Multiscale modeling of VOC–graphene nanostructure interactions: designing new sorbents for portable mass spectrometric applications DOI
Stevan Armaković, Milena Aleksić, Stamatios Giannoukos

et al.

Journal of Analytical Atomic Spectrometry, Journal Year: 2023, Volume and Issue: 38(12), P. 2691 - 2702

Published: Jan. 1, 2023

In this study, we conducted an extensive computational investigation using various theoretical approaches to elucidate the molecular-level interactions between ten representative volatile organic compounds and functionalized graphene nanosheets.

Language: Английский

Origin of breath isoprene in humans is revealed via multi-omic investigations DOI Creative Commons
Pritam Sukul, Anna Richter, Christian Junghanß

et al.

Communications Biology, Journal Year: 2023, Volume and Issue: 6(1)

Published: Sept. 30, 2023

Plants, animals and humans metabolically produce volatile isoprene (C5H8). Humans continuously exhale exhaled concentrations differ under various physio-metabolic pathophysiological conditions. Yet unknown metabolic origin hinders to reach clinical practice as a biomarker. Screening 2000 individuals from consecutive mass-spectrometric studies, we herein identify five healthy German adults without isoprene. Whole exome sequencing in these reveals only one shared homozygous (European prevalence: <1%) IDI2 stop-gain mutation, which causes losses of enzyme active site Mg2+-cofactor binding sites. Consequently, the conversion isopentenyl diphosphate dimethylallyl (DMAPP) part cholesterol metabolism is prevented adults. Targeted depicts that rs1044261 variant (p.Trp144Stop) heterozygous deficient blood-relatives absent unrelated normal Wild-type IDI1 related serological parameters are all determines production DMAPP sources unlike plants, lack synthase its homologue. Human expressed skeletal-myocellular peroxisomes instant spikes exhalation during muscle activity underpins muscular lipolytic metabolism. Our findings translate clinically interpretable breath biomarker towards potential applications human medicine.

Language: Английский

Citations

28

Metabolic insights at the finish line: deciphering physiological changes in ultramarathon runners through breath VOC analysis DOI Creative Commons
Hsuan Chou,

Kayleigh Arthur,

Elen Shaw

et al.

Journal of Breath Research, Journal Year: 2024, Volume and Issue: 18(2), P. 026008 - 026008

Published: Jan. 30, 2024

Exhaustive exercise can induce unique physiological responses in the lungs and other parts of human body. The volatile organic compounds (VOCs) exhaled breath are ideal for studying effects exhaustive on due to proximity matrix respiratory tract. As VOCs originate from bloodstream, changes abundance should also indicate broader Currently, there is limited published data VOCs. Breath has great potential biomarker analysis as it be collected non-invasively, capture real-time metabolic better understand exercise. In this study, we samples a small group elite runners participating 2019 Ultra-Trail du Mont Blanc ultra-marathon. final included matched paired before after race 24 subjects. All 48 were analyzed using Biopsy Platform with GC-Orbitrap™ via thermal desorption gas chromatography-mass spectrometry. Wilcoxon signed-rank test was used determine whether VOC abundances differed between pre- post-race (adjusted

Language: Английский

Citations

8

An inexpensive UV-LED photoacoustic based real-time sensor-system detecting exhaled trace-acetone DOI Creative Commons

Jonas Pangerl,

Pritam Sukul, Thomas Rück

et al.

Photoacoustics, Journal Year: 2024, Volume and Issue: 38, P. 100604 - 100604

Published: March 22, 2024

In this research we present a low-cost system for breath acetone analysis based on UV-LED photoacoustic spectroscopy. We considered the end-tidal phase of exhalation, which represents systemic concentrations volatile organic compounds (VOCs) – providing clinically relevant information about human health. This is achieved via development CO2-triggered sampling system, collected alveolar over several minutes in sterile and inert containers. A real-time mass spectrometer coupled to serve as reference device calibration measurements subsequent analysis. The new sensor provided 3σ detection limit 8.3 ppbV an NNEA 1.4E-9 Wcm−1Hz−0.5. terms performed measurements, 12 out 13 fell within error margin measurement demonstrating reliability field.

Language: Английский

Citations

6

High-quality identification of volatile organic compounds (VOCs) originating from breath DOI Creative Commons
Wisenave Arulvasan, Hsuan Chou,

Julia Greenwood

et al.

