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Keywords = thermal desorption–gas chromatography/mass spectrometry (TD–GC/MS)

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15 pages, 961 KiB  
Article
Analysis of Chemical Composition and Odor Characteristics in Particleboards Decorated by Resin-Impregnated Paper, Polypropylene Film and Polyvinyl Chloride Film
by Liming Zhu, Minghui Yang, Lina Tang, Qian Chen, Xiaorui Liu, Xianwu Zou, Yuejin Fu and Bo Liu
Polymers 2025, 17(15), 2145; https://doi.org/10.3390/polym17152145 - 5 Aug 2025
Abstract
Analysis of changes in TVOC and VOCs chemical composition or odor characteristics of particleboard before and after decoration treatment with resin-impregnated paper (RIP), polypropylene (PP) film and polyvinyl chloride (PVC) film were studied. The effects of these three decoration treatments on masking or [...] Read more.
Analysis of changes in TVOC and VOCs chemical composition or odor characteristics of particleboard before and after decoration treatment with resin-impregnated paper (RIP), polypropylene (PP) film and polyvinyl chloride (PVC) film were studied. The effects of these three decoration treatments on masking or suppressing the release of VOCs and odorants from particleboard were explored. The substances that were covered or suppressed and newly introduced before and after processing were identified to provide a basis for reducing the odor emissions of PVC-, PP- and RIP-decorated particleboard. Taking undecorated particleboard and particleboard treated by three types of decorative materials as research subjects, the air permeability of the three decorative materials was tested using the Gurley Permeability Tester. TVOC emissions from the boards were evaluated using the 1 m3 environmental chamber method. Qualitative and quantitative analyses of the samples were conducted via thermal desorption–gas chromatography–mass spectrometry (TD-GCMS). The contribution of odor substances was determined using odor activity value (OAV). The results indicated that the permeability from high to low was PVC film, PP film and RIP. Compared with undecorated particleboard, the TVOC emissions of PVC-decorated boards decreased by 93%, PP-decorated particleboard by 83% but the TVOC emissions of RIP-decorated particleboard increased by 67%. PP decoration treatment masked or suppressed the release of 20 odor substances but introduced xylene, which can increase potentially the health risks for PP-decorated particleboard. PVC decoration treatment masked or suppressed 19 odor substances, but it introduced 12 new compounds, resulting in an overall increase in TVOC emissions. RIP treatment did not introduce new odor substances. After PP film and RIP treatments, both the variety of VOCs released and the number of key odor-contributing compounds and modifying odorants decreased. In contrast, the number of modifying odorants and potential odorants increased after PVC treatment. VOC emissions were effectively masked or suppressed by three decoration treatments, same as the release of substances contributing to overall odor of particleboard was reduced. Among them, PP and RIP decorative materials demonstrate better effects. Full article
(This article belongs to the Special Issue Eco-Friendly Supramolecular Polymeric Materials, 2nd Edition)
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16 pages, 7177 KiB  
Article
Analysis of Volatile Organic Compounds from Compost
by Shastine K. Berger, Rosario C. Morales, Katherine A. McCown, Kylie C. Wilson, Bertram T. Jobson and Nancy A. C. Johnston
Atmosphere 2025, 16(5), 591; https://doi.org/10.3390/atmos16050591 - 14 May 2025
Cited by 1 | Viewed by 521
Abstract
Many US states have adopted regulations to divert food waste from landfills to composts. While this may lower greenhouse emissions from landfills, volatile organic compound (VOC) emissions from compost may contain hazardous air pollutants or produce odors, posing potential public health concerns. Effective [...] Read more.
