Model Volatile Organic Compounds Research Articles

Assessing the Stability and Photocatalytic Efficiency of a Biodegradable PLA‐TiO2 Membrane for Air Purification

AbstractThe potential of a biodegradable polylactic acid (PLA)‐TiO2 membrane for air purification is investigated, utilizing the environmentally friendly solvent Cyrene. Through the integration of TiO2 nanoparticles within a PLA matrix, the membrane is used to degrade ethanol as a model volatile organic compound (VOC) under UV light. Scanning Electron Microscopy (SEM), Energy Dispersive X‐ray Analysis (EDX), and UV–vis spectrophotometry confirm the porous structure of the membrane, the even distribution of TiO2, and its effective band gap of 3.06 eV, respectively. Ethanol adsorption is best described by the Langmuir isotherm model, suggesting monolayer coverage on a homogeneous surface. Photocatalytic tests demonstrate that the membrane decomposes ethanol (6800 ppm) within 14 min under UV light, generating acetaldehyde, acetic acid, formaldehyde, and formic acid as intermediates, and ultimately producing CO2 and water. Reusability tests indicate a decrease in decomposition time over successive cycles due to increased TiO2 exposure from the gradual degradation of PLA. However, this degradation poses challenges for continuous use, compromising the membrane's long‐term durability.

Photocatalytic coatings with self-cleaning properties for indoor air treatment

In this work we have studied the photocatalytic and self-cleaning properties of TiO2 layers immobilized on polymeric panels, as passive elements for air treatment. In order to achieve easy scale-up technologies for the preparation of coatings, roller-coating technique was selected, comparing the results with those prepared by dip-coating. Composites were characterized by SAXRD, UV–Vis DRS spectroscopy, profilometry, N2 adsorption–desorption, SEM and AFM microscopy. The adherence of the coating was evaluated according the ASTM D3359 standard adhesive tape test. The photocatalytic properties of the materials were evaluated by the photodegradation of trichloroethylene or formaldehyde, as model volatile organic compounds, in the gas phase. The hydrophilic-hydrophobic properties were measured by studying the in-situ variation of the water contact angle with time and UV-A irradiation. Moreover, the self-cleaning properties were analyzed according to ISO 27448:2009 for oleic acid removal. Although coatings of approximately ca. 250 nm layer thickness can be prepared by both techniques, roller-coating allows the material deposition with a coral-like structure in a single and simple step. Surface roughness was promoted by roller process. The developed materials present high photocatalytic performance for the elimination of both model pollutants in the gas phase. Aging tests under outdoor conditions and Scotch tape test show the stability and resistance of the coatings. In-situ irradiation measurements show the superhydrophilic character of the coatings. Water contact angle lower than 10 ° after 300 min of UV-A irradiation was achieved for oleic acid removal. The combination of TiO2 nanoparticles with different crystal structures and sizes improves the photocatalytic performance. A correlation between the ability for pollutants degradation in gas phase and the self-cleaning properties (in-situ or oleic acid measurements) was determined.

UV-activated semiconductor gas sensor response measurement for formaldehyde detection

The gas sensing characteristics of ultraviolet light-emitting diodes (UV-LEDs)-activated semiconductor sensors were investigated to detect formaldehyde (HCHO) as a model volatile organic compound (VOC). As the major drawback of formaldehyde gas sensors is the low durability of the sensing material, efforts were made to establish a suitable metal oxide semiconductor and to enhance its stability throughout the sensing process. In2O3 nanoparticles (NPs) as the sensing material showed restructuring caused by exposure to different concentrations of formaldehyde in the presence of UV radiation when its morphology and structure were analyzed. UV radiation in the presence of formaldehyde was found to play a critical role in nanoparticles agglomeration, as well as its response inconsistency and instability.The novel method of measuring UV radiation elimination in the initial stages of the response curve was deemed effective for sensing layer preservation in this study. The scanning electron microscopy (SEM) results showed that this approach prevented any notable deformation in the nanoparticles’ shape and size and resulted in reproducible responses to various formaldehyde concentrations (10–50 ppm) in the steady-state and transient (5 min exposure) phases of the response curve. Hence, a short-time UV exposure has the potential to be applied in practical gas sensing applications in which the sensor can be automatically turned off a few minutes after any target gas detection. The gas sensor response slope in the transient phase of the response curve was found to be a very good indicator of target gas concentration and to obtain fast and consistent results while preserving the sensing material from restructuring. The findings of this study can be incorporated into the development of UV-LED-activated gas sensors where stable and fast response measurements of VOCs are required.

