VSC,C-DMS andC-sum. The area under curve of receiver operating characteristics ofC-VSC, C-DMS andC-sum for predicting FC-induced halitosis was 0.909, 0.9073 and 0.962 respectively, with the threshold values of ⩾36 ppb, ⩾52 ppb and ⩾75 ppb respectively. Therefore, we conclude that: (1) DMS is the primary contributor to FC-induced extra-oral halitosis. (2) OLS, Halimeter and OralChroma are consistent in detecting FC-induced extra-oral halitosis. (3) The diagnostic threshold for Halimeter should be adjusted toC-VSC ⩾ 36 ppb and the diagnostic threshold for OralChroma should be set asC-DMS ⩾ 52 ppb for diagnosing FC-induced extra-oral halitosis.

由功能性便秘(FC)引起的口外口臭的特征从未被揭示过。为了解决这个问题,我们对 100 名功能性便秘患者进行了前瞻性队列研究,并将他们分为口臭组和阴性组。鼻呼气的感官评分(OLS)≥ 2 分被诊断为口外口臭。用 Halimeter 测量鼻口气中总挥发性硫化合物(VSCs)的浓度,用 OralChroma 测量鼻口气中硫化氢(HS)、甲硫醇(MT)、二甲基硫醚(DMS)的浓度及其总量,分别记为 C-VSC、C-HS、C-MT、C-DMS 和 C-sum。我们发现,82%(82/100)的 FC 患者有口外口臭。然而,在口臭组中,只有 12.5%(3/82)和 1.22%(1/82)的患者能按照目前的诊断阈值(C-VSC ≥ 110 ppb 和 ≥ 150 ppb)得到正确诊断。与阴性组相比,口臭组的 C-VSC、C-DMS 和 C-sum 明显较高(均 P <0.001),比率分别约为 2.2 倍、3.1 倍和 2.1 倍。C-HS和C-MT较低,组间差异不明显。OLS、C-VSC、C-DMS 和 C-sum 之间呈正相关。C-VSC、C-DMS 和 C-sum 预测 FC 引起的口臭的接收器操作特征曲线下面积(ROC)分别为 0.909、0.9073 和 0.962,阈值分别为≥ 36 ppb、≥ 52 ppb 和≥ 75 ppb。因此,我们得出以下结论(1) DMS 是 FC 引起口外口臭的主要因素。(2)OLS、Halimeter 和 OralChroma 在检测 FC 引起的口外口臭方面具有一致性。(3)在诊断 FC 引起的口外口臭时,Halimeter 的诊断阈值应调整为 C-VSC ≥ 36 ppb,OralChroma 的诊断阈值应设定为 C-DMS ≥ 52 ppb。
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引用次数: 0
Enterogenous extra-oral halitosis has a more severe impact on quality of life in females compared to males. 与男性相比,肠源性口外口臭对女性生活质量的影响更为严重。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-25 DOI: 10.1088/1752-7163/ad2003
Xiao Xian Qian

Some studies have examined the impact of intra-oral halitosis on quality of life (QOL), but the impact of enterogenous extra-oral halitosis (EOH) on QOL has not been previously studied. We conducted a retrospective analysis of data from 88 patients with enterogenous EOH who visited our online halitosis clinic. A specialized halitosis associated life-quality test (HALT) questionnaire was used to assess QOL of these patients. Spearman correlation analysis was performed to investigate the relationship between HALT score and age. We found that 21 (23.86%) patients were male and 67 (76.14%) patients were female. HALT scores in females were significantly higher than in males (57.6 ± 13.6vs.45.5 ± 11.9,P< 0.001). Additionally, 13 of the 20 items of the HALT questionnaire showed significant differences between the sexes. No correlation was identified between HALT score and age. Therefore, we conclude that: (1) enterogenous EOH has a more severe impact on QOL in females compared to males. (2) More females with EOH visit the offline halitosis clinic compared to males. (3) The QOL of patients with enterogenous EOH does not decline with age.