Many US states have adopted regulations to divert food waste from landfills to composts. While this may lower greenhouse emissions from landfills, volatile organic compound (VOC) emissions from compost may contain hazardous air pollutants or produce odors, posing potential public health concerns. Effective methods to analyze speciated VOCs in compost are needed to better understand VOC source generation. Here, a two-component compost sampling method was developed and employed consisting of a chilled impinger and pump apparatus to trap water-soluble VOCs, and dual sorbent tubes to capture hydrophobic VOCs in yard and food/yard waste compost. VOCs were measured via headspace gas chromatography with flame ionization detection (HS-GC-FID) and thermal desorption–gas chromatography–mass spectrometry (TD-GC-MS). Overall, there was higher VOC generation within higher-temperature compost piles, with concentrations ranging up to 27,000 ppm for ethanol and 3500 ppm for methanol. Alpha-pinene and D-limonene were seen in these piles with concentrations over 1600 ppb. Methanol and ethanol were more than one thousand times as concentrated in mixed food/yard waste than yard waste alone, while terpenes were seen in slightly higher concentrations for yard waste than the mixed food/yard waste. Methanol was observed to be higher than permissible indoor levels and may pose potential health risks. Full article
(This article belongs to the Section Biosphere/Hydrosphere/Land–Atmosphere Interactions)
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15 pages, 3161 KiB  
Article
Characterisation of Cork Volatile Organic Compounds Using TD-GC-MS: Effects of Origin, Washing Process, and Thermal Processing of Cork Stoppers
by Patricia Jové, Raquel de Nadal, Maria Verdum and Núria Fiol
Processes 2025, 13(5), 1505; https://doi.org/10.3390/pr13051505 - 14 May 2025
Viewed by 434
Abstract
This study presents a green and solvent-free methodology based on thermal desorption coupled to gas chromatography-mass spectrometry (TD-GC-MS) to characterise cork’s volatile aromatic (VOC) profile. Samples from three geographical origins—Catalonia, Extremadura, and Sardinia—were analysed at different extraction temperatures. Cork stoppers from Sardinia were [...] Read more.
This study presents a green and solvent-free methodology based on thermal desorption coupled to gas chromatography-mass spectrometry (TD-GC-MS) to characterise cork’s volatile aromatic (VOC) profile. Samples from three geographical origins—Catalonia, Extremadura, and Sardinia—were analysed at different extraction temperatures. Cork stoppers from Sardinia were also analysed after two washing procedures (immersion and spray) and thermal treatment. The results showed that temperature and geographical origin significantly influenced the quantity and intensity of extracted VOCs, with higher extraction temperatures yielding a more comprehensive volatile profile. Vanillin was the most abundant compound in all samples. A multivariate analysis showed that cork from Extremadura was associated with carboxylic acids, Catalonia with furan derivatives and sugar-related compounds, and Sardinia with phenolic compounds linked to lignin degradation. Immersion-washed stoppers retained more lignin-derived and phenolic compounds, while spray-washed samples were characterised by a higher alkane content. Thermal treatment notably altered the VOC profile, increasing ketones such as acetophenone and 2-nonadecanone and reducing alkanes and fatty acids. These findings highlight the influence of the geographical origin and manufacturing process on the aromatic composition of cork, with potential applications in industries seeking natural active compounds. Full article
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16 pages, 652 KiB  
Article
Uncovering Non-Invasive Biomarkers in Paediatric Severe Acute Asthma Using Targeted Exhaled Breath Analysis
by Sarah van den Berg, Annabel S. Zaat, Isabel F. van der Poel, Yoni E. van Dijk, Simone Hashimoto, Niels W. P. Rutjes, Suzanne W. J. Terheggen-Largo, Bart E. van Ewijk, Claudia Gagliani, Fleur L. Sondaal, Job B. M. van Woensel, Anke-Hilse Maitland-van der Zee, Paul Brinkman, Susanne J. H. Vijverberg and Berber Kapitein
Metabolites 2025, 15(4), 247; https://doi.org/10.3390/metabo15040247 - 3 Apr 2025
Viewed by 825
Abstract
Background: Severe acute asthma (SAA) in children can be life-threatening. There has been a significant rise in paediatric intensive care unit (PICU) admissions due to SAA over the past two decades. While asthma is a heterogeneous disease, its underlying pathophysiological pathways remain underexplored. [...] Read more.