Abatement of Volatile Organic Compounds Employing a Thermoplastic Nano‐Photocatalyst Layered on a Glass Reactor

AbstractIndustrial development and urbanization have increased the emission of Volatile Organic Compounds (VOCs) into the atmosphere, causing environmental and health risks. Several approaches are used for their abatement, including chemical, thermo‐ and photo‐catalytic oxidations, but they are not fully satisfactory. In this work, a thermoplastic TiO2‐based photo‐catalyst was used as a coating layer of a glass‐reactor. Solar‐triggered photocatalytic degradation of ethanol, toluene, and acetone (used as model VOCs) highlights the better performance of the coated photoreactor than that of TiO2 nanopowder. The influence of the pollutant flow rate on the photodegradation performance of the system was also investigated, revealing an inverse relationship between degradation and flow rates. The experimental data suggest that our approach provides a cost‐effective and efficient way to boost the abatement of VOCs, useful for further industrial‐scale applications. The morphology and the compositional homogeneity of the nanocomposite coating were addressed through Field Emission Scanning Electron Microscopy coupled with Energy Dispersive X‐ray Analysis.

Effect of manganese addition to Ni-Cu oxides on properties and activity in the oxidation of volatile organic compounds

Transition metal oxides are suitable for the total oxidation of harmful volatile organic compounds. The effect of Mn addition to Ni-Cu oxides was investigated to determine the optimum cation composition for achieving high catalytic performance in the total oxidation of ethanol and toluene, which were chosen as model volatile organic compounds. Single component (Ni, Cu, Mn), binary Ni-Cu, and ternary (Ni-Cu-Mn) oxide catalysts with various Ni:Cu and Ni:Cu:Mn molar ratios were prepared by precipitation of aqueous nitrate solutions followed by calcination at 500 °C in air. The catalysts were characterized by AAS, powder XRD, Raman spectroscopy, N2 adsorption, H2-TPR, and XPS spectroscopy. The addition of Mn to Ni-Cu oxides led to the formation of Ni-Cu-Mn mixed oxides with spinel structure and Ni-Mn mixed oxides (Ni6MnO8, NiMnO3). On the other hand, the Ni-Cu catalysts contained a mixture of NiO and CuO. In the H2-TPR experiments, the Ni-Cu-Mn oxides were reduced at lower temperatures compared to the binary Ni-Cu catalysts. The catalytic performance of Ni-Cu-Mn oxide catalysts was higher than that of the Ni-Cu catalysts. As the Mn concentration increased, the concentration of metal-bound oxygen raised, while the concentration of oxygen vacancies slightly decreased. A linear correlation was revealed between the surface concentrations of oxygen vacancies determined by XPS and specific reaction rates in ethanol and toluene oxidation over the Ni-Cu and Ni-Cu-Mn catalysts. For the Ni-Cu-Mn mixed oxides and the mixture of Ni and Cu oxides, a synergistic effect was found in the oxidation of both model compounds.

Multi-omics analysis reveals hepatic lipid metabolism profiles and serum lipid biomarkers upon indoor relevant VOC exposure