Metabolomics, Journal Year: 2024, Volume and Issue: 20(5)

Published: Sept. 6, 2024

Language: Английский

Citations

6

Reliability of Exhaled Acetone and Isoprene in Healthy Active Adult Responses to Sub-maximal Treadmill Exercise: A Pilot Study DOI Creative Commons
Leo R. Bell, Mark A. Myers, Jack Harvey

et al.

Journal of Science in Sport and Exercise, Journal Year: 2025, Volume and Issue: unknown

Published: April 8, 2025

Language: Английский

Citations

0

Effects of Contagious Respiratory Pathogens on Breath Biomarkers DOI Creative Commons

Nele Kemnitz,

Patricia Fuchs,

Rasmus Remy

et al.

Antioxidants, Journal Year: 2024, Volume and Issue: 13(2), P. 172 - 172

Published: Jan. 29, 2024

Due to their immediate exhalation after generation at the cellular/microbiome levels, exhaled volatile organic compounds (VOCs) may provide real-time information on pathophysiological mechanisms and host response infection. In recent years, metabolic profiling of most frequent respiratory infections has gained interest as it holds potential for early, non-invasive detection pathogens monitoring disease progression therapy. Using previously unpublished data, randomly selected individuals from a COVID-19 test center were included in study. Based multiplex PCR results (non-SARS-CoV-2 pathogens), breath profiles 479 subjects with presence or absence flu-like symptoms obtained using proton-transfer-reaction time-of-flight mass spectrometry. Among 223 individuals, one pathogen was detected 171 cases, more than 52 cases. A total 256 had negative no symptoms. The VOC affected by Haemophilus influenzae, Streptococcus pneumoniae, Rhinovirus. endogenous ketone, short-chain fatty acid, organosulfur, aldehyde, terpene concentrations changed, but only few exhibited concentration changes above inter-individual physiological variations. origins, observed be attributed oxidative stress antioxidative defense, energy metabolism, systemic microbial immune homeostasis, inflammation. contrast previous studies pre-selected patient groups, this study demonstrate broad variations real-life screening conditions. As unique infection markers exist, clearly mentioned can regarded indicative colonization.

Language: Английский

Citations

3

Mixed Potential Type Isoprene Sensor for the Application in Real-Time Monitoring of Biomarker Gases DOI
Jiang Li,

Qiule Li,

Siyuan Lv

et al.

ACS Sensors, Journal Year: 2024, Volume and Issue: 9(3), P. 1575 - 1583

Published: March 14, 2024

Monitoring of isoprene in exhaled breath is expected to provide a noninvasive and painless method for dynamic monitoring physiological metabolic states during exercise. However, real-time portable detection isoprene, gas sensors have become the best choice technology, which are crucial achieving goal anytime, anywhere, human-centered healthcare future. Here, we first report mixed potential type sensor based on Gd2Zr2O7 solid electrolyte CdSb2O6 sensing electrode, enables sensitive with sensitivities −21.2 mV/ppm −65.8 mV/decade range 0.05–1 1–100 ppm. The behavior follows mechanism was further verified by electrochemical polarization curves. significant differentiation between response healthy individuals simulated containing different concentrations demonstrates breath. Simultaneously, exercise signifies feasibility indicators, not only great significance optimizing training guiding therapeutic intervention sporting scenarios but also help reveal interaction exercise, muscle, organ metabolism medicine.

Language: Английский

Citations

3

Food and lifestyle impact on breath VOCs using portable mass spectrometer—pilot study across European countries DOI
Milena Aleksić, Andrea Simeon, Đorđe Vujić

et al.

Journal of Breath Research, Journal Year: 2023, Volume and Issue: 17(4), P. 046004 - 046004

Published: July 19, 2023

In the modern world, many people are changing old dietary and lifestyle habits to improve quality of their living-to treat or just prevent possible diseases. The main goal this pilot study was assess food impact on exhaled breath volatile organic compounds (VOCs) in various population groups. It done by employing a recently validated portable membrane-inlet mass spectrometer-MIMS. Thus, obtained results would also represent additional confirmation for employment new instrument analysis. involved 151 participants across Europe, including with overweight, obesity, type 2 diabetes mellitus, cardiovascular disease, poor-quality diet professional athletes. Exhaled acetone, ethanol, isoprene, n-pentane levels were determined samples before meal, 120 min after meal. Obtained basal ppbvvalues mainly accordance previously reported, which confirms that MIMS can be used Combining quantified along information about participants' collected via questionnaire, an assessment obtained. Notable alteration examined VOC upon meal consumption detected more than 70% all participants, exception affected half participants. Lifestyle parameters using statistical analysis variance (ANOVA) ranks test. Statistically significant differences observed among Also, ethanol significantly differed different ages, as well acetone physical activity habits. These findings promising further, focused research technique

