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

и другие.

Journal of Analytical Atomic Spectrometry, Год журнала: 2023, Номер 38(12), С. 2691 - 2702

Опубликована: Янв. 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.

Язык: Английский

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

и другие.

Communications Medicine, Год журнала: 2024, Номер 4(1)

Опубликована: Дек. 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

Язык: Английский

Процитировано

2

Physio-Metabolic Monitoring via Breath Employing Real-Time Mass Spectrometry: Importance, Challenges, Potentials, and Pitfalls DOI
Pritam Sukul, Phillip Trefz

Bioanalytical reviews, Год журнала: 2022, Номер unknown, С. 1 - 18

Опубликована: Янв. 1, 2022

Язык: Английский

Процитировано

6

Effects of contagious respiratory infections on breath biomarkers DOI Creative Commons

Nele Kemnitz,

Patricia Fuchs,

Rasmus Remy

и другие.

Research Square (Research Square), Год журнала: 2023, Номер unknown

Опубликована: Май 2, 2023

Abstract Background 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 infections. In recent years, metabolic profiling of most frequent respiratory infection gained interest as it holds potential for early non-invasive detection pathogens monitoring disease progression therapy. Methods contrast previous studies with pre-selected patient groups, we conducted a mass-spectrometry based breath in hundreds consecutive subjects under an actual screening scenario. Recruited were grouped further comparisons, multiplex-PCR confirmed (infected by common pathogen(s) healthy) presence or absence flu like symptoms. Results Amongst recruitments, obtained 256 healthy cases 223 infected/coinfected (171 mono-infections, 52 coinfections) Haemophilus influenza , Streptococcus pneumoniae Rhinovirus. We observed multiple effects these mono-infections co-infections onto VOC profiles variations, especially endogenous ketone, short-chain fatty acid, organosulfur, aldehyde terpene concentrations. Based VOCs origins, encountered changes patient’s energy metabolism, systemic microbial immune homeostasis, inflammation, oxidative stress antioxidative defense. Presence bacterial depicted more complex cross-talk – likely due own metabolism. Conclusion Alike our reports COVID-19 line other multi-omics clinical microbiological reports, results offered unique insight into infections, pathogenesis, ‘ host-microbiome-pathogen ’ interactions. Breathomics ‘monitoring’ coinfections.

Язык: Английский

Процитировано

1

Photoacoustic Trace-Analysis of Breath Isoprene and Acetone Via Interband- and Quantum Cascade Lasers DOI

Jonas Pangerl,

Pritam Sukul, Thomas Rück

и другие.

Опубликована: Янв. 1, 2024

This research presents two laser-based photoacoustic approaches for analyzing exhaled breath isoprene and acetone. The integration of a PTR-ToF-MS as reference device ensured the reliability accuracy PAS systems that is based on an ICL QCL acetone detection. calibration yielded limits detection 26.9 ppbV 1.7 ppbV, respectively, corresponding normalized noise equivalent absorption coefficients (NNEAs) 5.0E-9 Wcm-1Hz-0.5 4.9E-9 Wcm-1Hz-0.5. Laboratory well real sample measurements from alveolar revealed robust system performance, with only one outlier within static measurements. However, discrepancies emerged under dynamic sampling conditions, emphasizing need further optimization. Especially by knowing nature endogenous origin our findings highlight potential analysis non-invasive physio-metabolic pathophysiological monitoring towards point-of-care devices.

Язык: Английский

Процитировано

0

Photoacoustic Trace-Analysis of Breath Isoprene and Acetone via Interband- and Quantum Cascade Lasers DOI Creative Commons

Jonas Pangerl,

Pritam Sukul, Thomas Rück

и другие.

Sensors and Actuators B Chemical, Год журнала: 2024, Номер 424, С. 136886 - 136886

Опубликована: Ноя. 6, 2024

Язык: Английский

Процитировано

0

Effect of Spirulina Nigrita® on Exercise-Induced Oxidative Stress in Humans: A Breath Analysis Study DOI Creative Commons

Anastasios Krokidas,

K. Mikedi,

Athanasios G. Gakis

и другие.

Applied Sciences, Год журнала: 2024, Номер 14(24), С. 11501 - 11501

Опубликована: Дек. 10, 2024

In the current work, non-invasive approach of breath analysis is implemented for first time in an eccentric exercise protocol that investigated effect spirulina supplementation on exercise-induced oxidative stress. We assessed whether volatile alkanes exhaled can serve as alternative biomarkers A randomized, double-blinded, placebo-controlled, crossover study was carried out enrolling 14 participants. The volunteers consumed 42 mg·kg−1 body weight either Spirulina Nigrita® or maltodextrin, a placebo, daily 15 days. Afterward, they followed damaging upper limbs. Expired samples were collected from them just before (baseline measurement), prior to exercise, and 1 h, 24 48 72 h after exercise. analyzed by Gas Chromatography/Mass Spectrometry (GC-MS) coupled with thermal desorption unit (TDU) determine alveolar gradient (AG) several alkanes, C5–C14, are known be related Apart analysis, TBARSs also determined crude marker lipid peroxidation. Two-way repeated measures ANOVA tests applied alkanes’ AGs between (SPI) placebo (PL) groups across time. PL group, trend increasing almost all immediately gradual return pre-exercise levels up later revealed. statistically significant observed 2-methylhexane, 3-methylhexane, heptane, octane, undecane. administration appeared reduce increases attenuation 2-methylpentane 2-methylhexane. An examination confirmed reduced SPI group due changes peroxidation, while positive correlation iAUC 2-methylhexane 3-methylhexane conclusion, may attractive assessing redox compared traditional blood biomarkers.

Язык: Английский

Процитировано

0

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

и другие.

Research Square (Research Square), Год журнала: 2023, Номер unknown

Опубликована: Апрель 26, 2023

Abstract Isoprene is amongst the most abundant volatile metabolites produced by plants and animals. Human exhaled isoprene related to various pathophysiology but origin was yet uncertain. Among 2000 individuals screened within consecutive mass-spectrometric studies, five healthy adults without breath were identified. Whole exome sequencing in these revealed a shared homozygous (< 1% prevalent) IDI2 stop-gain mutation preventing conversion of isopentenyl diphosphate dimethylallyl (DMAPP) cholesterol metabolism. Targeted depicted that variant heterozygous deficient blood-relatives absent unrelated normal adults. Wildtype IDI1 metabolism serological parameters everyone. determines production as DMAPP only source unlike plants, humans lack synthase its homologue. expressed skeletal-myocyte peroxisomes instant spikes exhalation during muscle activity confirm from muscular lipolytic Well-defined endogenous translated clinically interpretable biomarker.

Язык: Английский

Процитировано

0

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

и другие.

Journal of Analytical Atomic Spectrometry, Год журнала: 2023, Номер 38(12), С. 2691 - 2702

Опубликована: Янв. 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.

Язык: Английский

Процитировано

0