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Stomach cancer identification based on exhaled breath analysis: a review. 基于呼气分析的胃癌鉴别研究进展。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-04-15 DOI: 10.1088/1752-7163/adc979
E Poornima, E Chandra, Porkodi Rajendran, P B Pankajavalli

Early prediction of cancer is crucial for effective treatment decisions. Stomach cancer is one of the worst malignancies in the world because it does not reveal the growth in symptoms. In recent years, non-invasive diagnostic methods, particularly exhaled breath analysis, have attracted interest in detecting stomach cancer. This review discusses invasive and non-invasive diagnostic methods for stomach cancer, with a special emphasis on breath analysis and electronic nose (e-nose) technology. Various analytical methods have been used to analyze volatile organic compounds (VOCs) associated with stomach cancer. Gas chromatography-mass Spectrometry is one of the most widely used techniques. These techniques enable the detection and analysis of VOCs, offering a promising route for early stomach cancer diagnosis. The e-nose system has been introduced as a cost-effective and portable alternative for VOC detection in stomach cancer to overcome the challenges associated with conventional methods. This review discusses the advantages and disadvantages of the e-nose system. This review recommends that e-nose sensors, combined with advanced pattern recognition techniques, be utilized to enable rapid and reliable diagnosis of stomach cancer.

癌症的早期预测对有效的治疗决策至关重要。胃癌是世界上最严重的恶性肿瘤之一,因为它不会显示出症状的增长。近年来,非侵入性诊断方法,特别是呼气分析,已引起人们对胃癌检测的兴趣。本文综述了胃癌的有创和无创诊断方法,重点介绍了呼吸分析和电子鼻技术。胃癌相关挥发性有机化合物(VOCs)的分析方法多种多样,其中气相色谱-质谱联用(GC-MS)是应用最广泛的分析方法之一。本文综述了非侵入性呼吸方法,以及电子鼻系统的集成。这些技术使VOCs的检测和分析成为可能,为胃癌的早期诊断提供了一条有希望的途径。为了克服与传统方法相关的挑战,电子鼻系统已被引入,作为一种具有成本效益和便携式的VOC检测替代方案。本文综述了电子鼻系统的优缺点。本文建议将电子鼻传感器与先进的模式识别技术相结合,以实现胃癌的快速可靠诊断。
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引用次数: 0
Collection of Δ9-tetrahydrocannabinol from breath by liquid secondary adsorption analyzed with mass spectrometry: a technical note. 液相二次吸附质谱法收集呼气中△9-四氢大麻酚:技术说明。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-04-11 DOI: 10.1088/1752-7163/adc7d1
Mikko Määttä, Pedro Fraccarolli, Jared Boock, Raj Attariwala

We introduce a novel method for efficient collection of analytes of low volatility from human breath, liquid secondary adsorption (LSA), and the application of this method to drug detection with mass spectrometry. Cannabis legalization has occurred in many jurisdictions, creating a need for a simple method for detection of recency of use. Most existing breath sampling methods rely on a time consuming and complex process of adsorption of the analyte of interest, and still often result in low collection efficiencies. The pilot study shows the capability of a breath capture technique and mass spectrometry add on analysis device (Cannabix Breath Analysis System) to easily collect breath samples in the field and rapidly analyze them without complex sample preparation. The study also shows correlation between the breath data collected with this method and blood Δ9-tetrahydrocannabinol (THC) levels.

介绍了一种高效采集人体呼吸中低挥发性分析物的新方法——液体二次吸附法(LSA),并将该方法应用于药物质谱检测。大麻合法化已在许多司法管辖区发生,因此需要一种简单的方法来检测最近的使用情况。大多数现有的呼吸采样方法依赖于一个耗时和复杂的过程的吸附感兴趣的分析物,仍然经常导致低收集效率。初步研究表明,呼吸捕获技术和质谱分析设备(大麻呼吸分析系统)能够轻松地在现场收集呼吸样本并快速分析,而无需复杂的样品制备。该研究还显示了用这种方法收集的呼吸数据与血液Δ9-tetrahydrocannabinol(四氢大麻酚)水平之间的相关性。
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引用次数: 0
Rapid, non-invasive breath analysis for enhancing detection of silicosis using mass spectrometry and interpretable machine learning. 利用质谱法和可解释的机器学习进行快速、无创的呼吸分析,以加强对矽肺病的检测。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-03-21 DOI: 10.1088/1752-7163/adbc11
Merryn J Baker, Jeff Gordon, Aruvi Thiruvarudchelvan, Deborah Yates, William A Donald

