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Screening for volatile biomarkers of colorectal cancer by analyzing breath and fecal samples using thermal desorption combined with GC-MS (TD-GC-MS). 利用热解吸联合气相色谱-质谱联用技术(TD-GC-MS)分析呼吸和粪便样本,筛选结直肠癌挥发性生物标志物。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-07-13 DOI: 10.1088/1752-7163/ace46e
Monika Śmiełowska, Tomasz Ligor, Wojciech Kupczyk, Jacek Szeliga, Marek Jackowski, Boguslaw Buszewski

Breath and fecal VOCs, among others, represent a new and encouraging clinical practice for the differential diagnosis of CRC. The purpose of our research was to identify VOCs present in exhaled air and feces of 20 HVs and 15 CRC patients. For collection of gas phase released from feces, emission microchambers were applied. Sorption tubes were used to enrich analytes for both breath and fecal samples. TD technique combined with GC-MS was used at the separation and identification step. The combination of statistical methods was used to evaluate the ability of VOCs to classify control group and CRC patients. Heptanoic acid, acetone, 2,6,10-trimethyldodecane, n-hexane, skatole, and dimethyl trisulfide are observed in elevated amounts in the patients group. The performance of diagnostic models on the tested data set was above 90%. This study is the first attempt to document the using of TD-GC-MS to analyze both breath and fecal samples to search for volatile biomarkers of CRC. A full evaluation of the results described herein requires further studies involving a larger number of samples. Moreover, it is particularly important to understand the metabolic pathways of substances postulated as tumor biomarkers.

呼气和粪便挥发性有机化合物,其中,代表了一个新的和令人鼓舞的临床实践鉴别诊断的结直肠癌。我们的研究目的是鉴定20名hiv患者和15名CRC患者呼出的空气和粪便中存在的VOCs。为了收集粪便中释放的气相,采用了排放微室。使用吸附管富集呼吸和粪便样本的分析物。色谱-质谱联用TD技术进行分离鉴定。结合统计学方法评价VOCs对对照组和结直肠癌患者的分类能力。庚酸、丙酮、2,6,10-三甲基十二烷、正己烷、硫酸酯和二甲基三硫化物在患者组中含量升高。在测试数据集上,诊断模型的性能在90%以上。本研究首次尝试使用TD-GC-MS分析呼吸和粪便样本,以寻找结直肠癌的挥发性生物标志物。对本文所述结果的全面评估需要涉及更多样本的进一步研究。此外,了解被假定为肿瘤生物标志物的物质的代谢途径尤为重要。
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引用次数: 0
Identification of a characteristic VOCs pattern in the exhaled breath of post-COVID subjects: are metabolic alterations induced by the infection still detectable? covid后受试者呼出气体中挥发性有机化合物特征模式的识别:感染引起的代谢改变是否仍可检测到?
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-07-12 DOI: 10.1088/1752-7163/ace27c
Alessia DI Gilio, Jolanda Palmisani, Arcangelo Picciariello, Carlo Zambonin, Antonella Aresta, Nicoletta De Vietro, Silvana Angela Franchini, Gianrocco Ventrella, Marirosa Nisi, Sabina Licen, Pierluigi Barbieri, Donato Altomare, Gianluigi de Gennaro

SARS-CoV-2 is expected to cause metabolic alterations due to viral replication and the host immune response resulting in increase of cytokine secretion and cytolytic activity. The present prospective observational study is addressed at exploring the potentialities of breath analysis in discrimination between patients with a documented previous history of symptomatic SARS-CoV-2 infection and, at the moment of the enrollment, exhibiting a negative nasopharyngeal swab and acquired immunity (post-COVID) and healthy subjects with no evidence of previous SARS-CoV-2 infection (no-COVID). The main purpose is to understand if traces of metabolic alterations induced during the acute phase of the infection are still detectable after negativization, in the form of a characteristic volatile organic compound (VOC) pattern. An overall number of 60 volunteers aged between 25 and 70 years were enrolled in the study (post-COVID: n.30; no-COVID: n. 30), according to well-determined criteria. Breath and ambient air samples were collected by means of an automated sampling system (Mistral) and analyzed by thermal desorption-gas chromatography-mass spectrometry (TD-GC/MS). Statistical tests (Wilcoxon/Kruskal-Wallis test) and multivariate data analysis (principal component analysis (PCA), linear discriminant analysis) were performed on data sets. Among all compounds detected (76 VOCs in 90% of breath samples), 5 VOCs (1-propanol, isopropanol, 2-(2-butoxyethoxy)ethanol, propanal and 4-(1,1-dimethylpropyl)phenol) showed abundances in breath samples collected from post-COVID subjects significantly different with respect to those collected from no-COVID group (Wilcoxon/Kruskal-Wallis test,p-values <0.05). Although not completely satisfactory separation between the groups was obtained, variables showing significant differences between the two groups and higher loadings for PCA are recognized biomarkers of COVID-19, according to previous studies in literature. Therefore, based on the outcomes obtained, traces of metabolic alterations induced by SARS-CoV-2 infection are still detectable after negativization. This evidence raises questions about the eligibility of post-COVID subjects in observational studies addressed at the detection of COVID-19. (Ethical Committee Registration number: 120/AG/11).