Background: Severe acute asthma (SAA) in children can be life-threatening. There has been a significant rise in paediatric intensive care unit (PICU) admissions due to SAA over the past two decades. While asthma is a heterogeneous disease, its underlying pathophysiological pathways remain underexplored. This study aimed to assess the value of non-invasive targeted exhaled breath metabolomics analysis to better characterise SAA. Methods: Breath samples from 17 children admitted to the PICU with SAA (cases) and 27 children with controlled severe asthma (controls) were analysed using thermal desorption gas chromatography–mass spectrometry (TD-GC-MS). Results: A targeted volatile organic compound (VOC) analysis identified 25 compounds, of which 16 were shared between groups. Four VOCs were significantly more often present in SAA, and nine VOCs exhibited higher concentrations in SAA. Longitudinal analysis of VOCs from follow-up samples of 10 cases showed no significant temporal differences, reinforcing the reproducibility of identified biomarkers. Conclusions: This study exemplifies the potential of exhaled breath analysis to provide insights into the molecular background of SAA. Breath metabolomics may enable early recognition of severe asthma attacks and preventive therapeutic interventions in children with severe asthma. Full article
(This article belongs to the Special Issue Mass Spectrometry-Based Technology for Metabolic Profiling)
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20 pages, 6530 KiB  
Article
Electron Beam Irradiation Modified UiO-66 Supported Pt Catalysts for Low-Temperature Ethyl Acetate Catalytic Degradation
by Jiani Chen, Yanxuan Wang, Jianghua Huang, Shuting Ma, Yiyang Zhang, Fukun Bi and Xiaodong Zhang
Catalysts 2025, 15(3), 220; https://doi.org/10.3390/catal15030220 - 26 Feb 2025
Cited by 10 | Viewed by 845
Abstract
Nowadays, volatile organic compounds (VOCs) increasingly jeopardize ecosystem sustainability and human well-being. In this study, UiO-66 and its different electron beam (EB) irradiation doses (100, 300, 500 kGy) modified materials supported Pt catalysts, Pt/UiO-66 and Pt/UiO-66-X (X = 100, 300, and 500, representing [...] Read more.
Nowadays, volatile organic compounds (VOCs) increasingly jeopardize ecosystem sustainability and human well-being. In this study, UiO-66 and its different electron beam (EB) irradiation doses (100, 300, 500 kGy) modified materials supported Pt catalysts, Pt/UiO-66 and Pt/UiO-66-X (X = 100, 300, and 500, representing the irradiation doses), were synthesized, and a series of characterizations were conducted on the samples. On this basis, the effectiveness of these catalysts was evaluated through the degradation of ethyl acetate. The study findings indicated that the sample irradiated at 100 kGy demonstrated superior catalytic performance. Thereafter, extensive tests with regard to water resistance, stability, and cycle performance indicated that the Pt/UiO-66-100 catalyst was characterized by satisfactory reusability and catalytic stability, even when faced with high heat and humidity. Further work with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and thermal desorption–gas chromatography–mass spectrometry (TD-GC–MS) uncovered the process of degradation of ethyl acetate. This research provides a guideline for the design of high-performance VOC degradation catalysts through EB modification. Full article
(This article belongs to the Special Issue Insight into Catalysis for Air Pollution Control)
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12 pages, 3318 KiB  
Article
Carbon Fiber Recycling from Waste CFRPs via Microwave Pyrolysis: Gas Emissions Monitoring and Mechanical Properties of Recovered Carbon Fiber
by Kai-Yen Chin, Angus Shiue, Jhu-Lin You, Yi-Jing Wu, Kai-Yi Cheng, Shu-Mei Chang, Yeou-Fong Li, Chao-Heng Tseng and Graham Leggett
Fibers 2024, 12(12), 106; https://doi.org/10.3390/fib12120106 - 5 Dec 2024
Cited by 1 | Viewed by 2854
Abstract
Disposing of carbon fiber-reinforced polymers (CFRPs) has become a pressing issue due to their increasing application across various industries. Previous work has focused on removing silane coupling agent residues on recovered carbon fibers via microwave pyrolysis, making them suitable for use in new [...] Read more.
Disposing of carbon fiber-reinforced polymers (CFRPs) has become a pressing issue due to their increasing application across various industries. Previous work has focused on removing silane coupling agent residues on recovered carbon fibers via microwave pyrolysis, making them suitable for use in new materials. However, the mechanical performance and structural characteristics of these fibers have not been fully reported. This study investigates the time–temperature curves of CFRPs treated through microwave pyrolysis and analyzes the mechanical and structural properties of silane-controllable recovered carbon fibers. Additionally, emissions—including carbon monoxide, carbon dioxide, and particulate aerosols—were measured using handheld monitors and thermal desorption–gas chromatography/mass spectrometry to determine the composition of fugitive gases around the microwave pyrolysis system. The pyrolysis process at 950 °C, with an additional 1 h holding time, reduced the crystallite size from 0.297 Å to 0.222 Å, significantly enhancing tensile strength (3804 ± 713 MPa) and tensile modulus (200 ± 13 GPa). This study contributes to more sustainable CFRP waste treatment and highlights the potential for reusing high-quality carbon fibers in new applications, enhancing both environmental and worker safety. Full article
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13 pages, 3896 KiB  
Article
Enhancing Permanence of Corrosion Inhibitors Within Acrylic Protective Coatings for Outdoor Bronze Using Green Nanocontainers
by Giulia Pellis, Fabrizio Caldera, Francesco Trotta, Thais Biazioli de Oliveira, Paola Rizzi, Tommaso Poli and Dominique Scalarone
Molecules 2024, 29(23), 5702; https://doi.org/10.3390/molecules29235702 - 3 Dec 2024
Viewed by 1041
Abstract
Outdoor bronze statues are constantly exposed to weather conditions and reactive compounds in the atmosphere that can interact with their surfaces. To avoid these interactions, a commonly used method is the application of coatings with corrosion inhibitors. However, a significant limitation of these [...] Read more.