Occupational lung diseases, such as silicosis, are a significant global health concern, especially with increasing exposure to engineered stone dust. Early detection of silicosis is helpful for preventing disease progression, but existing diagnostic methods, including x-rays, computed tomography scans, and spirometry, often detect the disease only at late stages. This study investigates a rapid, non-invasive diagnostic approach using atmospheric pressure chemical ionization-mass spectrometry (APCI-MS) to analyze volatile organic compounds (VOCs) in exhaled breath from 31 silicosis patients and 60 healthy controls. Six different interpretable machine learning (ML) models with Shapley additive explanations (SHAP) were applied to classify these samples and determine VOC features that contribute the most significantly to model accuracy. The extreme gradient boosting classifier demonstrated the highest performance, achieving an area under the receiver-operator characteristic curve of 0.933 with the top ten SHAP features. Them/z442 feature, potentially corresponding to leukotriene-E3, emerged as a significant predictor for silicosis. The VOC sampling and measurement process takes less than five minutes per sample, highlighting its potential suitability for large-scale population screening. Moreover, the ML models are interpretable through SHAP, providing insights into the features contributing to the model's predictions. This study suggests that APCI-MS breath analysis could enable early and non-invasive diagnosis of silicosis, helping to improve disease outcomes.

职业性肺病,如矽肺病,是一个重大的全球健康问题,特别是随着越来越多地接触工程石尘。矽肺的早期发现有助于预防疾病进展,但现有的诊断方法,包括x射线,计算机断层扫描和肺活量测定法,通常只能在晚期发现疾病。本研究探讨了一种快速、无创的诊断方法,使用大气压化学电离-质谱(APCI-MS)分析31名矽肺患者和60名健康对照者呼出气体中的挥发性有机化合物(VOCs)。六种不同的可解释机器学习(ML)模型与Shapley加性解释(SHAP)被应用于分类这些样本,并确定对模型准确性贡献最大的VOC特征。极端梯度增强分类器表现出最好的性能,在接收算子特征曲线下的面积为0.933,具有前10个SHAP特征。m/z 442特征,可能对应于白三烯- e3,成为矽肺病的重要预测因子。挥发性有机化合物的采样和测量过程每个样本需要不到五分钟,突出了其潜在的适合大规模人群筛选。此外,机器学习模型可以通过SHAP进行解释,从而深入了解有助于模型预测的特征。本研究表明,APCI-MS呼吸分析可以实现矽肺的早期和非侵入性诊断,有助于改善疾病预后。
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引用次数: 0
Exhaled carbon monoxide: variations due to collection method and physiology. 呼出的一氧化碳:由于收集方法和生理的变化。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-03-14 DOI: 10.1088/1752-7163/adba05
Shahriar Arbabi, Eric P Smith, Jacob J Fondriest, Nagako Akeno, Robert S Franco, Robert M Cohen