一些研究探讨了口内口臭对生活质量(QOL)的影响,但此前尚未研究过肠源性口外口臭(EOH)对生活质量的影响。我们对 88 名就诊于在线口臭门诊的肠源性口臭患者的数据进行了回顾性分析。我们使用专门的口臭相关生活质量测试(HALT)问卷来评估这些患者的 QOL。为了研究 HALT 分数与年龄之间的关系,我们进行了斯皮尔曼相关分析。我们发现,21 名(23.86%)患者为男性,67 名(76.14%)患者为女性。女性的 HALT 分数明显高于男性(57.6 ± 13.6 vs. 45.5 ± 11.9,P < 0.001)。此外,在 HALT 问卷的 20 个项目中,有 13 个项目在性别上有显著差异。HALT 分数与年龄之间没有相关性。因此,我们得出以下结论(1) 与男性相比,女性肠源性 EOH 对 QOL 的影响更为严重。(2)与男性相比,更多患有肠源性 EOH 的女性前往线下口臭诊所就诊。(3)肠源性 EOH 患者的 QOL 不会随年龄增长而下降。
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引用次数: 0
Exhaled breath is found to be better than blood samples for determining propofol concentrations in the brain tissues of rats. 在测定大鼠脑组织中的异丙酚浓度时,发现呼气比血液样本更好。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-24 DOI: 10.1088/1752-7163/ad1d65
Xiaoxiao Li, Pan Chang, Xing Liu, Yi Kang, Zhongjun Zhao, Yixiang Duan, Jin Liu, Wensheng Zhang

The correlation between propofol concentration in exhaled breath (CE) and plasma (CP) has been well-established, but its applicability for estimating the concentration in brain tissues (CB) remains unknown. Given the impracticality of directly sampling human brain tissues, rats are commonly used as a pharmacokinetic model due to their similar drug-metabolizing processes to humans. In this study, we measuredCE,CP, andCBin mechanically ventilated rats injected with propofol. Exhaled breath samples from the rats were collected every 20 s and analyzed using our team's developed vacuum ultraviolet time-of-flight mass spectrometry. Additionally, femoral artery blood samples and brain tissue samples at different time points were collected and measured using high-performance liquid chromatography mass spectrometry. The results demonstrated that propofol concentration in exhaled breath exhibited stronger correlations with that in brain tissues compared to plasma levels, suggesting its potential suitability for reflecting anesthetic action sites' concentrations and anesthesia titration. Our study provides valuable animal data supporting future clinical applications.

丙泊酚在呼出气体(CE)和血浆(CP)中的浓度之间的相关性已得到证实,但其是否适用于估计脑组织(CB)中的浓度仍是未知数。由于直接采集人类脑组织样本并不现实,大鼠的药物代谢过程与人类相似,因此通常被用作药代动力学模型。在本研究中,我们测量了注射异丙酚的机械通气大鼠的 CE、CP 和 CB。每隔 20 秒收集一次大鼠的呼气样本,并使用我们团队开发的真空紫外飞行时间质谱(VUV TOF-MS)进行分析。此外,还收集了不同时间点的股动脉血样本和脑组织样本,并使用高效液相色谱质谱法进行了测定。结果表明,与血浆水平相比,呼出气体中的异丙酚浓度与脑组织中的异丙酚浓度具有更强的相关性,这表明异丙酚可能适用于反映麻醉作用部位的浓度和麻醉滴定。我们的研究为未来的临床应用提供了宝贵的动物数据支持。
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引用次数: 0
Real-time breath analysis towards a healthy human breath profile. 实时呼吸分析,建立健康的人体呼吸曲线。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-23 DOI: 10.1088/1752-7163/ad1cf1
Zachary Joseph Sasiene, Erick Scott LeBrun, Eric Schaller, Phillip Michael Mach, Robert Taylor, Lionel Candelaria, Trevor Griffiths Glaros, Justin Baca, Ethan Matthew McBride

