2026-10-12T15:24:13Z https://api.figshare.com/v2/oai

oai:figshare.com:article/34024042 2026-09-29T13:34:49Z category_146 category_7 category_15 category_16 category_873 category_45 category_734 category_811 category_64 portal_63 item_type_6 month_year_09_2026

CO₂‑Gated End-Tidal Breathomics Maps Gastrointestinal Malignant Risk Yuerun Huang (19755436) Zhiheng Yu (2433805) Wenshan Wang (12316223) Yongyan Ji (16504457) Yichen Zhang (473963) Shanshan Dong (217931) Xiang Li (114679) Space Science Medicine Neuroscience Physiology Chemical Sciences not elsewhere classified Sociology Biological Sciences not elsewhere classified Mathematical Sciences not elsewhere classified Cancer volatile metabolic remodeling potential mechanistic relevance multistage risk modeling including healthy controls chemical structure enrichment cell transcriptomic mapping average waiting time using breath profiles derived breath signals representative voc markers gastrointestinal malignancy risk early gastrointestinal abnormalities associated voc signals tidal breathomics platform malignant cases could tidal breath sampler quantified 73 vocs 78 – 0 noninvasive disease monitoring 2 </ sub breath collection voc profiling gastrointestinal diseases tidal collection malignant states diluting disease noninvasive diagnosis noninvasive assessment visualization framework study establishes space air reproducibly identified reproducible quantification reflect alterations readily mixes partial pressure oxidative stress nominated propanal interpretable visualization inflammatory responses gastric cancer framework revealed dynamic changes concept pre colorectal cancer cellular metabolism butyric acid analytical framework airway dead 94 ), Human breath volatile organic compounds (VOCs) reflect alterations in cellular metabolism, inflammatory responses and oxidative stress, providing potential molecular readouts for noninvasive disease monitoring. However, conventional breath sampling commonly relies on whole-breath collection, which readily mixes with oral and upper-airway dead-space air, diluting disease-associated VOC signals that originate from alveolar exchange and limiting its application in noninvasive diagnosis. To address this limitation, we developed a CO₂-gated intelligent end-tidal breath sampler (iEBS) based on dynamic changes in end-tidal CO₂ partial pressure and coupled it with TD-GC-MS/MS to establish an end-tidal breathomics platform for VOC profiling. Using breath profiles from 273 participants, including healthy controls and individuals with gastritis, polyps, gastric cancer and colorectal cancer, we reproducibly identified and quantified 73 VOCs. By integrating topological data analysis, multistage risk modeling, chemical structure enrichment and single-cell transcriptomic mapping, we constructed a visualization framework for gastrointestinal malignancy risk. This framework revealed a gradient of volatile metabolic remodeling from early gastrointestinal abnormalities to malignant states and nominated propanal, butyric acid and 1-butanol as representative VOC markers with potential mechanistic relevance. The multistage risk model achieved stable disease stratification performance (AUC = 0.78–0.94), and a proof-of-concept pre-endoscopic triage simulation estimated that the average waiting time for malignant cases could be reduced by 20%. Overall, this study establishes an iEBS-based breath VOC profiling approach for phase-controlled end-tidal collection, reproducible quantification and interpretable visualization of alveolar-derived breath signals, providing an analytical framework for the noninvasive assessment of gastrointestinal diseases. 2026-09-29T00:00:00Z Text Journal contribution 10.1021/acs.analchem.6c04424.s001 https://figshare.com/articles/journal_contribution/CO_sub_2_sub_Gated_End-Tidal_Breathomics_Maps_Gastrointestinal_Malignant_Risk/34024042 CC BY-NC 4.0