As a widespread indoor air pollutant, volatile organic compound (VOC) caused various adverse health effects, especial the damage to liver, which has become a growing public concern. However, the current toxic data are intrinsically restricted in the single or major VOC species. Limited knowledge is available regarding toxic effects, biomarkers and underlying mechanisms of real indoor VOC-caused liver damage. Herein, an indoor relevant VOC exposure model was established to evaluate the hepatic adverse outcomes. Machine learning and multi-omics approaches, including liver lipidomic, serum lipidomic and liver transcriptomic, were utilized to uncover the characteristics of liver damage, serum lipid biomarkers, and involved mechanism stimulated by VOC exposure. The result showed that indoor relevant VOC led to the abnormal hepatic lipid metabolism, mainly manifested as a decrease in triacylglycerol (TG) and its precursor substance diacylglycerol (DG), which could be contributed to the occurrence of hepatic adverse outcomes. In terms of serum lipid biomarkers, five lipid biomarkers in serum were uncovered using machine learning to reflect the hepatic lipid disorders induced by VOC. Multi-omics approaches revealed that the upregulated Dgkq disturbed the interconversion of DG and phosphatidic acid (PA), leading to a TG downregulation. The in-depth analysis revealed that VOC down-regulated FoxO transcription factor, contributing to the upregulation of Dgkq. Hence, this study can provide valuable insights into the understanding of liver damage caused by indoor relevant VOC exposure model VOC exposure, from the perspective of multi-omics analysis.

Winning Combination of Cu and Fe Oxide Clusters with an Alumina Support for Low-Temperature Catalytic Oxidation of Volatile Organic Compounds.

A γ-alumina support functionalized with transition metals is one of the most widely used industrial catalysts for the total oxidation of volatile organic compounds (VOCs) as air pollutants at higher temperatures (280-450 °C). By rational design of a bimetal CuFe-γ-alumina catalyst, synthesized from a dawsonite alumina precursor, the activity in total oxidation of toluene as a model VOC at a lower temperature (200-380 °C) is achieved. A fundamental understanding of the catalyst and the reaction mechanism is elucidated by advanced microscopic and spectroscopic characterizations as well as by temperature-programmed surface techniques. The nature of the metal-support bonding and the optimal abundance between Cu-O-Al and Fe-O-Al species in the catalysts leads to synergistic catalytic activity promoted by small amounts of iron (Fe/Al = 0.005). The change in the metal oxide-cluster alumina interface is related to the nature of the surfaces to which the Cu atoms attach. In the most active catalyst, the CuO6 octahedra are attached to 4 Al atoms, while in the less active catalyst, they are attached to only 3 Al atoms. The oxidation of toluene occurs via the Langmuir-Hinshelwood mechanism. The presented material introduces a prospective family of low-cost and scalable oxidation catalysts with superior efficiency at lower temperatures.

Polarity induced vapochromism and vapoluminescence of polythiophene derivatives for volatile organic compounds classification

Polarity induced vapochromic and vapoluminescent properties of cationic poly-3-alkoxythiophene derivatives (PT) casted on polyvinylidene fluoride (PVDF) membranes are reported. PT with six different pendant groups are designed to differentially interact with volatile organic compounds (VOC) of varying polarities, thereby enabling their classification. PT exhibit a rapid vapochromic response with a concurrent modulation of vapoluminescence due to the non-covalent cation-π interactions between the pendant groups and the PT backbone. Adsorption of VOC on pendant groups alters the conformation of PT backbone, thus resulting in an increase in intensity and blue shifting of fluorescence emission within the visible spectrum. The vapoluminescent responses are found to be more sensitive with a limit of detection (LOD) of ∼7 ppm and a wider dynamic range as compared to the vapochromic responses with a LOD of ∼60 ppm for the detection of a model VOC: chloroform. Notably, all the PT illustrate an instantaneous recovery of colour and luminescence upon desorption of VOC. PT interaction with VOC of varying polarities was ascertained using density functional theory (DFT) and principal component analysis (PCA) methodologies. In summary, the polarity induced vapochromic and vapoluminescent properties of PT could yield a selective and sensitive vapochromic and fluorometric dual-mode VOC detection platform.

Tungsten-based activated carbon matrix for the catalytic oxidation of model volatile organic compounds (VOCs) and pharmaceutical VOCs from wastewater

Tungsten-based activated carbon matrix for the catalytic oxidation of model volatile organic compounds (VOCs) and pharmaceutical VOCs from wastewater

Gas-phase degradation of VOCs using supported bacteria biofilms.

