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The chemical safety of poly (butylene adipate-co-terephthalate) (PBAT) based food contact articles (FCAs) has aroused increasing toxicological concerns in recent years, but the chemical characterization and associated risk assessment still remain inadequate as it fails to elucidate the distribution pattern and discern the potential genotoxic and carcinogenic hazards of the identified substances. Herein, the volatile organic compounds (VOCs) in 50 batches of PBAT-based FCAs of representative categories and 10 batches of PLA and PBAT pellets were characterized, by which 237 VOCs of 10 chemical categories were identified and exhibited characteristic distribution patterns in the chemical spaces derived from their molecular descriptors. Chemical hazards associated with the identified VOCs were discerned by a hazard-driven classification scheme integrating hazard-related knowledge from multiple publicly available sources, and 34 VOCs were found to bear genotoxic or carcinogenic hazards and to feature higher average molecular weight than the other VOCs. Finally, the Risk and hazard quotient (HQ) calculated as the metrics of risk suggested that all identified VOCs posed acceptable risks (Risk<10 -4 or HQ < 1), whereas oxolane, butyrolactone, N,N-dimethylacetamide, 2-butoxyethanol, benzyl alcohol, and 1,2,3-trichloropropane posed non-negligible (Risk>10 -6) genotoxic or carcinogenic risk and thus should be of prioritized concern to promote the chemical safety of PBAT-based FCAs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Incorporating spent coffee grounds into single-use drinking straws for enhanced biodegradability also raises safety concerns due to increased chemical complexity. Here, volatile organic compounds (VOCs) present in coffee ground straws (CGS), polylactic acid straws (PLAS), and polypropylene straws (PPS) were characterized using headspace - solid-phase microextraction and migration assays, by which 430 and 153 VOCs of 10 chemical categories were identified by gas chromatography - mass spectrometry, respectively. Further, the VOCs were assessed for potential genetic toxicity by quantitative structure-activity relationship profiling and estimated daily intake (EDI) calculation, revealing that the VOCs identified in the CGS generally triggered the most structural alerts of genetic toxicity, and the EDIs of 37.9% of which exceeded the threshold of 0.15 μg person -1 d -1 , also outnumbering that of the PLAS and PPS. Finally, 14 VOCs were prioritized due to their definite hazards, and generally higher EDIs or detection frequencies in the CGS. Meanwhile, the probability of producing safer CGS was also illustrated. Moreover, it was uncovered by chemical space that the VOCs with higher risk potentials tended to gather in the region defined by the molecular descriptor related to electronegativity or octanol/water partition coefficient. Our results provided valuable references to improve the chemical safety of the CGS, to promote consumer health, and to advance the sustainable development of food contact materials., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)

The objective was to establish a robust and reliable approach for the characterisation of volatile organic compounds (VOCs) present in food contact paperboard. This was achieved through the utilisation of headspace solid-phase microextraction in tandem with comprehensive two-dimensional (2D) gas chromatography (GC) and quadrupole time-of-flight mass spectrometry (HS-SPME-GC × GC-QTOF-MS). The experimental parameters were optimised, involving the use of a DVB/C-WR/PDMS fibre at a temperature of 80 °C for a duration of 30 min. A total of 344 VOCs comprising aldehydes, ketones, alcohols, ethers, esters, alkanes and aromatic compounds, were tentatively identified in the samples. Twelve compounds believed to be from biogenic sources had a high odour impact making them major contributors to potential taint from the paperboard samples. Significant attention should be devoted to five compounds namely, 2-methylnaphthalene, 2-pentyl-furan, furfural, 1-octen-3-one and 1-octen-3-ol due to their potential adverse impact on the organoleptic qualities of packaged food items and their potential toxicity. Abbreviations: C-WR: carbon wide range; DVB: divinylbenzene; GC-MS: gas chromatography - mass spectrometry; GCxGC-QTOF-MS: comprehensive two-dimensional gas chromatography coupled to quadrupole-time-of-flight - mass spectrometry; HS-SPME: headspace - solid phase microextraction; LOD: limit of detection; LOQ: limit of quantification; OAV: odor activity values; PDMS: polydimethylsiloxane; RI: retention index; TTC: threshold of toxicological concern; VOC: volatile organic compound.

A comparison was performed on various methods detecting the volatile contaminants (VCs) in recycled poly(ethylene terephthalate) (rPET) flakes, the results demonstrated that head-space solid phase micro-extraction combined with comprehensive two-dimensional gas chromatograph-tandem quadrupole-time-of-flight mass spectrometry (HS-SPME-GC×GC-QTOF-MS) was a sensitive, effective, accurate method, and successfully applied to analyze 57 rPET flakes collected from different recycling plants in China. A total of 212 VCs were tentatively identified, and the possible source were associated with plastic, food, and cosmetics. 45 VCs are classified as high-priority compounds with toxicity level IV or V and may pose a risk to human health. Combined chemometrics for further analysis revealed that significant differences among these three geographical recycling regions. 6, 7, and 6 volatile markers were chosen based on VIP values and S-plot among plant1 plant 2 and plant 3, respectively. The markers differed significantly between recycled rPET samples in three geographical recycling regions based on chemometrics analysis. The initial classification rate and cross-validation accuracy were 100% on the identified VCs. These significant differences demonstrate that a systematic study is needed to obtain a comprehensive data on the contamination of rPET for food contact applications in China., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier B.V. All rights reserved.)