The measurement of exhaled carbon monoxide (eCO) is relevant to understanding normal physiology and disease states but has been limited by deficiencies in valid sampling protocols, accurate and feasible measurement methods, and the understanding of normal physiological variation. The purposes of this study were (1) to compare the three collection methods for eCO and (2) to gain a better understanding of patterns of normal variation by obtaining repeated daily and weekly measurements. We compared three techniques to sample eCO: continuous breathing(ConB), breath-holding(BrH), and short rebreathing (SrB). We used a Carbolyzer mBA-2000 instrument that involves an electrochemical method to quantify CO, with the final value corrected for ambient CO. InPhase I, we comparedConBwithBrHin 10 healthy non-smokers (5 male, five female). On day 1, the eCO was determined from 07:30 to 17:00 (11 samples), and the first four morning time points were repeated on days 7, 14, and 21.ConBhad a lower eCO thanBrH,and eCO2was frequently below the threshold of 4.6% compatible with inadequate alveolar sampling. The eCO measured by theConBandBrHmethods increased during the day and showed week-to-week variability. InPhase II, we compared theBrHandSrBtechniques by collecting prebreakfast samples weekly for four weeks in 30 healthy non-smokers (15 male,15 female). Comparing theSrBvs. theBrHmethod,SrBwas the easier for the participants to perform, generated higher eCO (∼ 0.5 ppm), and produced higher eCO2 levels (5.2% ± 0.3 vs. 5.0% ± 0.2); Importantly,Phase IIstudy revealed that week-to-week changes in prebreakfast fasting eCO for individual participants were ⩾1.0 ppm in ∼ 37%. This variability complicates the interpretation of the relationship between small changes in eCO and the underlying physiological or disease states.

呼出一氧化碳(eCO)的测量与了解正常生理和疾病状态有关,但由于缺乏有效的采样方案、准确可行的测量方法以及对正常生理变化的理解而受到限制。本研究的目的是:(1)比较eCO的三种收集方法;(2)通过每日和每周的重复测量来更好地了解正常变化的模式。我们比较了三种方法:连续呼吸(ConB)、屏气(BrH)和短时间再呼吸(SrB)。我们使用了Carbolyzer mBA-2000仪器,该仪器包括电化学方法来量化CO,并根据环境CO校正了最终值。在第一阶段,我们比较了10名健康非吸烟者(5名男性,5名女性)的ConB和BrH。在第1天,从0730到1700(11个样本)测定eCO,并在第7、14和21天重复前4个早晨时间点。ConB的eCO低于BrH, eCO2经常低于4.6%的阈值,这与肺泡采样不足相一致。ConB和BrH方法测得的eCO在白天增加,并表现出周变化。在第二阶段,我们通过每周收集30名健康非吸烟者(15名男性,15名女性)的早餐前样本来比较BrH和SrB技术,为期四周。SrB法与BrH法比较,SrB法更容易被试执行,产生更高的eCO (~0.5 ppm),产生更高的eCO2水平(5.2%±0.3 vs 5.0%±0.2);重要的是,II期研究显示,个别参与者早餐前禁食eCO的周变化≥1.0 ppm,占37%。这种可变性使对eCO微小变化与潜在生理或疾病状态之间关系的解释复杂化。
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引用次数: 0
Salivary metabolites profiling for diagnosis of COPD: an exploratory study. 唾液代谢物分析诊断慢性阻塞性肺病:一项探索性研究。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-03-13 DOI: 10.1088/1752-7163/adba07
Zhang Zherong, Lv Yan, Gong Meng, Li Juan, Zhang Yayun, Wu Songze, Zhang Yu, Cheng Deyun, Fan Tao

Pulmonary function tests (PFTs) are the gold standard for diagnosing of Chronic obstructive pulmonary disease (COPD). Given its limitation in some scenarios, it is imperative to develop new high-throughput screening methods for biomarkers in diagnosing COPD. This study aims to explore the feasibility of screening novel diagnostic biomarkers based on salivary metabolomics for the limited availability of PFTs and difficulties in implementation at primary care facilities. Participants were recruited from the outpatient department of West China Hospital. Saliva samples were collected to analyze the metabolites through the UPLC-Q-Exactive Orbitrap-MS platform. The raw data from the mass spectrometer was preprocessed with R software after peak extraction. The Wilcoxon rank sum test, Fold change analysis, PCA and orthogonal partial least squares - discriminant analysis were used to identify potential biomarkers. The receiver operating characteristic curve was used to assess the diagnostic efficacy of the predictive model generated by potential biomarkers. Saliva samples were collected from 66 patients with COPD and 55 healthy volunteers. Significant differences in the salivary metabolome between COPD patients and healthy controls were identified, with 261 differential metabolites recognized, 16 of which were considered as potential biomarker. The diagnostic model generated by these 16 biomarkers can successfully distinguish COPD patients from healthy people. Salivary metabolomic profiling is likely to emerge as a promising method for screening potential diagnostic biomarkers of COPD. Further prospective studies with large sample size are needed to verify the predictive value of these biomarkers in COPD diagnosis.Trial registrationThe study is registered with the China Clinical Trial Registry (www.chictr.org.cn/searchprojEN.html) on 26 September 2022, registration number: ChiCTR2200064091.