SARS-CoV-2预计会由于病毒复制和宿主免疫反应而引起代谢改变,从而导致细胞因子分泌和细胞溶解活性增加。本前瞻性观察性研究旨在探索呼吸分析在区分有记录的既往有症状的SARS-CoV-2感染史的患者和在入组时表现为鼻咽拭子阴性并获得免疫的患者(covid后)与没有既往SARS-CoV-2感染证据的健康受试者(无covid)之间的潜力。主要目的是了解在感染急性期诱导的代谢改变的痕迹是否在阴性后仍可检测到,以特征挥发性有机化合物(VOC)模式的形式。总共有60名年龄在25至70岁之间的志愿者参加了这项研究(covid后:n.30;无covid: n. 30),根据明确的标准。呼吸和周围空气样本通过自动采样系统(Mistral)收集,并通过热解吸-气相色谱-质谱(TD-GC/MS)分析。对数据集进行统计检验(Wilcoxon/Kruskal-Wallis检验)和多变量数据分析(主成分分析(PCA)、线性判别分析)。在所有检测到的化合物中(90%的呼气样本中有76种VOCs), 5种VOCs(1-丙醇、异丙醇、2-(2-丁氧乙氧基)乙醇、丙醛和4-(1,1-二甲基丙基)苯酚)在新冠肺炎后受试者的呼气样本中的丰度与未感染新冠肺炎的受试者有显著差异(Wilcoxon/Kruskal-Wallis检验,p值)
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引用次数: 0
Sterilization and reuse of masks for a standardized exhaled breath collection device by autoclaving. 用高压灭菌法消毒和重复使用用于标准化呼气收集装置的口罩。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-06-30 DOI: 10.1088/1752-7163/ace127
Samuel T Shawn, Sean W Harshman, Christina N Davidson, Jae Hwan Lee, Anne E Jung, Ariel Parker, M Aaron Hawkins, Blake W Stamps, Rhonda L Pitsch, Jennifer A Martin

Exhaled breath research has been hindered by a lack of standardization in collection and analysis methodologies. Recently, the Respiration Collector forIn VitroAnalysis (ReCIVA) sampling device has illustrated the potential to provide a consistent and convenient method for exhaled breath collection onto adsorbent media. However, the significant costs, compared to exhaled breath bags, associated with the standardized collector is believed to be the reason for limited widespread use by researchers in the exhaled breath field. For example, in addition to the sampling hardware, a single-use disposable silicon mask affixed with a filter is required for each exhaled breath collection. To reduce the financial burden, streamline device upkeep, reduce waste material, and ease the logistical burden associated with the single use masks, it is hypothesized that the consumable masks and filters could be sterilized by autoclaving for reuse. The masks were contaminated, autoclaved, and then tested for any surviving pathogens with spore strip standards and by measuring the optical density of cultures. The compound background collected when using the ReCIVA with new masks was compared to that collected with repeatedly autoclaved masks via thermal desorption gas chromatography mass spectrometry (TD-GC-MS). The capacity to block particulate matter of new filters was tested against that of autoclaved filters by introducing an aerosol and comparing pre-filter and post-filter particle counts. Finally, breath samplings were conducted with new masks and autoclaved masks to test for changes in measurements by TD-GC-MS of exogenous and endogenous compounds. The data illustrate the autoclave cycle sterilizes masks spiked with saliva to background levels (p= 0.2527). The results indicate that background levels of siloxane compounds are increased as masks are repetitively autoclaved. The data show that mask filters have significant breakthrough of 1μm particles after five repetitive autoclaving cycles compared to new filters (p= 0.0219). Finally, exhaled breath results utilizing a peppermint ingestion protocol indicate two compounds associated with peppermint, menthone and 1-Methyl-4-(1-methylethyl)-cyclohexanol, and an endogenous exhaled breath compound, isoprene, show no significant difference if sampled with a new mask or a mask autoclaved five times (p> 0.1063). Collectively, the data indicate that ReCIVA masks and filters can be sterilized via autoclave and reused. The results suggest ReCIVA mask and filter reuse should be limited to three times to limit potentially problematic background contaminants and filter dysfunction.