Spray paint exhaust gas contains recalcitrant volatile organic compounds (VOCs), such as benzene, toluene and xylene (BTX). Treating BTX with a biofilter often achieves unsatisfactory results because the biofilter lacks efficient microbial community. In this work, three strains for BTX degradation were isolated and identified as Pseudomonas putida, Bacillus cereus and Bacillus subtilis by using 16S rRNA sequencing technology. A consortium of highly efficient microbial community was then constructed on a stable biofilm to treat BTX in a biofilter. A relatively suitable ratio of P. putida, B. cereus and B. subtilis was obtained. An efficiency of over 90% was achieved in the biofilter with VOC concentration of 1000 mg/m 3 through inoculation with the microbial community after only 10 days of operation. Thus, fast start-up of the biofilter was realised. Analysis of intermediate products by gas chromatography-mass spectrometry indicated that BTX was degraded into short-chain aldehydes or acids via ring opening reactions.

Volatile organic compounds (VOCs) are significant atmospheric pollutants that cause environmental and health risks. Waste gases polluted with multiple VOCs often need to be purified simultaneously in biofilters, which may lead to antagonistic, neutral, or synergistic effects on removal performance. Antagonism limits the application of biofilters to simultaneous treatment of multiple VOCs, while synergism has not yet been fully exploited. We review the interactions among multiple target pollutants and the changes in the bioavailability and biodegradability of substrates that are responsible for substrate interactions. Potential strategies for enhancing biofilter performance are then discussed. Finally, we propose further efforts to alleviate antagonism by enhancing bioavailability and biodegradability, and discuss possible challenges to take advantage of synergism., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

This study demonstrated a headspace gas chromatographic (HS-GC) method for the determination of residual epichlorohydrin (ECH) and the by-product 1,3-dichloro-2-propanol (DCP) in polyamine epichlorohydrin (PAE) solution. It was based on the vapor-liquid phase equilibrium of these analytes at 60°C for 30min in a closed headspace sample vial before GC measurement. It was found that matrix of the PAE solution had the effect on the headspace equilibrium of these species and therefore a standard addition must be applied in the method validation. The results showed that the present method has a good measurement precision (RSD <2.90%) and accuracy (recoveries from 93.6 to 105%), and the limit of quantitation (LOQ) is 3.75mg/L for ECH and 0.8g/L for DCP. The present method is suitable to be used for analyzing the chlorinated volatile organic compounds in the commercial PAE resin solutions., (Copyright © 2017 Elsevier B.V. All rights reserved.)

This study reports a new headspace gas chromatographic method (HS-GC) for the determination of water solubility of low volatility liquid organic compounds (LVLOs). The HS-GC analysis was performed on a set of aqueous solutions containing a range of concentrations of toluene-spiked (as a tracer) LVLOs, from under-saturation to over-saturation. A plot of the toluene tracer GC signal vs. the concentration of the LVLO results in two lines of different slopes that intersect at the concentration corresponding to the compound's solubility in water. The results showed that the HS-GC method has good precision (RSD <6.3%) and good accuracy, in which the relative deference between the data measured by the HS-GC method and the reference method were within 6.0%. The HS-GC method is simple and particularly suitable for measuring the solubility of LVLOs at elevated temperatures. This approach should be of special interest to those concerned about the impact of the presence of low-volatility organic liquids in waters of environmental and biological systems., (Copyright © 2016 Elsevier B.V. All rights reserved.)

In order to investigate the pyrolysis differences among lignocellulose and its major components, the biochars and volatiles of lignocellulose (bamboo), lignin, hemicellulose and holocellulose (from bamboo), and cellulose (from cotton linter) were studied using elemental analysis, FTIR, XRD, SEM, Py-GC/MS and TGA-FTIR. Result showed that the biochar yield of lignin (48.8%) was much higher than those of hemicellulose (21.1%), cellulose (8.3%), holocellulose (20.4%) and bamboo (15.1%), while no obvious elemental difference among these biochars was found. Results from Py-GC/MS indicated that carbonyl compounds, ethers and alcohols were the major volatiles of polysaccharide component pyrolysis, while aromatic compounds were the major volatiles of lignin pyrolysis. The pyrolysis of polysaccharide component mainly occurred at 200-400°C, while the pyrolysis of lignin happened at 300-700°C., (Copyright © 2013 Elsevier Ltd. All rights reserved.)

Hydrothermal liquefaction of cornstalk at 180-300 °C at ratios of water to cornstalk of 6-14 was conducted, and the reaction products were lumped into gas, water-soluble organics (ethanol-insoluble and ethanol-soluble organics), heavy oil, volatile organic compounds, and acid-soluble and acid-insoluble solid residues. Low temperature, high ratio of water to cornstalk, and short reaction time favored the formation of bio-oil (ethanol-insoluble organics, ethanol-soluble organics, and heavy oil) but inhibited the formation of acid-insoluble solid residue. Increasing temperature and reaction time increased the yields of gas and volatile organic compounds, whereas decreased the yield of acid-soluble solid residue. Bio-oil yields increased first and then decreased at a ratio of water to cornstalk higher than 10. Overall, the studied reaction parameters influenced the conversion among the lumps and product properties. This study suggests that lump analysis provides a promising approach to describe the product distributions in biomass liquefaction., (Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.)