肺功能测试(PFTs)是诊断慢性阻塞性肺疾病(COPD)的金标准。鉴于其在某些情况下的局限性,开发新的高通量筛选方法诊断COPD的生物标志物势在必行。本研究旨在探讨基于唾液代谢组学筛选新型诊断生物标志物的可行性,以解决pft可获得性有限和在初级保健机构实施困难的问题。方法:从华西医院门诊部招募参与者。采集唾液样品,通过UPLC-Q-Exactive Orbitrap-MS平台分析代谢物。提取峰后的质谱仪原始数据用R软件进行预处理。使用Wilcoxon秩和检验、Fold变化分析、PCA和OPLS-DA鉴定潜在的生物标志物。ROC曲线用于评估潜在生物标志物生成的预测模型的诊断效果。 ;结果:收集了66例COPD患者和55名健康志愿者的唾液样本。发现COPD患者与健康对照者的唾液代谢组存在显著差异,共发现261种差异代谢物,其中16种被认为是潜在的生物标志物。由这16个生物标志物生成的诊断模型可以成功地将COPD患者与健康人区分开来。唾液代谢组学分析可能成为筛选COPD潜在诊断生物标志物的一种有前景的方法。需要进一步的大样本量的前瞻性研究来验证这些生物标志物在COPD诊断中的预测价值。
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引用次数: 0
Assessing the feasibility of breath collection from conscious young children to support volatilome analysis: insights into age limitations and breath sampling requirements. 评估从有意识的幼儿呼吸收集以支持挥发性分析的可行性:对年龄限制和呼吸采样要求的见解。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-03-12 DOI: 10.1088/1752-7163/adbc12
Robyn L Marsh, Mostafa Hashemi, Miza Mwanza, Hannah E O'Farrell, Lesley A Versteegh, Alaa Heshmati, Yitayal Anteneh, Stephanie T Yerkovich, Julie M Marchant, Anne B Chang, Jane E Hill

Breath volatile organic compounds (VOCs) are increasingly under consideration as biomarkers of respiratory disease. Although numerous studies have identified VOCs that distinguish patient groups, a lack of standardisation among published studies has impeded translation into clinical diagnostics. Standardised breath collection protocols have been proposed for adults and children aged >4 years, but optimal methods for collecting breath from younger children remain to be determined. The aim of this study was to assess the feasibility and acceptability of breath sampling among a young paediatric cohort. A total of 61 children (age 6 months-12 years) were recruited prospectively to observational studies of chronic cough at two study sites. Mixed expiratory breath was collected into 1 l Tedlar Bags using either a drinking straw, mouthpiece, or mask. After concentrating onto thermal desorption tubes, the breath was analysed using two-dimensional gas chromatography coupled with time-of-flight mass spectrometry. Breath collection via a mouthpiece was highly feasible for children aged >2 years. Mask-based collection was required for younger children but was poorly tolerated. Drinking straw-based collections were unsuitable for some children aged <4 years due to challenges maintaining a sufficient seal. At least 700 ml of breath was sampled from 72.6% of children. The number of peaks per sample, total peak area per sample, and composition of breath VOCs were all consistent with successful breath sampling. The high feasibility of breath collection via a mouthpiece in our study suggests established protocols designed for children aged over 4 years can be used with confidence for children from as young as 2 years of age.