由于缺乏标准化的收集和分析方法,呼出气体的研究一直受到阻碍。最近,用于体外分析的呼吸收集器(ReCIVA)采样装置显示了其潜力,可为在吸附介质上收集呼出气体提供一致而方便的方法。然而,与呼气袋相比,标准化收集器的成本较高,这被认为是呼气领域研究人员广泛使用有限的原因。例如,除了采样硬件外,每次呼出气体收集还需要一个一次性使用的硅胶面罩,上面贴有过滤器。为了减轻经济负担、简化设备维护、减少废料并减轻与一次性面罩相关的后勤负担,我们假设可对消耗性面罩和过滤器进行高压灭菌,以便重复使用。对口罩进行污染、高压灭菌,然后用孢子条标准和测量培养物的光密度来检测是否有病原体存活。通过热脱附气相色谱质谱法(TD-GC-MS),将使用 ReCIVA 和新口罩收集到的化合物背景与使用重复高压灭菌口罩收集到的化合物背景进行了比较。通过引入气溶胶并比较过滤前和过滤后的颗粒计数,测试了新过滤器和高压灭菌过滤器阻挡颗粒物的能力。最后,使用新口罩和高压灭菌口罩进行了呼吸采样,以测试 TD-GC-MS 测量外源和内源化合物的变化。数据表明,高压灭菌循环可将添加了唾液的口罩灭菌到本底水平(p= 0.2527)。结果表明,随着口罩重复高压灭菌,硅氧烷化合物的本底水平会升高。数据显示,与新过滤器相比,重复高压灭菌五次后,口罩过滤器的 1 微米微粒明显减少(p= 0.0219)。最后,采用薄荷摄入方案的呼出气体结果表明,与薄荷有关的两种化合物--薄荷酮和 1-甲基-4-(1-甲基乙基)-环己醇,以及一种内源性呼出气体化合物--异戊二烯,在使用新口罩或经过五次高压灭菌的口罩采样时没有明显差异(p> 0.1063)。总之,这些数据表明 ReCIVA 口罩和过滤器可以通过高压灭菌器消毒并重复使用。结果表明,ReCIVA 喉罩和过滤器的重复使用次数应限制在三次以内,以限制可能产生问题的本底污染物和过滤器功能障碍。
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引用次数: 0
Exhaled breath condensate profiles of U.S. Navy divers following prolonged hyperbaric oxygen (HBO) and nitrogen-oxygen (Nitrox) chamber exposures. 美国海军潜水员在长期暴露于高压氧(HBO)和氮氧(Nitrox)舱之后的呼出气体冷凝物概况。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-06-12 DOI: 10.1088/1752-7163/acd715
David M Fothergill, Eva Borras, Mitchell M McCartney, Edward S Schelegle, Cristina E Davis

Prolonged exposure to hyperbaric hyperoxia can lead to pulmonary oxygen toxicity (PO2tox). PO2tox is a mission limiting factor for special operations forces divers using closed-circuit rebreathing apparatus and a potential side effect for patients undergoing hyperbaric oxygen (HBO) treatment. In this study, we aim to determine if there is a specific breath profile of compounds in exhaled breath condensate (EBC) that is indicative of the early stages of pulmonary hyperoxic stress/PO2tox. Using a double-blind, randomized 'sham' controlled, cross-over design 14 U.S. Navy trained diver volunteers breathed two different gas mixtures at an ambient pressure of 2 ATA (33 fsw, 10 msw) for 6.5 h. One test gas consisted of 100% O2(HBO) and the other was a gas mixture containing 30.6% O2with the balance N2(Nitrox). The high O2stress dive (HBO) and low O2stress dive (Nitrox) were separated by at least seven days and were conducted dry and at rest inside a hyperbaric chamber. EBC samples were taken immediately before and after each dive and subsequently underwent a targeted and untargeted metabolomics analysis using liquid chromatography coupled to mass spectrometry (LC-MS). Following the HBO dive, 10 out of 14 subjects reported symptoms of the early stages of PO2tox and one subject terminated the dive early due to severe symptoms of PO2tox. No symptoms of PO2tox were reported following the nitrox dive. A partial least-squares discriminant analysis of the normalized (relative to pre-dive) untargeted data gave good classification abilities between the HBO and nitrox EBC with an AUC of 0.99 (±2%) and sensitivity and specificity of 0.93 (±10%) and 0.94 (±10%), respectively. The resulting classifications identified specific biomarkers that included human metabolites and lipids and their derivatives from different metabolic pathways that may explain metabolomic changes resulting from prolonged HBO exposure.