The direct analysis of molecules contained within human breath has had significant implications for clinical and diagnostic applications in recent decades. However, attempts to compare one study to another or to reproduce previous work are hampered by: variability between sampling methodologies, human phenotypic variability, complex interactions between compounds within breath, and confounding signals from comorbidities. Towards this end, we have endeavored to create an averaged healthy human 'profile' against which follow-on studies might be compared. Through the use of direct secondary electrospray ionization combined with a high-resolution mass spectrometry and in-house bioinformatics pipeline, we seek to curate an average healthy human profile for breath and use this model to distinguish differences inter- and intra-day for human volunteers. Breath samples were significantly different in PERMANOVA analysis and ANOSIM analysis based on Time of Day, Participant ID, Date of Sample, Sex of Participant, and Age of Participant (p< 0.001). Optimal binning analysis identify strong associations between specific features and variables. These include 227 breath features identified as unique identifiers for 28 of the 31 participants. Four signals were identified to be strongly associated with female participants and one with male participants. A total of 37 signals were identified to be strongly associated with the time-of-day samples were taken. Threshold indicator taxa analysis indicated a shift in significant breath features across the age gradient of participants with peak disruption of breath metabolites occurring at around age 32. Forty-eight features were identified after filtering from which a healthy human breath profile for all participants was created.

近几十年来,对人体呼气中所含分子的直接分析对临床和诊断应用产生了重大影响。然而,将一项研究与另一项研究进行比较或复制以前的工作受到以下因素的阻碍:采样方法之间的差异、人类表型的差异、呼气中化合物之间复杂的相互作用以及合并症带来的干扰信号。为此,我们努力创建一个平均的健康人 "档案",以便后续研究进行比较。通过使用直接二次电喷雾离子化技术(SESI),结合高分辨率质谱仪(HRMS)和内部生物信息学管道,我们试图为呼出的气体建立一个平均的健康人档案,并利用这一模型来区分人类志愿者在不同日期之间和不同日期之内的差异。在 PERMANOVA 分析和 ANOSIM 分析中,根据每天的时间、参与者 ID、样本日期、参与者性别和参与者年龄,呼吸样本存在显著差异(p
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引用次数: 0
How well does your e-nose detect cancer? Application of artificial breath analysis for performance assessment. 您的电子鼻对癌症的检测效果如何?应用人工呼气分析进行性能评估。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-22 DOI: 10.1088/1752-7163/ad1d64
Justin D M Martin, Falzone Claudia, Anne-Claude Romain

Comparing electronic nose (e-nose) performance is a challenging task because of a lack of standardised method. This paper proposes a method for defining and quantifying an indicator of the effectiveness of multi-sensor systems in detecting cancers by artificial breath analysis. To build this method, an evaluation of the performances of an array of metal oxide sensors built for use as a lung cancer screening tool was conducted. Breath from 20 healthy volunteers has been sampled in fluorinated ethylene propylene sampling bags. These healthy samples were analysed with and without the addition of nine volatile organic compound (VOC) cancer biomarkers, chosen from literature. The concentration of the VOC added was done in increasing amounts. The more VOC were added, the better the discrimination between 'healthy' samples (breath without additives) and 'cancer' samples (breath with additives) was. By determining at which level of concentration the e-nose fails to reliably discriminate between the two groups, we estimate its ability to well predict the presence of the disease or not in a realistic situation. In this work, a home-made e-nose is put to the test. The results underline that the biomarkers need to be about 5.3 times higher in concentration than in real breath for the home-made nose to tell the difference between groups with a sufficient confidence.

由于缺乏标准化的方法,比较电子鼻的性能是一项具有挑战性的任务。本文提出了一种通过人工呼气分析来定义和量化多传感器系统检测癌症有效性指标的方法。为了建立这种方法,我们对用于肺癌筛查工具的金属氧化物传感器阵列的性能进行了评估。20 名健康志愿者的呼吸样本被装入 FEP 采样袋中。在分析这些健康样本时,分别添加和不添加从文献中选择的 9 种挥发性有机化合物癌症生物标志物。添加的挥发性有机化合物的浓度逐量增加。添加的挥发性有机化合物越多,"健康 "样本(未添加添加剂的呼气)和 "癌症 "样本(添加添加剂的呼气)之间的区分度就越高。通过确定电子鼻在哪种浓度水平上无法可靠地区分两组,我们可以估算出电子鼻在现实情况下预测疾病存在与否的能力。在这项工作中,我们对自制的电子鼻进行了测试。结果表明,生物标记物的浓度需要比真实呼吸浓度高出约 5.3 倍,自制电子鼻才能以足够的可信度区分不同组别。
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引用次数: 0
Effectiveness of breath acetone monitoring in reducing body fat and improving body composition: a randomized controlled study. 呼吸丙酮监测对减少体脂和改善身体成分的效果:随机对照研究
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-18 DOI: 10.1088/1752-7163/ad1b19
Seonggyu Choi, Minsuk Oh, Okimitsu Oyama, Dong-Hyuk Park, Sunghyun Hong, Tae Ho Lee, Junho Hwang, Hyun-Sook Lee, Yong-Sahm Choe, Wooyoung Lee, Justin Y Jeon