Outdoor bronze statues are constantly exposed to weather conditions and reactive compounds in the atmosphere that can interact with their surfaces. To avoid these interactions, a commonly used method is the application of coatings with corrosion inhibitors. However, a significant limitation of these inhibitors is their gradual loss over time. In this study, we aimed to improve the durability of 5-ethyl-1,3,4-thiadiazol-2-amine (AEDTA), the inhibitor chosen to formulate new acrylic coatings for outdoor bronzes. Methyl-β-cyclodextrin (Me-β-CD) was selected to host the inhibitor due to the capability of cyclodextrins to form complexes incorporating small organic molecules. The complexes of Me-β-CD and AEDTA were prepared and the inclusion of AEDTA was proved by Fourier-transform infrared spectroscopy, X-ray diffraction and nuclear magnetic resonance spectroscopy. Then, acrylic coatings were prepared at different concentrations of the Me-β-CD/AEDTA system. They were thermally aged and monitored every 24 h. To evaluate the volatilization of the corrosion inhibitor, solid phase microextraction-gas chromatography/mass spectrometry (SPME-GC/MS) and thermal desorption-GC/MS (TD-GC/MS) analyses were performed during the first 72 h. The results were compared to those of pure AEDTA films and Incralac®. The outcomes showed that Me-β-CD/AEDTA complexes are promising candidates for developing coatings with improved stability and longer retention of AEDTA. Full article
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20 pages, 2238 KiB  
Article
Detection and Validation of Organic Metabolites in Urine for Clear Cell Renal Cell Carcinoma Diagnosis
by Kiana L. Holbrook, George E. Quaye, Elizabeth Noriega Landa, Xiaogang Su, Qin Gao, Heinric Williams, Ryan Young, Sabur Badmos, Ahsan Habib, Angelica A. Chacon and Wen-Yee Lee
Metabolites 2024, 14(10), 546; https://doi.org/10.3390/metabo14100546 - 13 Oct 2024
Cited by 5 | Viewed by 1919
Abstract
Background: Clear cell renal cell carcinoma (ccRCC) comprises the majority, approximately 70–80%, of renal cancer cases and often remains asymptomatic until incidentally detected during unrelated abdominal imaging or at advanced stages. Currently, standardized screening tests for renal cancer are lacking, which presents challenges [...] Read more.