长期暴露于高压氧环境中会导致肺氧中毒(PO2tox)。PO2tox是特种作战部队潜水员使用闭路再呼吸设备执行任务时的一个限制因素,也是接受高压氧(HBO)治疗的患者的一个潜在副作用。在这项研究中,我们旨在确定呼出气体冷凝物(EBC)中的化合物是否存在特定的呼吸曲线,以指示肺高氧应激/PO2tox 的早期阶段。通过双盲、随机 "假 "对照、交叉设计,14 名受过训练的美国海军潜水员志愿者在 2 ATA(33 fsw,10 msw)的环境压力下呼吸了 6.5 小时两种不同的混合气体。一种测试气体是 100% 的氧气(HBO),另一种是含 30.6% 氧气的混合气体,其余为 N2(Nitrox)。高氧气压力潜水(HBO)和低氧气压力潜水(Nitrox)至少间隔七天,并在高压氧舱内干燥和静止状态下进行。每次潜水前后立即采集 EBC 样本,随后使用液相色谱耦合质谱法(LC-MS)进行有针对性和无针对性的代谢组学分析。在 HBO 潜水之后,14 名受试者中有 10 人报告出现了 PO2tox 早期症状,一名受试者因出现严重的 PO2tox 症状而提前结束了潜水。硝氧潜水后没有出现 PO2tox 症状。对归一化(相对于潜水前)非目标数据进行偏最小二乘法判别分析后,HBO 和氮氧 EBC 的分类能力良好,AUC 为 0.99(±2%),灵敏度和特异度分别为 0.93(±10%)和 0.94(±10%)。分类结果确定了特定的生物标志物,其中包括来自不同代谢途径的人体代谢物和脂质及其衍生物,这些生物标志物可以解释长期暴露于 HBO 导致的代谢组学变化。
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引用次数: 0
Profiling volatile organic compounds from human plasma using GC × GC-ToFMS. GC × GC- tofms分析人血浆中挥发性有机化合物。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-06-01 DOI: 10.1088/1752-7163/acd806
Ning Sun, Preethi Krishnan, Christiaan A Rees, Mingming Zhang, Keisean Stevenson, Jane E Hill

Volatile organic compounds (VOCs) originating from human metabolic activities can be detected in, for example, breath, urine, feces, and blood. Thus, attention has been given to identifying VOCs from the above matrices. Studies identifying and measuring human blood VOCs are limited to those focusing on monitoring specific pollutants, or blood storage and/or decomposition. However, a comprehensive characterization of VOCs in human blood collected for routine diagnostic testing is lacking. In this pilot study, 72 blood-derived plasma samples were obtained from apparently healthy adult participants. VOCs were extracted from plasma using solid-phase microextraction and analyzed using comprehensive two-dimensional gas chromatography tandem time-of-flight mass spectrometry. Chromatographic data were aligned, and putative compound identities were assigned via spectral library comparison. All statistical analysis, including contaminant removal, data normalization, and transformation were performed usingR. We identified 401 features which we called the pan volatilome of human plasma. Of the 401 features, 34 were present in all the samples with less than 15% variance (core molecules), 210 were present in ⩾10% but <100% of the samples (accessory molecules), and 157 were present in less than 10% of the samples (rare molecules). The core molecules, consisting of aliphatic, aromatic, and carbonyl compounds were validated using 25 additional samples. The validation accuracy was 99.9%. Of the 34 core molecules, 2 molecules (octan-2-one and 4-methyl heptane) have been identified from the plasma samples for the first time. Overall, our pilot study establishes the methodology of profiling VOCs in human plasma and will serve as a resource for blood-derived VOCs that can complement future biomarker studies using different matrices with more heterogeneous cohorts.

源自人体代谢活动的挥发性有机化合物(VOCs)可以在呼吸、尿液、粪便和血液中检测到。因此,已注意从上述矩阵中识别挥发性有机化合物。识别和测量人体血液中挥发性有机化合物的研究仅限于监测特定污染物或血液储存和/或分解的研究。然而,对常规诊断检测采集的人体血液中挥发性有机化合物的全面表征尚缺乏。在这项初步研究中,从表面上健康的成年参与者身上获得了72份血浆样本。采用固相微萃取法从血浆中提取挥发性有机化合物,并采用综合二维气相色谱串联飞行时间质谱法进行分析。对色谱数据进行比对,并通过谱库比较确定假定的化合物身份。所有统计分析,包括污染物去除、数据归一化和转换均使用r进行。我们确定了401个特征,我们称之为人体血浆的泛挥发性。在401个特征中,34个存在于所有样本中,方差小于15%(核心分子),210个存在于大于或等于10%但是
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引用次数: 0
Review of linear and nonlinear models in breath analysis by Cyranose 320. Cyranose 320呼吸分析中的线性和非线性模型综述。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-05-26 DOI: 10.1088/1752-7163/accf31
Maryan Arrieta, Barbara Swanson, Louis Fogg, Abhinav Bhushan