When attempts to lose body fat mass frequently fail, breath acetone (BA) monitoring may assist fat mass loss during a low-carbohydrate diet as it can provide real-time body fat oxidation levels. This randomized controlled study aimed to evaluate the effectiveness of monitoring BA levels and providing feedback on fat oxidation during a three-week low-carbohydrate diet intervention. Forty-seven participants (mean age = 27.8 ± 4.4 years, 53.3% females, body mass index = 24.1 ± 3.4 kg m-2) were randomly assigned to three groups (1:1:1 ratio): daily BA assessment with a low-carbohydrate diet, body weight assessment (body scale (BS)) with a low-carbohydrate diet, and low-carbohydrate diet only. Primary outcome was the change in fat mass and secondary outcomes were the changes in body weight and body composition. Forty-five participants completed the study (compliance rate: 95.7%). Fat mass was significantly reduced in all three groups (allP< 0.05); however, the greatest reduction in fat mass was observed in the BA group compared to the BS (differences in changes in fat mass, -1.1 kg; 95% confidence interval: -2.3, -0.2;P= 0.040) and control (differences in changes in fat mass, -1.3 kg; 95% confidence interval: -2.1, -0.4;P= 0.013) groups. The BA group showed significantly greater reductions in body weight and visceral fat mass than the BS and control groups (allP< 0.05). In addition, the percent body fat and skeletal muscle mass were significantly reduced in both BA and BS groups (allP< 0.05). However, no significant differences were found in changes in body fat percentage and skeletal muscle mass between the study groups. Monitoring BA levels, which could have motivated participants to adhere more closely to the low-carbohydrate diet, to assess body fat oxidation rates may be an effective intervention for reducing body fat mass (compared to body weight assessment or control conditions). This approach could be beneficial for individuals seeking to manage body fat and prevent obesity.

当试图减少体内脂肪量的努力经常失败时,呼气丙酮监测可提供实时的体内脂肪氧化水平,因此可能有助于在低碳水化合物饮食期间减少脂肪量。这项随机对照研究旨在评估在为期三周的低碳水化合物饮食干预期间监测呼气丙酮水平和提供脂肪氧化反馈的有效性。47名参与者(平均年龄=27.8±4.4岁,女性占53.3%,体重指数=24.1±3.4 kg/m2)被随机分配到三组(1:1:1比例):每日呼气丙酮评估与低碳水化合物饮食组、体重评估(体重秤)与低碳水化合物饮食组和仅低碳水化合物饮食组。主要结果是脂肪量的变化,次要结果是体重和身体成分的变化。45 名参与者完成了研究(符合率:95.7%)。所有三个组的脂肪量都明显减少(P
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引用次数: 0
Non-invasive detection of renal disease biomarkers through breath analysis. 通过呼气分析无创检测肾病生物标志物。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2024-01-05 DOI: 10.1088/1752-7163/ad15fb
Manoj Khokhar

Breath biomarkers are substances found in exhaled breath that can be used for non-invasive diagnosis and monitoring of medical conditions, including kidney disease. Detection techniques include mass spectrometry (MS), gas chromatography (GC), and electrochemical sensors. Biosensors, such as GC-MS or electronic nose (e-nose) devices, can be used to detect volatile organic compounds (VOCs) in exhaled breath associated with metabolic changes in the body, including the kidneys. E-nose devices could provide an early indication of potential kidney problems through the detection of VOCs associated with kidney dysfunction. This review discusses the sources of breath biomarkers for monitoring renal disease during dialysis and different biosensor approaches for detecting exhaled breath biomarkers. The future of using various types of biosensor-based real-time breathing diagnosis for renal failure is also discussed.