Language: Английский

Citations

7

Breath analysis combined with cardiopulmonary exercise testing and echocardiography for monitoring heart failure patients: the AEOLUS protocol DOI Creative Commons
Denise Biagini, Nicola Riccardo Pugliese, Federico Maria Vivaldi

et al.

Journal of Breath Research, Journal Year: 2023, Volume and Issue: 17(4), P. 046006 - 046006

Published: July 31, 2023

This paper describes the AEOLUS pilot study which combines breath analysis with cardiopulmonary exercise testing (CPET) and an echocardiographic examination for monitoring heart failure (HF) patients. Ten consecutive patients a prior clinical diagnosis of HF reduced left ventricular ejection fraction were prospectively enrolled together 15 control cardiovascular risk factors, including hypertension, type II diabetes or chronic ischemic disease. Breath samples collected at rest during CPET coupled stress echocardiography (CPET-ESE) protocol by means needle trap micro-extraction analyzed through gas-chromatography mass spectrometry. The also involved using selected ion flow tube spectrometer breath-by-breath isoprene acetone exercise. At rest, showed increased levels pentane, are related to altered oxidation fatty acids oxidative stress, respectively. A significant positive correlation was observed between gold standard biomarker NT-proBNP in plasma (r= 0.646,p< 0.001), both measured rest. During exercise, some exhaled volatiles (e.g., isoprene) mirrored ventilatory and/or hemodynamic adaptation, whereas others sulfide compounds 3-hydroxy-2-butanone) depended on their origin. peak effort, differed significantly from those group, suggesting myocardial systemic metabolic adaptation These preliminary data suggest that concomitant acquisition CPET-ESE is feasible might provide additional information maladaptation Such may refine identification higher disease worsening.

Language: Английский

Citations

6

Exhaled breath metabolites reveal postmenopausal gut-bone cross-talk and non-invasive markers for osteoporosis DOI Creative Commons
Pritam Sukul,

Dagmar-Christiane Fischer,

Celine Broderius

et al.

Communications Medicine, Journal Year: 2024, Volume and Issue: 4(1)

Published: Dec. 28, 2024

Menopause driven decline in estrogen exposes women to risk of osteoporosis. Detection early onset and silent progression are keys prevent fractures associated burdens. In a discovery cohort 120 postmenopausal women, we combined repeated quantitative pulse-echo ultrasonography bone, assessment grip strength serum bone markers with mass-spectrometric analysis exhaled metabolites find breath volatile cutoff levels for Obtained cutoffs were validated an independent 49 age-matched six months apart seasonal follow-ups. Here, within the cohort, concentrations end-tidal dimethyl sulfide (DMS), allyl-methyl sulfide, butanethiol butyric acid increased (p ≤ 0.005) pronouncedly subjects mineral density (BMD) at high-risk osteoporosis fracture, when compared normal BMD. Increased age decreased concomitant. All changes reproduced during validation Exhaled metabolite expressions remain independent. Serum show random without reproducibility. DMS exhalations differs between patients recent, old fractures. Metabolite BMDs down-regulated winter. ROC yields high classification accuracy osteoporosis, which predicts >91% sensitivity specificity. Non-invasive allowed more reliable than conventional markers. We identified associations organosulfur short-chain fatty acids metabolism via gut-bone axis. It is estimated globally that one-third aged >50 years experience (breaks their bones) from (bone weakening brittleness). difficult diagnose this condition makes it hard put place measures help investigate links organic chemicals detectable breath, blood (tested by measuring strength). discover coming gut strongly health. Our non-invasive faster standard currently used diagnosing identifies connection bones not previously shown. These findings offer easier paths towards new therapeutic targets. Sukul et al. analyze endogenous indicative The serves as rapid includes

Language: Английский

Citations

2