Analysis of volatile organic compounds (VOCs) in breath specimens has potential for point of care (POC) screening due to ease of sample collection. While the electronic nose (e-nose) is a standard VOC measure across a wide range of industries, it has not been adopted for POC screening in healthcare. One limitation of the e-nose is the absence of mathematical models of data analysis that yield easily interpreted findings at POC. The purposes of this review were to (1) examine the sensitivity/specificity results from studies that analyzed breath smellprints using the Cyranose 320, a widely used commercial e-nose, and (2) determine whether linear or nonlinear mathematical models are superior for analyzing Cyranose 320 breath smellprints. This systematic review was conducted according to the guidelines of the Preferred Reporting Items for Systematic Review and Meta-Analyses using keywords related to e-nose and breath. Twenty-two articles met the eligibility criteria. Two studies used a linear model while the rest used nonlinear models. The two studies that used a linear model had a smaller range for mean of sensitivity and higher mean (71.0%-96.0%;M= 83.5%) compared to the studies that used nonlinear models (46.9%-100%;M= 77.0%). Additionally, studies that used linear models had a smaller range for mean of specificity and higher mean (83.0%-91.5%;M= 87.2%) compared to studies that used nonlinear models (56.9%-94.0%;M= 76.9%). Linear models achieved smaller ranges for means of sensitivity and specificity compared to nonlinear models supporting additional investigations of their use for POC testing. Because our findings were derived from studies of heterogenous medical conditions, it is not known if they generalize to specific diagnoses.

呼气样本中挥发性有机化合物(VOCs)的分析由于易于样本采集,有可能用于护理点(POC)筛查。虽然电子鼻(e-nose)是广泛行业的标准VOC测量方法,但它尚未被用于医疗保健中的POC筛查。电子鼻的一个限制是缺乏数据分析的数学模型,无法在POC上产生容易解释的发现。本综述的目的是:(1)检查使用Cyranose 320(一种广泛使用的商用电子鼻)分析呼吸指纹的研究的敏感性/特异性结果,以及(2)确定线性或非线性数学模型是否更适合分析Cyranose 320呼吸指纹。本系统评价根据系统评价和荟萃分析首选报告项目的指南进行,使用与电子鼻和呼吸相关的关键词。22篇文章符合入选标准。两项研究使用线性模型,其余研究使用非线性模型。与使用非线性模型的研究(46.9%-100%,M= 77.0%)相比,使用线性模型的两项研究灵敏度均值范围较小,均值较高(71.0%-96.0%,M= 83.5%)。此外,与使用非线性模型的研究(56.9%-94.0%,M= 76.9%)相比,使用线性模型的研究具有更小的特异性平均值范围和更高的平均值(83.0%-91.5%,M= 87.2%)。与非线性模型相比,线性模型的灵敏度和特异性范围较小,支持对其用于POC测试的额外调查。由于我们的研究结果来自于异质性医疗条件的研究,因此尚不清楚它们是否适用于特定的诊断。
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引用次数: 2
THC in breath aerosols collected with an impaction filter device before and after legal-market product inhalation-a pilot study. 在合法市场产品吸入前后,用撞击过滤装置收集呼吸气溶胶中的四氢大麻酚——一项试点研究。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-05-22 DOI: 10.1088/1752-7163/acd410
Kavita M Jeerage, Cheryle N Beuning, Adam J Friss, L Cinnamon Bidwell, Tara M Lovestead