背景:呼吸中的挥发性有机化合物(VOCs)越来越多地被认为是呼吸系统疾病的生物标志物。尽管许多研究已经确定了区分患者群体的挥发性有机化合物,但已发表的研究缺乏标准化,阻碍了转化为临床诊断。已经提出了针对成人和4岁儿童的标准化呼吸收集方案,但收集幼儿呼吸的最佳方法仍有待确定。目的:本研究的目的是评估年轻儿科队列呼吸采样的可行性和可接受性。方法:在两个研究地点前瞻性地招募61名儿童(6个月- 12岁)进行慢性咳嗽的观察性研究。混合呼气气收集到1L泰德勒袋使用吸管,嘴或口罩。在集中到热解吸管上后,使用二维气相色谱法和飞行时间质谱法(GC×GC-TOFMS)对呼吸进行分析。结果:通过牙套收集呼吸对于bb0 ~ 2岁儿童是非常可行的。年龄较小的儿童需要口罩收集,但耐受性差。以吸管为基础的饮水不适合一些年龄较大的儿童
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引用次数: 0
Exhaled volatile organic compounds associated with chronic obstructive pulmonary disease exacerbations-a systematic review and validation. 呼出的挥发性有机化合物与慢性阻塞性肺疾病加重相关——系统评价和验证
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-03-11 DOI: 10.1088/1752-7163/adba06
Jorrit van Poelgeest, Shahriyar Shahbazi Khamas, Ahmed Hallawa, Cristian D'Alessandro, Ricardo Ferreira, Anke H Maitland-van der Zee, Paul Brinkman

Chronic obstructive pulmonary disease (COPD) exacerbations significantly contribute to disease progression, hospitalizations, and decreased quality of life. Early detection of exacerbations through non-invasive methods, such as exhaled volatile organic compounds (VOCs), could enable timely interventions. This study aimed to identify and validate candidate VOC biomarkers that are associated with exacerbations and stable phases of COPD, and could contribute to the development of a breath-based monitoring device. A systematic review was conducted to identify VOCs associated with COPD and exacerbations. VOCs were selected as candidate biomarkers if they were reported in at least two studies by different research groups. These VOCs were then validated using longitudinal exhaled breath data from the TEXACOLD study, where exhaled breath samples were collected at baseline, during exacerbation, and at follow-up in 14 COPD patients. Sparse partial least squares-discriminant analysis was applied to differentiate between samples collected during exacerbation and those at stable phases. Diagnostic accuracy was assessed using receiver operating characteristic (ROC) curves. The systematic review identified nine candidate VOCs. Three were excluded from validation because their dataset overlapped with one used in one of the included review studies. Validation confirmed the discriminatory power of a composite model of these six VOCs, achieving an area under the ROC curve of 0.98, a diagnostic accuracy of 94.3% and a sensitivity of 0.97 and a specificity of 0.93. This study demonstrates that exhaled VOCs can differentiate between exacerbations and stable phases in COPD patients. The validated biomarkers hold promise for future clinical applications, particularly in the development of a non-invasive, breath-based monitoring device for early detection and management of COPD exacerbations, potentially reducing hospitalizations and improving patient outcomes.

理由:慢性阻塞性肺疾病(COPD)的恶化显著促进疾病进展、住院治疗和生活质量下降。通过非侵入性方法(如呼出的挥发性有机化合物(VOCs))早期发现病情恶化,可以实现及时干预。本研究旨在确定和验证与COPD加重期和稳定期相关的候选VOC生物标志物,并可能有助于开发基于呼吸的监测设备。方法:进行系统综述以确定与COPD和加重期相关的VOC。如果VOCs被不同的研究小组在至少两项研究中报告,则被选为候选生物标志物。然后使用TEXACOLD研究中的纵向呼气数据验证这些VOCs,其中在基线,加重期间和随访期间收集14名COPD患者的呼气样本。采用稀疏偏最小二乘判别分析(sPLS-DA)对急性加重期和稳定期采集的样本进行区分。使用受试者工作特征(ROC)曲线评估诊断准确性。结果:系统评价确定了9种候选挥发性有机化合物。其中三人被排除在验证之外,因为他们的数据集与其中一项纳入的综述研究中使用的数据集重叠。验证证实了这六种VOCs的复合模型的鉴别能力,其ROC曲线下面积为0.98,诊断准确率为94.3%,灵敏度为0.97,特异性为0.93。结论:本研究表明,呼出VOCs可以区分COPD患者的加重期和稳定期。这些经过验证的生物标志物有望在未来的临床应用中得到应用,特别是在开发一种无创、基于呼吸的监测设备,用于COPD恶化的早期检测和管理,有可能减少住院治疗并改善患者的预后。
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引用次数: 0
Extraoral halitosis in functional dyspepsia and its association with small intestinal bacterial overgrowth. 功能性消化不良的口外口臭及其与小肠细菌过度生长的关系。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-02-13 DOI: 10.1088/1752-7163/adb208
Lei Yang, Jing Jue Gong, Xiao Ju Mo, Xiao Xian Qian