Herein we report the use of Pseudomonas putida F1 biofilms grown on carbonized cellulosic fibers to achieve biodegradation of airborne volatile organic compounds (VOCs) in the absence of any bulk aqueous-phase media. It is believed that direct exposure of gaseous VOC substrates to biomass may eliminate aqueous-phase mass transfer resistance and facilitate VOC capture and degradation. When tested with toluene vapor as a model VOC, the supported biofilm could grow optimally at 300 p.p.m. toluene and 80% relative humidity, with a specific growth rate of 0.425 day-1 . During long-term VOC biodegradation tests in a tubular packed bed reactor, biofilms achieved a toluene degradation rate of 2.5 mg gDCW -1 h-1 during the initial growth phase. Interestingly, the P. putida F1 film kept biodegrading activity even at the stationary nongrowth phase. The supported biofilms with a biomass loading of 20% (wt) could degrade toluene at a rate of 1.9 mg gDCW -1 h-1 during the stationary phase, releasing CO2 at a rate of 6.4 mg gDCW -1 h-1 at the same time (indicating 100% conversion of substrate carbon to CO2 ). All of these observations promised a new type of "dry" biofilm reactors for efficient degradation of toxic VOCs without involving a large amount of water.

Nanofibers as optical sensors for model VOCs dispersed in aqueous phase

AbstractNanofibers mats, prepared from poly(vinyl chloride) (PVC) containing dispersed dye Nile red (NR) were applied in a proof of concept study as optical sensors for Volatile Organic Compounds (VOCs) dispersed in an aqueous phase. Benefiting from the solubility of the dye, and in some cases, also of the polymer in model solvents belonging to the group of VOCs, an increase of emission was observed for increasing solvent concentration in the sample. The optical signal formation was observed regardless if only the dye or both dye and PVC were soluble in the tested solvent. In both cases, high sensitivity emission increases for increasing VOCs present in the aqueous phase were observed within the range of concentration of model analytes: from 200 ppm of m‐xylene or from 300 ppm of styrene, to up to ca 1500 ppm. The obtained higher detection limit was lower compared to films of PVC containing the dye due to the lower availability of the material to be dissolved by analyte – solvent. The large surface area of nanofibers was useful in the detection, leading to higher signal changes compared to films.

Platinum Nanoparticles Immobilized on Electrospun Membranes for Catalytic Oxidation of Volatile Organic Compounds.

Structured catalytic membranes with high porosity and a low pressure drop are particularly suitable for industrial processes carried out at high space velocities. One of these processes is the catalytic total oxidation of volatile organic compounds, which is an economically feasible and environmentally friendly way of emission abatement. Noble metal catalysts are typically preferred due to high activity and stability. In this paper, the preparation of a thermally stable polybenzimidazole electrospun membrane, which can be used as a support for a platinum catalyst applicable in the total oxidation of volatile organic compounds, is reported for the first time. In contrast to commercial pelletized catalysts, high porosity of the membrane allowed for easy accessibility of the platinum active sites to the reactants and the catalytic bed exhibited a low pressure drop. We have shown that the preparation conditions can be tuned in order to obtain catalysts with a desired platinum particle size. In the gas-phase oxidation of ethanol, acetone, and toluene, the catalysts with Pt particle sizes 2.1 nm and 26 nm exhibited a lower catalytic activity than that with a Pt particle size of 12 nm. Catalysts with a Pt particle size of 2.1 nm and 12 nm were prepared by equilibrium adsorption, and the higher catalytic activity of the latter catalyst was ascribed to more reactive adsorbed oxygen species on larger Pt nanoparticles. On the other hand, the catalyst with a Pt particle size of 26 nm was prepared by a solvent evaporation method and contained less active polycrystalline platinum. Last but not least, the catalyst containing only 0.08 wt.% of platinum achieved high conversion (90%) of all the model volatile organic compounds at moderate temperatures (lower than 335 °C), which is important for reducing the costs of the abatement technology.