An accurate cannabis breathalyzer based on quantitation of the psychoactive cannabinoid Δ9-tetrahydrocannabinol (THC) could be an important tool for deterring impaired driving. Such a device does not exist. Simply translating what is known about alcohol breathalyzers is insufficient because ethanol is detected as a vapor. THC has extremely low volatility and is hypothesized to be carried in breath by aerosol particles formed from lung surfactant. Exhaled breath aerosols can be recovered from electrostatic filter devices, but consistent quantitative results across multiple studies have not been demonstrated. We used a simple-to-use impaction filter device to collect breath aerosols from participants before and after they smoked a legal market cannabis flower containing ∼25% Δ9-tetrahydrocannabinolic acid. Breath collection occurred at an intake session (baseline-intake) and four weeks later in a federally-compliant mobile laboratory 15 min before (baseline-experimental) and 1 h after cannabis use (post-use). Cannabis use was in the participant's residence. Participants were asked to follow a breathing maneuver designed to increase aerosol production. Breath extracts were analyzed by liquid chromatography with tandem mass spectrometry with multiple reaction monitoring of two transitions for analytes and their deuterated internal standards. Over more than 1 yr, 42 breath samples from 18 participants were collected and analyzed in six batches. THC was quantified in 31% of baseline-intake, 36% of baseline-experimental, and 80% of 1 h post-use breath extracts. The quantities observed 1 h post-use are compared to those reported in six other pilot studies that sampled breath at known intervals following cannabis use and are discussed with respect to participant characteristics and breath sampling protocols. Larger studies with verified abstinence and more post-use timepoints are necessary to generate statistically significant data to develop meaningful cannabis breathalyzer technology.

一种基于精神活性大麻素Δ9-tetrahydrocannabinol (THC)定量的准确大麻呼气测醉器可能是阻止酒后驾驶的重要工具。这样的装置不存在。简单地解释酒精呼气测醉仪的知识是不够的,因为乙醇是作为蒸气检测的。四氢大麻酚具有极低的挥发性,据推测是由肺表面活性剂形成的气溶胶颗粒在呼吸中携带的。呼出的气溶胶可以从静电过滤装置中回收,但多项研究的一致定量结果尚未得到证实。我们使用了一种简单使用的嵌套过滤装置,在参与者吸食含有25% Δ9-tetrahydrocannabinolic酸的合法市场大麻花之前和之后收集他们的呼吸气溶胶。在吸食大麻前15分钟(吸食基线-吸食)和吸食大麻后1小时(吸食后)在联邦政府规定的移动实验室进行呼吸收集。大麻是在参与者的住所使用的。参与者被要求遵循一种旨在增加气溶胶产生的呼吸动作。采用液相色谱-串联质谱法对呼气提取物进行分析,并对分析物及其氘化内标进行多重反应监测。在一年多的时间里,从18名参与者中收集了42份呼吸样本,并分六批进行了分析。在31%的基线摄入、36%的基线实验和80%的使用后1小时呼吸提取液中,四氢大麻酚被量化。使用后1小时观察到的数量与其他六项试点研究报告的数量进行了比较,这些研究在使用大麻后以已知间隔取样呼吸,并就参与者特征和呼吸取样方案进行了讨论。为了开发有意义的大麻呼气测醉器技术,有必要进行规模更大的研究,验证戒断行为和更多的使用后时间点。
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引用次数: 2
Volatolomics analysis of exhaled breath and gastric-endoluminal gas for distinguishing early upper gastrointestinal cancer from benign. 呼气和胃腔内气体挥发组学分析鉴别早期上消化道肿瘤与良性肿瘤。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-05-03 DOI: 10.1088/1752-7163/accfb8
Chengfang Xiang, Hang Yang, Zhongjun Zhao, Fulong Deng, Yantong Lv, Yanting Yang, Yixiang Duan, Wenwen Li, Bing Hu

Exhaled breath and gastric-endoluminal gas (volatile products of diseased tissues) contain a large number of volatile organic compounds, which are valuable for early diagnosis of upper gastrointestinal (UGI) cancer. In this study, exhaled breath and gastric-endoluminal gas of patients with UGI cancer and benign disease were analyzed by gas chromatography-mass spectrometry (GC-MS) and ultraviolet photoionization time-of-flight mass spectrometry (UVP-TOFMS) to construct UGI cancer diagnostic models. Breath samples of 116 UGI cancer and 77 benign disease subjects and gastric-endoluminal gas samples of 114 UGI cancer and 76 benign disease subjects were collected. Machine learning (ML) algorithms were used to construct UGI cancer diagnostic models. Classification models based on exhaled breath for distinguishing UGI cancer from the benign group have area under the curve (AUC) of receiver operating characteristic curve values of 0.959 and 0.994 corresponding to GC-MS and UVP-TOFMS analysis, respectively. The AUC values of models based on gastric-endoluminal gas for UGI cancer and benign group classification are 0.935 and 0.929 corresponding to GC-MS and UVP-TOFMS analysis, respectively. This work indicates that volatolomics analysis of exhaled breath and gastric-endoluminal diseased tissues have great potential in early screening of UGI cancer. Moreover, gastric-endoluminal gas can be a means of gas biopsy to provide auxiliary information for the examination of tissue lesions during gastroscopy.