Background: Clear cell renal cell carcinoma (ccRCC) comprises the majority, approximately 70–80%, of renal cancer cases and often remains asymptomatic until incidentally detected during unrelated abdominal imaging or at advanced stages. Currently, standardized screening tests for renal cancer are lacking, which presents challenges in disease management and improving patient outcomes. This study aimed to identify ccRCC-specific volatile organic compounds (VOCs) in the urine of ccRCC-positive patients and develop a urinary VOC-based diagnostic model. Methods: This study involved 233 pretreatment ccRCC patients and 43 healthy individuals. VOC analysis utilized stir-bar sorptive extraction coupled with thermal desorption gas chromatography/mass spectrometry (SBSE-TD-GC/MS). A ccRCC diagnostic model was established via logistic regression, trained on 163 ccRCC cases versus 31 controls, and validated with 70 ccRCC cases versus 12 controls, resulting in a ccRCC diagnostic model involving 24 VOC markers. Results: The findings demonstrated promising diagnostic efficacy, with an Area Under the Curve (AUC) of 0.94, 86% sensitivity, and 92% specificity. Conclusions: This study highlights the feasibility of using urine as a reliable biospecimen for identifying VOC biomarkers in ccRCC. While further validation in larger cohorts is necessary, this study’s capability to differentiate between ccRCC and control groups, despite sample size limitations, holds significant promise. Full article
(This article belongs to the Special Issue Emerging Applications of Urinary Metabolomics in Cancer)
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17 pages, 5955 KiB  
Article
Effects of Wildfire Smoke on Volatile Organic Compound (VOC) and PM2.5 Composition in a United States Intermountain Western Valley and Estimation of Human Health Risk
by Damien T. Ketcherside, Dylan D. Miller, Dalynn R. Kenerson, Phillip S. Scott, John P. Andrew, Melanie A. Y. Bakker, Brandi A. Bundy, Brian K. Grimm, Jiahong Li, Laurel A. Nuñez, Dorian L. Pittman, Reece P. Uhlorn and Nancy A. C. Johnston
Atmosphere 2024, 15(10), 1172; https://doi.org/10.3390/atmos15101172 - 30 Sep 2024
Cited by 1 | Viewed by 2789
Abstract
With a warmer and drier climate, there has been an increase in wildfire events in the Northwest U.S., posing a potential health risk to downwind communities. The Lewis–Clark Valley (LCV), a small metropolitan area on the Washington/Idaho border in the United States Intermountain [...] Read more.
With a warmer and drier climate, there has been an increase in wildfire events in the Northwest U.S., posing a potential health risk to downwind communities. The Lewis–Clark Valley (LCV), a small metropolitan area on the Washington/Idaho border in the United States Intermountain West region, was studied over the time period of 2017–2018. The main objective was to determine the community’s exposure to particulate matter (PM2.5) and volatile organic compounds (VOCs) during wildfire smoke events and to estimate the associated health risk. VOCs were analyzed previously in the LCV using sorbent tube sampling and thermal-desorption gas-chromatography mass-spectrometry (TD-GC-MS) during several local smoke events in the 2017–2018 fire seasons. PM2.5 measurements were obtained from nearby agency monitors. PM2.5 reached up to 200 µg/m3 in 2017 and over 100 µg/m3 in 2018 in the LCV, and has been observed to be increasing at a rate of 0.10 µg m−3/yr over the past two decades. Benzene, a carcinogen and air toxic, was measured with concentrations up to 11 µg/m3, over ten times the normal level in some instances, in the LCV. The health risk in the LCV from benzene was calculated at seven extra cancers per million for lifetime exposure and thirteen extra cancers per million considering all air toxics measured. The other cities monitored showed similar lifetime cancer risk, due to benzene of about 6–7 extra cancers per million. This work is important, as it measures ground-level exposures of VOCs and demonstrates decreases in PM2.5 air quality over time in the region. Full article
(This article belongs to the Special Issue Outdoor Air Pollution and Human Health (3rd Edition))
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12 pages, 1239 KiB  
Article
Stimulated C2C12 Myotube Headspace Volatile Organic Compound Analysis
by Tomos G. Rosser, Matthew A. Turner, James C. Reynolds, Neil R. W. Martin and Martin R. Lindley
Molecules 2024, 29(19), 4527; https://doi.org/10.3390/molecules29194527 - 24 Sep 2024
Viewed by 1030
Abstract
Understanding exercise metabolism and the relationship with volatile organic compounds (VOCs) holds potential in both health care and sports performance. Exercise metabolism can be investigated using whole body exercise testing (in vivo) or through the culture and subsequent electrical pulse stimulation [...] Read more.