Small intestinal bacterial overgrowth (SIBO) and extraoral halitosis are often observed in functional dyspepsia (FD). We aimed to identify their associations for the first time. In this study, extraoral halitosis was diagnosed and assessed through the organoleptic score (OLS). Total symptom score (TSS) of FD, SIBO, gastricHelicobacter pylori(H. pylori) infection, and three exhaled volatile sulfur compounds (VSCs) (hydrogen sulfide, methyl mercaptan, and dimethyl sulfide (DMS)), were evaluated. Finally, 63 non-halitosis patients and 45 halitosis patients with extraoral halitosis were identified. Compared to non-halitosis patients, halitosis patients exhibited significantly higher TSS (86 [56, 123] vs 43 [34, 57],P< 0.001) and SIBO positivity rate (66.67% vs 11.11%,P< 0.001), but similarH. pyloripositivity rate. The adjusted odds ratios of TSS and SIBO were 1.06 and 5.02, respectively. The area under curve of the combination of TSS and SIBO for predicting extraoral halitosis was 0.89. Positive correlations were observed between TSS and OLS (r= 0.64), and between TSS and exhaled DMS level (r= 0.86), respectively. The other two VSCs were undetectable or of little value. We conclude that: (1) Extraoral halitosis is closely associated with FD and SIBO; (2) DMS is its primary contributing VSC; (3) FD patients with SIBO as opposed to gastricH. pyloriinfection are more prone to extraoral halitosis; (4) Clinicians should be aware of SIBO in the management of extraoral halitosis in FD.

功能性消化不良(FD)患者经常会出现小肠细菌过度生长(SIBO)和口外口臭。我们旨在首次确定它们之间的关联。在这项研究中,口外口臭是通过感官评分(OLS)来诊断和评估的。研究还评估了 FD 的症状总分(TSS)、小肠细菌过度生长(SIBO)、胃幽门螺旋杆菌(H. pylori)感染以及三种呼出的挥发性硫化合物(VSCs)(硫化氢、甲硫醇和二甲基硫醚 [DMS])。最后,63 名非口臭患者和 45 名口外口臭患者被确定为口臭患者。与非口臭患者相比,口臭患者的 TSS(86 [56, 123] vs. 43 [34, 57],P < 0.001)和 SIBO 阳性率(66.67% vs. 11.11%,P < 0.001)明显更高,但幽门螺杆菌阳性率相似。TSS和SIBO的调整后几率分别为1.06和5.02。TSS和SIBO组合预测口外口臭的曲线下面积(AUC)为0.89。在 TSS 和 OLS(r = 0.64)以及 TSS 和呼出 DMS 水平(r = 0.86)之间分别观察到正相关。其他两个 VSC 检测不到或价值不大。我们得出以下结论(1)口外口臭与 FD 和 SIBO 密切相关;(2)DMS 是导致口外口臭的主要 VSC;(3)与胃幽门螺杆菌感染相比,患有 SIBO 的 FD 患者更容易出现口外口臭;(4)临床医生在处理 FD 口外口臭时应注意 SIBO。
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引用次数: 0
Feasibility of detecting non-small cell lung cancer using exhaled breath condensate metabolomics. 呼气冷凝物代谢组学检测非小细胞肺癌的可行性。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-02-05 DOI: 10.1088/1752-7163/adab88
Sha Wang, Heng Chu, Guoan Wang, Zhe Zhang, Shining Yin, Jingguang Lu, Yuehang Dong, Xiaoling Zang, Zhihua Lv