呼出的气体和胃腔内气体(病变组织的挥发性产物)含有大量挥发性有机化合物,对上胃肠道(UGI)癌症的早期诊断有价值。本研究采用气相色谱-质谱联用(GC-MS)和紫外光电离飞行时间质谱联用(UVP-TOFMS)对UGI癌及良性疾病患者的呼出气体和胃腔内气体进行分析,建立UGI癌诊断模型。收集了116例UGI癌和77例良性疾病受试者的呼气样本,114例UGI癌和76例良性疾病受试者的胃内气体样本。采用机器学习(ML)算法构建UGI癌症诊断模型。呼气分类模型鉴别UGI癌与良性组的GC-MS和UVP-TOFMS分析对应的受试者工作特征曲线下面积(AUC)分别为0.959和0.994。GC-MS和UVP-TOFMS分析的胃腔内气体模型UGI癌组和良性组的AUC值分别为0.935和0.929。这项工作表明,呼气和胃-腔内病变组织的挥发组学分析在早期筛查UGI癌症方面具有很大的潜力。此外,胃腔内气体可以作为气体活检的一种手段,为胃镜检查过程中组织病变的检查提供辅助信息。
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引用次数: 2
Emissions and uptake of volatiles by sampling components in breath analysis. 呼气分析中取样成分对挥发物的排放和吸收。
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-05-03 DOI: 10.1088/1752-7163/acce34
Y Lan Pham, Olaf Holz, Jonathan D Beauchamp

The first and most crucial step in breath research is adequate sampling, which plays a pivotal role in quality assurance of breath datasets. In particular, the emissions or uptake of volatile organic compounds (VOCs) by sampling interface materials present a risk of disrupting breath gas samples. This study investigated emissions and uptake by three interface components, namely a silicon facemask, a reusable 3D-printed mouthpiece adapter, and a pulmonary function test filter compatible with the commercial Respiration Collector forIn-VitroAnalysis (ReCIVA) breath sampling device. Emissions were examined before and after (hydro-)thermal treatment of the components, and uptake was assessed by exposing each material to 12 representative breath VOCs comprising alcohols, aldehydes, ketones, carboxylic acids, terpenes, sulphurous and nitrogenous compounds at different target concentration ranges (∼10 ppbVand ∼100 ppbV). Chemical analyses of VOCs were performed using proton transfer reaction-time-of-flight-mass spectrometry (PTR-TOFMS) with supporting analyses via thermal desorption comprehensive two-dimensional gas chromatography-TOFMS (TD-GC×GC-TOFMS). The filter exhibited the lowest overall emissions compared to the mask or adapter, which both had equivalently high emissions (albeit for different compounds). Treatment of the materials reduced the total VOC emissions by 62% in the mask, 89% in the filter and 99% in the adapter. Uptakes of compounds were lowest for the adapter and most pronounced in the mask. In particular, 1-butanol, acetone, 2-butanone, 1,8-cineole and dimethyl sulphide showed negligible uptake across all materials, whereas ethanol, nonanal, acetic acid, butanoic acid, limonene and indole exhibited marked losses. Knowledge of emissions and/or uptake by sampling components is key to reducing the likelihood of erroneous data interpretation, ultimately expediting progress in the field of breath test development.

呼吸研究的第一步和最关键的一步是充分的采样,它在呼吸数据集的质量保证中起关键作用。特别是,通过采样界面材料排放或吸收挥发性有机化合物(VOCs)存在破坏呼吸气体样本的风险。本研究调查了三种接口组件的排放和吸收,即硅面罩,可重复使用的3d打印嘴适配器和肺功能测试过滤器,该过滤器与商用体外分析呼吸收集器(receva)呼吸采样设备兼容。在对这些成分进行(氢)热处理之前和之后,研究人员检查了排放情况,并通过将每种材料暴露于12种具有代表性的呼气挥发性有机化合物中,这些挥发性有机化合物包括不同目标浓度范围(~ 10 ppbV和~ 100 ppbV)的醇类、醛类、酮类、羧酸类、萜烯类、含硫和含氮化合物。挥发性有机化合物的化学分析采用质子转移反应-飞行时间质谱法(PTR-TOFMS)进行,辅助分析采用热解吸综合二维气相色谱- tofms (TD-GC×GC-TOFMS)。与面罩或适配器相比,过滤器的总排放量最低,两者的排放量都相当高(尽管针对不同的化合物)。材料的处理减少了面罩中62%的VOC排放,过滤器中89%的排放,适配器中99%的排放。适配器对化合物的吸收最低,口罩对化合物的吸收最明显。特别是,1-丁醇、丙酮、2-丁酮、1,8-桉树脑和二甲基硫化物在所有材料中的吸收都可以忽略不计,而乙醇、壬醛、乙酸、丁酸、柠檬烯和吲哚则表现出明显的损失。了解采样组件的排放和/或吸收是减少错误数据解释可能性的关键,最终加快呼吸测试开发领域的进展。
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引用次数: 1
Association between one-year exposure to air pollution and the prevalence of pulmonary nodules in China. 中国一年空气污染暴露与肺结节患病率之间的关系
IF 3.8 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2023-04-27 DOI: 10.1088/1752-7163/accbe4
Yuanyuan Cao, Tao Sun, Zhanpeng Wang, Fang Lei, Lijin Lin, Xingyuan Zhang, Xiaohui Song, Xiao-Jing Zhang, Peng Zhang, Zhi-Gang She, Jingjing Cai, Shujuan Yang, Peng Jia, Jian Li, Hongliang Li