Understanding exercise metabolism and the relationship with volatile organic compounds (VOCs) holds potential in both health care and sports performance. Exercise metabolism can be investigated using whole body exercise testing (in vivo) or through the culture and subsequent electrical pulse stimulation (EPS) of myotubes (in vitro). This research investigates the novel headspace (HS) analysis of EPS skeletal muscle myotubes. An in vitro system was built to investigate the effect of EPS on the volatile constituents in the HS above EPS skeletal muscle. The C2C12 immortalised cell line was chosen. EPS was applied to the system to induce myotube contraction. The in vitro system was applied to the analysis of VOCs using thermal desorption (TD) sampling. Samples were collected under four conditions: environmental samples (enviro), acellular media HS samples (blank), skeletal muscle myotubes without stimulation HS samples (baseline) and EPS of skeletal muscle myotube HS samples (stim). TD sampling combined with gas-chromatography mass spectrometry (GC-MS) detected two compounds that, after multivariate and univariate statistical analysis, were identified as changing due to EPS (p < 0.05). These compounds were tentatively assigned as 1,4-Dioxane-2,5-dione, 3,6-dimethyl- and 1-pentene. The former is a known lactide and the latter has been reported as a marker of oxidative stress. Further research should focus on improvements to the EPS system, including the use of more relevant cell lines, quantification of myotube contractions, and the application of targeted analysis, metabolic assays and media analysis. Full article
(This article belongs to the Section Flavours and Fragrances)
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20 pages, 2638 KiB  
Article
Green Analytical Method for Perfluorocarboxylic Acids (PFCAs) in Water of Stir Bar Sorptive Extraction Coupled with Thermal Desorption–Gas Chromatography—Mass Spectroscopy
by Ahsan Habib, Elizabeth Noriega Landa, Kiana L. Holbrook, Angelica A. Chacon and Wen-Yee Lee
Water 2024, 16(17), 2543; https://doi.org/10.3390/w16172543 - 8 Sep 2024
Cited by 5 | Viewed by 2196
Abstract
Perfluoroalkyl carboxylic acids (PFCAs) are a significant group of per- and polyfluoroalkyl substances (PFASs). They are persistent organic chemicals manufactured for their resistance to heat, water, and stains. PFCAs are ubiquitous in the environment, particularly in surface water and wastewater, because they are [...] Read more.
Perfluoroalkyl carboxylic acids (PFCAs) are a significant group of per- and polyfluoroalkyl substances (PFASs). They are persistent organic chemicals manufactured for their resistance to heat, water, and stains. PFCAs are ubiquitous in the environment, particularly in surface water and wastewater, because they are widely used in everyday consumer products. This contamination poses a risk to drinking water supplies and human health, necessitating sensitive and effective analytical methods. Traditional liquid chromatography–tandem mass spectrometry (LC-MS/MS) is commonly used but involves complex sample handling and high costs. In this study, we developed an enhanced stir bar sorptive extraction (SBSE) method coupled with thermal desorption–gas chromatography–mass spectrometry (TD-GC-MS) for the analysis of PFCAs in water. This method demonstrates linearity, with R2 values from 0.9892 to 0.9988, and low limits of detection (LOD) between 21.17 ng/L and 73.96 ng/L. Recovery rates varied from 47 to 97%, suggesting efficient extraction. Compared to traditional methods, the developed SBSE technique requires only a 1 mL sample volume and minimal amounts of solvents, enhancing eco-friendliness and reducing potential contamination and handling errors. This method also demonstrated good precision and robustness across various water matrices. Overall, the developed method offers a precise, eco-friendly, and reliable approach for analyzing PFCAs in diverse water samples. Full article
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16 pages, 2461 KiB  
Article
Characterization of the SPIRITAS: A Disposable Sampling Setup for Volatile Organic Compound Collection and Analysis
by David J. Mager, Yoni E. van Dijk, Özgü Varan, Susanne J. H. Vijverberg, Suzanne W. J. Terheggen-Lagro, Anke-Hilse Maitland-van der Zee, Hettie M. Janssens and Paul Brinkman
Separations 2024, 11(5), 150; https://doi.org/10.3390/separations11050150 - 14 May 2024
Cited by 3 | Viewed by 1680
Abstract
Analyzing exhaled breath for volatile organic compounds (VOCs) using thermal desorption–gas chromatography–mass spectrometry (TD-GC-MS) offers a non-invasive diagnostic approach for various diseases. Despite its promise, the method faces challenges like sampling heterogeneity and high costs. Following the European Respiratory Society’s advocacy for methodological [...] Read more.