Lung cancer is one of the most common malignancy in the world, and early detection of lung cancer remains a challenge. The exhaled breath condensate (EBC) from lung and trachea can be collected totally noninvasively. In this study, our aim is to identify differential metabolites between non-small cell lung cancer (NSCLC) and control EBC samples and discriminate NSCLC group from control group by orthogonal projections to latent structures-discriminant analysis (OPLS-DA) models. The EBC differential metabolites between NSCLC patients (n= 29) and controls (n= 24) (20 healthy and 4 benign individuals) were identified using ultra-performance liquid chromatography-high resolution mass spectrometry based untargeted metabolomics method. The upregulated metabolites in EBC of NSCLC included amino acids and derivatives (phenylalanine, tryptophan, 1-carboxyethylisoleucine/1-carboxyethylleucine, and 2-octenoylglycine), dipeptides (leucyl-phenylalanine, leucyl-leucine, leucyl-histidine/isoleucyl-histidine, and prolyl-valine), and fatty acids (tridecenoic acid, hexadecadienoic acid, tetradecadienoic acid, 9,12,13-trihydroxyoctadec-10-enoic acid/9,10,13-trihydroxyoctadec-11-enoic acid (9,12,13-TriHOME/9,10,13-TriHOME), 3-hydroxysebacic acid/2-hydroxydecanedioic acid, 9-oxooctadeca-10,12-dienoic acid/9,10-Epoxy-12,15-octadecadienoate (9-oxoODE/9(10)-EpODE), and suberic acid). The downregulated metabolites in EBC of NSCLC were 3,4-methylenesebacic acid, 2-isopropylmalic acid/3-isopropylmalic acid/2,3-dimethyl-3-hydroxyglutaric acid, and trimethylamine-N-oxide. The OPLS-DA model based on 5 EBC metabolites achieved 86.2% sensitivity, 83.3% specificity and 84.9% accuracy, showing a potential to distinguish NSCLC patients from controls.

肺癌是世界上最常见的恶性肿瘤之一,肺癌的早期发现仍然是一个挑战。从肺和气管呼出的气凝物(EBC)可以完全无创收集。在本研究中,我们的目的是通过正交投影到潜在结构判别分析(OPLS-DA)模型,鉴定非小细胞肺癌(NSCLC)和对照EBC样本之间的差异代谢物,并区分NSCLC组和对照组。采用基于超高效液相色谱-高分辨率质谱(UPLC-HRMS)的非靶向代谢组学方法,鉴定了NSCLC患者(n = 29)和对照组(n = 24)(20名健康个体和4名良性个体)的EBC差异代谢物。EBC的NSCLC的调节代谢产物包括氨基酸和衍生品(苯丙氨酸、色氨酸、1-carboxyethylisoleucine / 1-carboxyethylleucine和2-octenoylglycine),二肽(leucyl-phenylalanine、leucyl-leucine leucyl-histidine / isoleucyl-histidine和prolyl-valine),和脂肪酸(tridecenoic酸,hexadecadienoic酸、tetradecadienoic酸、9日12日13-trihydroxyoctadec-10-enoic酸/ 9日10日13-trihydroxyoctadec-11-enoic酸(13-TriHOME 9日12日/ 9 10 13-TriHOME),3-羟基癸二酸/2-羟基癸二酸,9-氧八乙酸-10,12-二烯酸/9,10-环氧-12,15-十八二烯酸(9-氧二酸/9(10)-环氧)和亚酰基酸)。NSCLC EBC中下调的代谢物为3,4-亚甲基乙酸、2-异丙基苹果酸/3-异丙基苹果酸/2,3-二甲基-3-羟基戊二酸和三甲胺- n -氧化物(TMAO)。基于5种EBC代谢物的OPLS-DA模型灵敏度为86.2%,特异性为83.3%,准确率为84.9%,显示出将NSCLC患者与对照组区分开来的潜力。
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引用次数: 0
Accessible halitosis diagnosis: validating the accuracy of novel AI-based compact VSC measuring instrument. 无障碍口臭诊断:验证新型基于人工智能的紧凑型VSC测量仪的准确性。
IF 3.7 4区 医学 Q1 BIOCHEMICAL RESEARCH METHODS Pub Date : 2025-01-31 DOI: 10.1088/1752-7163/ada84e
Suguru Enomoto, Takashi Zaitsu, Risa Aritomi, Hiroshi Akiyama, Jun Aida