Time-of-flight mass spectrometry with pulsed glow discharge for direct determination of volatile organic compounds in air, nitrogen and argon. Volatile organic compounds ionization processes

Determination of volatile organic compounds (VOCs) in various gases, including atmospheric and exhaled human air, is required to solve a wide range of environmental problems, control the composition of various gases and is increasingly used for diagnosis of various diseases. Lately, methods of soft ionization with minimal fragmentation of the components have been rapidly developed. In particular, our research group is developing an approach to direct analysis of mixtures of VOCs using time-of-flight pulsed glow discharge mass spectrometry. Previously, the effects of different gases and gas mixtures on ionization processes were not compared. Therefore, the ionization mechanisms of VOCs in argon, nitrogen, and air were investigated in the present work. Toluene, p-xylene, chlorobenzene and 1,2,4-trimethylbenzene were chosen as the model VOCs. Optimization of microsecond pulsed glow discharge parameters (period and duration of the discharge pulse, repelling pulse delay time and pressure in the discharge cell) for each compound and a gas mixture of several VOCs was carried out. The predominant ionization mechanisms are the formation of a VOC molecular ion by Penning ionization and the proton transfer reaction; their influence being different for various gases. It is shown that the use of argon even with a small addition of water leads to the predominance of the proton transfer reaction, whereas in nitrogen and air the Penning ionization predominates. The maximum VOC intensities were achieved in air, and the developed approach

Plasma Jet Sputtering as an Efficient Method for the Deposition of Nickel and Cobalt Mixed Oxides on Stainless-Steel Meshes: Application to VOC Oxidation

Hollow cathode plasma sputtering is an advantageous method of preparing catalysts in the form of thin oxide films on supports. Such catalysts are particularly suitable for processes such as catalytic total oxidation of volatile organic compounds (VOCs), representing an economically feasible and environmentally friendly method of VOC abatement. Catalysts with Ni:Co molar ratios of 1:4, 1:1, and 4:1 were prepared on stainless-steel meshes and compared with single-component Ni and Co oxide catalysts. The properties of the catalysts were characterized by EDX, SEM, powder XRD, temperature-programmed reduction (H2-TPR), Raman spectroscopy, and XPS. Powder XRD revealed the formation of various crystalline phases that were dependent on molar the Ni:Co ratio. NiO and Co3O4 were identified in the single-component Ni and Co oxide catalysts, whereas Ni-Co mixed oxides with a spinel structure, together with NiO, were found in the catalysts containing both Ni and Co. Raman spectra of the catalysts prepared at high working pressures showed a slightly lower intensity of bands, indicating the presence of smaller oxide particles. The TPR profiles confirmed the improved reducibility of the Ni-Co oxide catalysts compared to the single-component Ni and Co catalysts. Catalytic activity was investigated in the deep oxidation of ethanol and toluene, which were used as model volatile organic compounds. In ethanol oxidation, the activity of sputtered catalysts was up to 16 times higher than that of the commercial Cu-Mn oxide catalyst EnviCat® VOC-1544. The main benefits of the sputtered catalysts are the much lower content of Ni and Co oxides and a negligible effect of internal diffusion. Moreover, the process of plasma jet sputtering can be easily implemented on a large scale.

Utilisation of waste Cu-, Mn- and Fe-loaded zeolites generated after wastewater treatment as catalysts for air treatment.

Disposal of copper, manganese and iron is particularly problematic in wastewater of metallurgical and galvanization plants, the electronics industry and agriculture. On the other hand, volatile organic compounds (VOCs), emitted from industrial processes, transportation and consumer products are the main class of air pollutants. The study revealed the potential of waste metal-loaded zeolite, generated through wastewater treatment procedures, to be utilised as an effective VOC removal catalyst for air treatment. In the first step, we have evaluated the sorption performance of natural zeolite clinoptilolite (HEU type), and synthetic zeolite 4A (LTA type) for the simultaneous removal of Cu2+, Mn2+ and Fe3+ species from aqueous solution. By a detailed sorption study, we determined the optimum sorption conditions and maximum metal concentrations in wastewater that can be after treatment disposed of in rivers or municipal plants. The efficiency of both zeolites for metal immobilization was demonstrated for concentrations up to 5mg metals/1g zeolite. These waste Cu-, Mn- and Fe-loaded zeolites were thermally treated at 540°C before the second step, where we evaluated their catalytic performance in removing VOC. The thermally treated waste Cu-, Mn- and Fe-loaded natural zeolite clinoptilolite showed good catalytic performance in total toluene oxidation as a model VOC (conversion rate up to 96% at 510°C) and cycling stability (less than 15% drop in conversion rate in 4h). In contrast, this is not the case for thermally treated waste Cu-, Mn- and Fe-loaded synthetic zeolite 4A.