Analyzing exhaled breath for volatile organic compounds (VOCs) using thermal desorption–gas chromatography–mass spectrometry (TD-GC-MS) offers a non-invasive diagnostic approach for various diseases. Despite its promise, the method faces challenges like sampling heterogeneity and high costs. Following the European Respiratory Society’s advocacy for methodological standardization, we developed the SPIRITAS (Standardized Product for Inexpensive Respiratory InvesTigation: A breath Sampler), a low-cost, disposable breath sampler. This study evaluates the SPIRITAS’s effectiveness in detecting targeted VOCs. We tested the SPIRITAS using the Peppermint Experiment, a standardized protocol that allows for comparison between different breath sampling and analytical practices by assessing the ability to detect five peppermint-specific VOCs after ingestion of a 200-milligram peppermint oil capsule. We included ten subjects and performed six breath samples per participant, including a baseline measurement taken before ingestion. We used the Wilcoxon signed-rank test to evaluate whether baseline values were significantly lower than the peak values of the targeted VOCs. Additionally, we conducted an experiment utilizing humidified medical-grade air to identify any VOCs attributable to the SPIRITAS setup itself. Results showed successful detection of four out of five targeted “peppermint-associated” VOCs: alpha-pinene (p ≤ 0.01), beta-pinene (p ≤ 0.01), menthone (p = 0.01), and menthol (p = 0.02), indicating significant differences between the baseline and peak values in the volunteers’ breath. However, detection of eucalyptol was inconsistent. In addition, we identified 16 VOCs that were released by the SPIRITAS, one of which remains unidentified. Our findings underscore the SPIRITAS’s potential for clinical applications, paving the way for broader biomarker research. The combination of ease of use, low cost, reduced risk of contamination, and standardization makes SPIRITAS very suitable for large-scale international studies. Furthermore, we have demonstrated the SPIRITAS’s effectiveness in detecting specific VOCs and identified 16 compounds originating from the SPIRITAS, ensuring that these compounds would not be mis-qualified as potential biomarkers in future clinical studies. Full article
(This article belongs to the Section Chromatographic Separations)
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20 pages, 9602 KiB  
Article
Impacts on Urban VOCs and PM2.5 during a Wildfire Episode
by Zhong-Min Wang, Ping Wang, Jeff Wagner and Kazukiyo Kumagai
Environments 2024, 11(4), 63; https://doi.org/10.3390/environments11040063 - 24 Mar 2024
Cited by 8 | Viewed by 4293
Abstract
This study focuses on the impact of wildfire smoke emissions on regional, urban air quality during a wildfire event. We measured volatile organic compounds (VOCs) and fine particulate matter (PM2.5) in the San Francisco Bay Area to assess air quality during [...] Read more.
This study focuses on the impact of wildfire smoke emissions on regional, urban air quality during a wildfire event. We measured volatile organic compounds (VOCs) and fine particulate matter (PM2.5) in the San Francisco Bay Area to assess air quality during a wildfire event and compared them to those in a later non-wildfire period. VOCs were collected using thermal desorption tubes and quantified using thermal desorption-gas chromatography/mass spectrometry (TD-GC/MS). Elevated concentrations of VOCs such as 1,3,5-trimethylbenzene (0.33 ± 0.01 µg/m3), benzene (1.03 ± 0.02 µg/m3), toluene (2.15 ± 0.04 µg/m3), ethylbenzene (0.60 ± 0.02 µg/m3), and m, p-xylene (0.77 ± 0.07 µg/m3) were observed in the wildfire event. Compared with that in the non-wildfire season, the toluene concentration during the wildfire period was more than three times the non-wildfire concentration. Similarly, the benzene concentration during the wildfire was almost four times higher, and that of p, m-xylene was three times higher. The higher wildfire levels were statistically significant for sec-butylbenzene, 1,2,4-trimethylbenzene, n-propylbenzene, o-xylene, styrene, 1,3,5-trimethylbenzene, benzene, toluene, ethylbenzene, and p,m-xylene (p < 0.00001). These higher VOC levels compared with those for the non-fire period may potentially pose a public health concern. Open face passive sampler (OFPS)-collected PM was analyzed using scanning electron microscopy/energy dispersive X-ray spectroscopy (SEM/EDS) and revealed organic carbon tar balls. The highest daily average beta-attenuation-monitored PM2.5 during the fire period was 200 µg/m3 and the highest hourly average was 270 µg/m3. Monitoring gas phase species in addition to PM concentrations is useful during wildfire season to inform public health guidance. Full article
(This article belongs to the Special Issue Air Pollution in Urban and Industrial Areas II)
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11 pages, 2134 KiB  
Article
Breath Analysis for Lung Cancer Early Detection—A Clinical Study
by Zhunan Jia, Velmurugan Thavasi, Thirumalai Venkatesan and Pyng Lee
Metabolites 2023, 13(12), 1197; https://doi.org/10.3390/metabo13121197 - 12 Dec 2023
Cited by 13 | Viewed by 3793
Abstract
This clinical study presents a comprehensive investigation into the utility of breath analysis as a non-invasive method for the early detection of lung cancer. The study enrolled 14 lung cancer patients, 14 non-lung cancer controls with diverse medical conditions, and 3 tuberculosis (TB) [...] Read more.