Halitosis presents a significant global health concern, necessitating the development of precise and efficient testing methodologies owing to the high prevalence and the associated social and psychological effects. The measurement of volatile sulfur compounds (VSCs), recognized as primary contributors to halitosis, is particularly significant. While gas chromatography (GC-MS) offers accurate measurements, its bulky and expensive nature limits widespread accessibility. Hence, this study endeavors to devise a compact yet highly accurate AI-based halitosis measurement apparatus, termed 'Kunkun dental' and validate its efficacy. Specifically, we intend to compare the VSC concentrations obtained from halitosis patients' breath samples using Kunkun dental against those from conventional GC-MS to assess the criterion validity of the new testing method. The study cohort comprised 68 halitosis patients aged 20 years or older, attending the breath freshening outpatient clinic at Tokyo Medical and Dental University Hospital between October 2022 and March 2023, who consented to participate and underwent routine measurements. Participants completed an age and sex questionnaire, while VSC concentrations were determined using both GC-MS and Kunkun dental (H2S, CH3SH, (CH3)2S), enabling a comparative analysis of the results. Pearson product-moment correlation coefficients between GC-MS and Kunkun dental indicated significant correlations for all three gases: 0.719 for H2S, 0.821 for CH3SH, and 0.637 for (CH3)2S. Moreover, sensitivity and specificity in accordance with the predefined thresholds were confirmed, and their values ranged from 0.59 to 0.86 and 0.53-0.77, respectively. Furthermore, grouping Kunkun dental measurements into low-, medium-, and high-concentration groups revealed significantly higher GC-MS VSC concentrations in samples with elevated Kunkun dental readings. The amalgamation of AI technology and a semiconductor gas sensor holds great promise in creating a compact and precise halitosis analyzer. This study underscores the feasibility and effectiveness of Kunkun dental as a reliable tool for halitosis assessment, affirming its utility in clinical practice.

口臭是一个重大的全球健康问题,由于口臭的高流行率和相关的社会和心理影响,有必要发展精确和有效的检测方法。挥发性硫化合物(VSCs)被认为是口臭的主要原因,其测量尤为重要。虽然气相色谱(GC-MS)提供了准确的测量,但其笨重和昂贵的性质限制了广泛的可及性。因此,本研究试图设计一种紧凑而高精度的人工智能口臭测量仪,并验证其有效性。具体而言,我们打算比较使用昆昆牙科和传统气相色谱-质谱法从口臭患者呼吸样本中获得的VSC浓度,以评估新测试方法的标准有效性。该研究队列包括68名20岁或以上的口臭患者,他们在2022年10月至2023年3月期间在东京医科和牙科大学医院的口气清新门诊就诊,他们同意参与并接受了常规测量。参与者完成了年龄和性别问卷,同时使用GC-MS和Kunkun dental (H2S, CH3SH, (CH3)2S)测定VSC浓度,以便对结果进行比较分析。GC-MS与昆昆牙科的Pearson积矩相关系数表明,三种气体的相关性均显著:H2S为0.719,CH3 SH为0.821,(CH3)2S为0.637。根据预先设定的阈值确定敏感性和特异性,其值分别为0.59 ~ 0.86和0.53 ~ 0.77。此外,将昆昆牙测量值分为低、中、高浓度组,结果显示,昆昆牙测量值升高的样品中GC-MS VSC浓度显著升高。人工智能技术和半导体气体传感器的合并在创造一个紧凑和精确的口臭分析仪具有很大的希望。本研究强调了“昆昆牙科”作为口臭评估可靠工具的可行性和有效性,肯定了其在临床实践中的实用性。
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Journal of breath research
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