PM2.5is a well-known airborne hazard to cause various diseases. Evidence suggests that air pollution exposure contributes to the occurrence of pulmonary nodules. Pulmonary nodules detected on the computed tomography scans can be malignant or progress to malignant during follow-up. But the evidence of the association between PM2.5exposure and pulmonary nodules was limited. To examine potential associations of exposures to PM2.5and its major chemical constituents with the prevalence of pulmonary nodules. A total of 16 865 participants were investigated from eight physical examination centers in China from 2014 to 2017. The daily concentrations of PM2.5and its five components were estimated by high-resolution and high-quality spatiotemporal datasets of ground-level air pollutants in China. The logistic regression and the quantile-based g-computation models were used to assess the single and mixture impact of air pollutant PM2.5and its components on the risk of pulmonary nodules, respectively. Each 1 mg m-3increase in PM2.5(OR 1.011 (95% CI: 1.007-1.014)) was positively associated with pulmonary nodules. Among five PM2.5components, in single-pollutant effect models, every 1μg m-3increase in organic matter (OM), black carbon (BC), and NO3-elevated the risk of pulmonary nodule prevalence by 1.040 (95% CI: 1.025-1.055), 1.314 (95% CI: 1.209-1.407) and 1.021 (95% CI: 1.007-1.035) fold, respectively. In mixture-pollutant effect models, the joint effect of every quintile increase in PM2.5components was 1.076 (95% CI: 1.023-1.133) fold. Notably, NO3-BC and OM contributed higher risks of pulmonary nodules than other PM2.5components. And the NO3-particles were identified to have the highest contribution. The impacts of PM2.5components on pulmonary nodules were consistent across gender and age.These findings provide important evidence for the positive correlation between exposure to PM2.5and pulmonary nodules in China and identify that NO3-particles have the highest contribution to the risk.

众所周知,pm2.5是一种空气传播的危害物质,可导致多种疾病。有证据表明,接触空气污染有助于肺结节的发生。在计算机断层扫描中发现的肺结节可能是恶性的或在随访中进展为恶性。但是pm2.5暴露与肺结节之间关联的证据有限。研究暴露于pm2.5及其主要化学成分与肺结节患病率的潜在关联。2014年至2017年,共调查了来自中国8个体检中心的16865名参与者。利用高分辨率、高质量的中国地面空气污染物时空数据集估算了pm2.5及其5个组分的日浓度。采用logistic回归和基于分位数的g计算模型分别评估空气污染物pm2.5及其组分对肺结节风险的单一和混合影响。PM2.5每增加1 mg m-3 (OR 1.011 (95% CI: 1.007-1.014))与肺结节呈正相关。在5种pm2.5成分中,在单污染物效应模型中,有机物(OM)、黑碳(BC)和no3每增加1μg m-3,肺结节患病率分别增加1.040倍(95% CI: 1.025 ~ 1.055)、1.314倍(95% CI: 1.209 ~ 1.407)和1.021倍(95% CI: 1.007 ~ 1.035)。在混合污染物效应模型中,pm2.5成分每增加五分位数的联合效应为1.076倍(95% CI: 1.023-1.133)。值得注意的是,NO3-BC和OM对肺结节的风险高于其他pm2.5成分。其中no3颗粒的贡献最大。pm2.5成分对肺结节的影响在性别和年龄上是一致的。这些发现为pm2.5暴露与中国肺结节正相关提供了重要证据,并确定no3颗粒对风险的贡献最大。
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引用次数: 1
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Journal of breath research
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