Polyurethane Foam Face Masks as a Dosimeter for Quantifying Personal Exposure to Airborne Volatile and Semi-Volatile Organic Compounds.

Airborne volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) are commonly quantitated by collecting the analytes on solid sorbent tubes or passive air samplers, followed by solvent extraction and instrumental analysis, or by grab bag/canister measurements. We report herein a user-friendly sampling method by breathing through polyurethane foam (PUF) face masks to collect airborne VOCs and SVOCs for chemical analysis. Specifically, dibasic esters, phthalate esters, polycyclic aromatic hydrocarbons, linalool, and nicotine trapped on PUF masks were quantitated by gas chromatography-mass spectrometry analysis as model VOCs and SVOCs. Results showed that the amount of these model VOCs and SVOCs trapped on PUF masks is proportional to the exposure duration. After cross-validation by parallel sampling using XAD-2 packed sorbent tubes, the method was used to quantitate VOCs and SVOCs in a variety of indoor and outdoor environments with varying air concentrations of analytes, temperature, humidity, and wind speed. Because air pollution is considered a major cause of many human diseases and premature deaths and the developed PUF mask sampling method showed high trapping efficiencies for both VOCs and SVOCs, it is believed that the developed sampling method will find wide application in assessing air pollution-associated disease risks with possible extension to more classes of VOCs and SVOCs when coupled with suitable instrumental detection methods.

Influence of the Thermal Processing and Doping on LaMnO3 and La0.8A0.2MnO3 (A = Ca, Sr, Ba) Perovskites Prepared by Auto-Combustion for Removal of VOCs

Single-phase oxygen stoichiometric LaMnO3 and doped La0.8A0.2MnO3 (A = Ca, Sr, Ba) perovskites have been prepared by a simple one-step auto-combustion method. Cation-deficient LaMnO3+δ and La0.8A0.2MnO3+δ were obtained by calcination of the former samples in air at 750 °C. The samples were characterized by X-ray powder diffraction, X-ray photoelectron spectroscopy, temperature-programmed reduction, temperature-programmed oxygen desorption, and N2 physisorption in order to apply them as catalysts in the complete catalytic oxidation of acetone as a model volatile organic compound. The studied phases show the expected orthorhombic and rhombohedral perovskite crystal structures. Catalytic experiments performed with all the samples show measurable activity already at 100 °C. At 200 °C, doped La0.8A0.2MnO3 samples show higher activity than undoped LaMnO3, with increasing conversion with larger A-cation size. Calcined samples also show higher activity than as-prepared ones making La0.8Ba0.2MnO3+δ the best catalyst at this temperature. All doped samples show >95% acetone conversion at T ≥ 250 °C with a weak dependence on the sample processing or A cation doping. The collected evidence confirms that the most important factors for the catalytic activity of these oxides are the Mn4+/Mn3+ molar ratio on the surface of the samples and the cation-deficiency of the bulk perovskite structure. In addition, increasing the symmetry of the bulk crystal structure appears to have an additional favourable effect. Despite the observation of the presence of surface carbonates, we show that it is possible to use the as-prepared samples without further thermal treatment with good results in the oxidation of acetone.