呼吸生物标记物是在呼出的气体中发现的物质,可用于非侵入性诊断和监测包括肾脏疾病在内的病症。检测技术包括质谱法、气相色谱法和电化学传感器。生物传感器,如气相色谱-质谱法或电子鼻(e-nose)装置,可用于检测呼出气体中与人体(包括肾脏)新陈代谢变化有关的挥发性有机化合物(VOC)。电子鼻设备可以通过检测与肾功能障碍相关的挥发性有机化合物,及早发现潜在的肾脏问题。本综述讨论了透析期间监测肾脏疾病的呼气生物标记物的来源以及检测呼气生物标记物的不同生物传感器方法。此外,还讨论了使用各种基于生物传感器的实时呼吸诊断肾衰竭的前景。
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引用次数: 0
A novel coupling technique based on thermal desorption gas chromatography with mass spectrometry and ion mobility spectrometry for breath analysis. 一种基于热脱附气相色谱与质谱法和离子迁移谱法的新型耦合技术,用于呼气分析。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2023-12-27 DOI: 10.1088/1752-7163/ad1615
Hannah Schanzmann, Veronika Ruzsanyi, Parviz Ahmad-Nejad, Ursula Telgheder, Stefanie Sielemann

Exhaled breath analysis is evolving into an increasingly important non-invasive diagnostic tool. Volatile organic compounds (VOCs) in breath contain information about health status and are promising biomarkers for several diseases, including respiratory infections caused by bacteria. To monitor the composition of VOCs in breath or the emission of VOCs from bacteria, sensitive analytical techniques are required. Next to mass spectrometry, ion mobility spectrometry (IMS) is considered a promising analytical tool for detecting gaseous analytes in the parts per billion by volume to parts per trillion by volume range. This work presents a new, dual coupling of thermal desorption gas chromatography to a quadrupole mass spectrometer (MS) and an IMS by operating a simple splitter. Nearly identical retention times can be reached in the range of up to 30 min with slight deviations of 0.06 min-0.24 min. This enables the identification of unknown compounds in the IMS chromatogram using unambiguous mass spectral identification, as there are still no commercially available databases for IMS. It is also possible to discriminate one of the detectors using the splitter to improve detection limits. Using a test liquid mixture of seven ketones, namely 2-butanone, 2-pentanone, 2-hexanone, 2-heptanone, 2-octanone, 2-nonanone, and 2-decanone with a concentration of 0.01 g l-1reproducibilities ranging from 3.0% to 7.6% for MS and 2.2%-5.3%, for IMS were obtained, respectively. In order to test the system optimized here for the field of breath analysis, characteristic VOCs such as ethanol, isoprene, acetone, 2-propanol, and 1-propanol were successfully identified in exhaled air using the dual detector system due to the match of the corresponding IMS, and MS spectra. The presented results may be considered to be a starting point for the greater use of IMS in combination with MS within the medical field.

呼气分析正逐渐发展成为一种日益重要的无创诊断工具。呼气中的挥发性有机化合物(VOCs)包含有关健康状况的信息,是多种疾病(包括由细菌引起的呼吸道感染)的有希望的生物标记物。要监测呼气中挥发性有机化合物的成分或细菌释放的挥发性有机化合物,需要灵敏的分析技术。除质谱法外,离子迁移谱法也被认为是一种很有前途的分析工具,可用于检测十亿分之一至万亿分之一的气态分析物。这项工作通过操作一个简单的分离器,将热脱附气相色谱法与四极杆质谱仪和离子迁移谱仪进行了新型的双重耦合。在长达 30 分钟的范围内,保留时间几乎完全相同,只有 0.06 至 0.24 分钟的微小偏差。由于目前还没有商业化的 IMS 数据库,因此可以通过明确的质谱鉴定来识别 IMS 色谱图中的未知化合物。此外,还可以使用分流器对其中一个检测器进行分辨,以提高检测限。使用浓度为 0.01 g l-1 的七种酮类(即 2-丁酮、2-戊酮、2-己酮、2-庚酮、2-辛酮、2-壬酮和 2-癸酮)的测试液体混合物,质谱的重现性从 3.0 % 到 7.6 % 不等,而 IMS 的重现性则从 2.2 % 到 5.3 % 不等。为了测试在呼气分析领域所优化的系统,使用双检测器系统成功鉴定了呼出空气中的乙醇、异戊二烯、丙酮、2-丙醇和 1-丙醇等特征挥发性有机化合物,因为相应的 IMS 和 MS 图谱相匹配。这些结果可被视为在医疗领域更广泛使用 IMS 和 MS 的起点。
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引用次数: 0
Impact of thermal desorption tubes on the variability of exhaled breath data. 热解吸管对呼气数据变异性的影响。
IF 3.8 4区 医学 Q1 Medicine Pub Date : 2023-12-22 DOI: 10.1088/1752-7163/ad15a3
Anne E Jung, Christina N Davidson, Christopher J Land, Aubrianne I Dash, Barlow T Guess, Heidi S Edmonds, Rhonda L Pitsch, Sean W Harshman