This clinical study presents a comprehensive investigation into the utility of breath analysis as a non-invasive method for the early detection of lung cancer. The study enrolled 14 lung cancer patients, 14 non-lung cancer controls with diverse medical conditions, and 3 tuberculosis (TB) patients for biomarker discovery. Matching criteria including age, gender, smoking history, and comorbidities were strictly followed to ensure reliable comparisons. A systematic breath sampling protocol utilizing a BIO-VOC sampler was employed, followed by VOC analysis using Thermal Desorption–Gas Chromatography–Mass Spectrometry (TD-GC/MS). The resulting VOC profiles were subjected to stringent statistical analysis, including Orthogonal Projections to Latent Structures—Discriminant Analysis (OPLS-DA), Kruskal–Wallis test, and Receiver Operating Characteristic (ROC) analysis. Notably, 13 VOCs exhibited statistically significant differences between lung cancer patients and controls. The combination of eight VOCs (hexanal, heptanal, octanal, benzaldehyde, undecane, phenylacetaldehyde, decanal, and benzoic acid) demonstrated substantial discriminatory power with an area under the curve (AUC) of 0.85, a sensitivity of 82%, and a specificity of 76% in the discovery set. Validation in an independent cohort yielded an AUC of 0.78, a sensitivity of 78%, and a specificity of 64%. Further analysis revealed that elevated aldehyde levels in lung cancer patients’ breath could be attributed to overactivated Alcohol Dehydrogenase (ADH) pathways in cancerous tissues. Addressing methodological challenges, this study employed a matching of physiological and pathological confounders, controlled room air samples, and standardized breath sampling techniques. Despite the limitations, this study’s findings emphasize the potential of breath analysis as a diagnostic tool for lung cancer and suggest its utility in differentiating tuberculosis from lung cancer. However, further research and validation are warranted for the translation of these findings into clinical practice. Full article
(This article belongs to the Section Endocrinology and Clinical Metabolic Research)
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19 pages, 1715 KiB  
Article
Unfolding of Lignin Structure Using Size-Exclusion Fractionation
by Audrey LaVallie, Anastasia A. Andrianova, Joshua Schumaker, Sarah Reagen, Shelly Lu, Irina P. Smoliakova, Evguenii I. Kozliak and Alena Kubátová
Polymers 2023, 15(19), 3956; https://doi.org/10.3390/polym15193956 - 30 Sep 2023
Cited by 5 | Viewed by 2001
Abstract
The heterogeneous and recalcitrant structure of lignin hinders its practical application. Here, we describe how new approaches to lignin characterization can reveal structural details that could ultimately lead to its more efficient utilization. A suite of methods, which enabled mass balance closure, the [...] Read more.
The heterogeneous and recalcitrant structure of lignin hinders its practical application. Here, we describe how new approaches to lignin characterization can reveal structural details that could ultimately lead to its more efficient utilization. A suite of methods, which enabled mass balance closure, the evaluation of structural features, and an accurate molecular weight (MW) determination, were employed and revealed unexpected structural features of the five alkali lignin fractions obtained with preparative size-exclusion chromatography (SEC). A thermal carbon analysis (TCA) provided quantitative temperature profiles based on sequential carbon evolution, including the final oxidation of char. The TCA results, supported with thermal desorption/pyrolysis gas chromatography–mass spectrometry (TD-Py-GC-MS) and 31P NMR spectroscopy, revealed the unfolding of the lignin structure as a result of the SEC fractionation, due to the disruption of the interactions between the high- and low-MW components. The “unraveled” lignin revealed poorly accessible hydroxyl groups and showed an altered thermal behavior. The fractionated lignin produced significantly less char upon pyrolysis, 2 vs. 47%. It also featured a higher occurrence of low-MW thermal evolution products, particularly guaiacol carbonyls, and more than double the number of OH groups accessible for phosphitylation. These observations indicate pronounced alterations in the lignin intermolecular association following size-exclusion fractionation, which may be used for more efficient lignin processing in biorefineries. Full article
(This article belongs to the Special Issue Natural Degradation: Management of Polymer Degradation)
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