Analysis of Sequential Adsorption–Oxidation of VOCs on Atomic Layer-Deposited PtNi/ZrO2–SiO2 Dual-Function Materials

To develop efficient dual-function materials (DFMs) for capture and destruction of volatile organic compounds (VOCs), we prepared a series of composite materials comprising PtNi nanoparticles supported on ZrO2-promoted SiO2 (PtNi/ZrO2–SiO2) via atomic layer deposition (ALD) method and investigated them for sequential adsorption and desorption/catalytic oxidation of benzene, as a model VOC compound. ZrO2 was first deposited on a unimodal SiO2 support, followed by deposition of Pt and Ni nanoparticles with varried amount. Dynamic adsorption experiments were conducted using a 500 ppmv-laden feed at 25 °C and 1 atm, followed by in situ catalytic oxidation at 200 °C. Among the DFMs investigated, 1Pt2Ni/ZrSi emerged as the material with overall in situ conversion of ∼96% due to its retaively high PtNi acid sites density compared with other DFMs. Kinetic analysis was conducted on 1Pt2Ni/ZrSi by investigating the effects of feed concentration, regenerative feed flow rate, and oxidation temperature on the benzene conversion in the sequential adsorption–oxidation process. The results of the kinetic analysis revealed that a complete oxidation can be attained over 1Pt2Ni/ZrSi and its performance can be improved upon decreasing adsorptive feed benzene concentration (maximum value of 99.7% at 125 ppmv) and regenerative feed flow rate (100% at 5 mL/min), and increasing oxidation temperature (100% at 200 °C). Overall, the obtained results highlighted the optimal operation conditions for sequential adsorption and oxidation of VOCs over ALD-based DFMs.

Insights into the performance of the two contrasting dynamic adsorption platforms in the removal of gaseous benzene on microporous carbon materials

A high-speed purification system made of packed-bed adsorber is often subject to apparent demerits (e.g., pressure drop and/or high energy consumption) when treating waste gas. As a potential alternative to such system, a denuder sorbent tube has been constructed by coating powder-activated carbon (PAC) on the inner surface of the sorbent tube with the help of polyvinyl alcohol (PVA) as adhesive. The designed denuder sorbent tube was then used to treat a gaseous stream containing 1 Pa benzene (as a model volatile organic compound (VOC)) under various volumetric flow rates (100–500 mL·min−1). The results revealed that the designed packed bed outperformed the denuder system by a factor of at least two (in terms of the breakthrough volume (BTV, L·g−1) and adsorption capacity (Q, mg·g−1) at 10% BT) when tested at upper flow rates (200–500 mL·min−1). In contrast, the pattern was reversed at the lowest flow rate of 100 mL·min−1 so that the denuder (BTV 10% = 615 L·g−1) outperforms the packed bed (330 L·g−1). According to the adsorption kinetic analysis, the surface-interaction and film diffusion have a rate-determining adsorption step in the denuder, while the boundary/pore diffusion mechanism should play a crucial role in the packed-bed system. Overall, the PAC-based denuder system is recommendable in removing VOCs at or near ambient conditions as an efficient alternative to replace traditional packed-bed columns.

PyAIR-A New Software Tool for Breathomics Applications-Searching for Markers in TD-GC-HRMS Analysis.

Volatile metabolites in exhaled air have promising potential as diagnostic biomarkers. However, the combination of low mass, similar chemical composition, and low concentrations introduces the challenge of sorting the data to identify markers of value. In this paper, we report the development of pyAIR, a software tool for searching for volatile organic compounds (VOCs) markers in multi-group datasets, tailored for Thermal-Desorption Gas-Chromatography High Resolution Mass-Spectrometry (TD-GC-HRMS) output. pyAIR aligns the compounds between samples by spectral similarity coupled with retention times (RT), and statistically compares the groups for compounds that differ by intensity. This workflow was successfully tested and evaluated on gaseous samples spiked with 27 model VOCs at six concentrations, divided into three groups, down to 0.3 nL/L. All analytes were correctly detected and aligned. More than 80% were found to be significant markers with a p-value < 0.05; several were classified as possibly significant markers (p-value < 0.1), while a few were removed due to background level. In all group comparisons, low rates of false markers were found. These results showed the potential of pyAIR in the field of trace-level breathomics, with the capability to differentially examine several groups, such as stages of illness.