Due to the overall low abundance of volatile compounds in exhaled breath, it is necessary to preconcentrate the sample prior to traditional thermal desorption (TD) gas chromatography mass spectrometry analysis. While certain aspects of TD tubes, such as volatile storage, have been evaluated, many aspects remain uncharacterized. Two common TD tubes, Tenax TA and Biomonitoring 5TD tubes, were evaluated for background content and flow rate variability. The data illustrate that the Biomonitoring 5TD tubes have the highest number (23) and abundance of background contamination greater than 3x the mean noise when compared to Tenax TA (13) and empty tubes (9). Tentative identifications of the compounds in the background contamination experiment show that greater than 59% (16/27) of the compounds identified have been reported in the breath literature. The data illustrate the TD tube background abundance could account for more than 70% of the chromatographic signal from exhaled breath for these select compounds. Flow rate measurements of 200 Tenax TA and 200 Biomonitoring 5TD tubes show a large range in measured flow rates among the TD tubes (Tenax: 252.9-284.0 ml min-1, 5TD: 220.6-255.1 ml min-1). Finally, TD tubes of each type, Tenax TA and Biomonitoring 5TD, previously established to have high, medium, and low flow rates, show insignificant differences (p> 0.05) among the tubes of different flow rates, using both gas standards and an exhaled breath from a peppermint experiment. Collectively, these results establish overall background compounds attributed to each TD tube type tested. Additionally, while measured flow rate variability is present and plausibly impacts exhaled breath results, the data demonstrate no statistically significant difference was observed between tubes showing high, medium, and low flow rates from two separate sample types.

由于呼出气体中挥发性化合物的总体丰度较低,因此在进行传统的热脱附气相色谱质谱分析(TD-GC-MS)之前,有必要对样品进行预浓缩。虽然已经对热解吸附管的某些方面(如挥发物储存)进行了评估,但许多方面仍未定性。我们对 Tenax TA 和 Biomonitoring 5TD 这两种常见的热解吸附管进行了背景含量和流速变化的评估。数据表明,与 Tenax TA 管(13 个)和空管(9 个)相比,Biomonitoring 5TD 管的本底污染数量最多(23 个),丰度超过平均噪声的 3 倍。背景污染实验中化合物的初步鉴定结果表明,59%以上(16/27)的已鉴定化合物在呼吸文献中已有报道。这些数据表明,TD 管的背景丰度可能占呼气中这些特定化合物色谱信号的 70% 以上。对 200 支 Tenax TA 和 200 支 Biomonitoring 5TD 管进行的流速测量显示,TD 管的流速测量值范围很大(Tenax:252.9-284.0mL min-1,5TD:220.6-255.1mL min-1)。最后,Tenax TA 和 Biomonitoring 5TD 这两种类型的 TD 管以前分别被确定为具有高、中和低流速,在使用气体标准和薄荷实验呼出的气体时,不同流速的 TD 管之间的差异不显著(p>0.05)。总之,这些结果确定了每种测试的 TD 管类型的总体背景化合物。此外,虽然测得的流速存在变化,并可能对呼气结果产生影响,但数据表明,从两种不同的样品类型中观察到的高、中、低流速试管之间没有统计学意义上的显著差异。
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Journal of breath research
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