Evolution Of Volatile Organic Compounds Research Articles

Dynamic evolution of volatile organic compounds in infant formula during storage: Insights from gas chromatography-ion mobility spectrometry

The flavor profile of infant formula (IF) determines its overall acceptability and palatability, significantly impacting its desirability for infants, while the presence of off-flavors challenges the feeding experience and IF quality, even may lead to the rejection by infants. In this study, the dynamic changes in volatile organic compounds (VOCs) during 12 weeks of IF storage at 4 °C–60 °C were monitored by Gas chromatography-ion mobility spectrometry (GC-IMS) for capturing the fingerprints of VOCs. The GC-IMS revealed that a total of 44 VOCs, including acids, alcohols, aldehydes, esters, ketones, and furans. The alternative principal component analysis (PCA) and Sankey diagram in this study offered a comprehensive tracing of the dynamic changes in VOCs, providing valuable implications for the optimization of IF quality control, assessment for validity period and origin tracking in the food industrial.

Photochemical evolution of the 2013 California Rim Fire: synergistic impacts of reactive hydrocarbons and enhanced oxidants

Abstract. Large wildfires influence regional atmospheric composition, but chemical complexity challenges model predictions of downwind impacts. Here, we elucidate key connections within gas-phase photochemistry and assess novel chemical processes via a case study of the 2013 California Rim Fire plume. Airborne in situ observations, acquired during the NASA Studies of Emissions, Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) mission, illustrate the evolution of volatile organic compounds (VOCs), oxidants, and reactive nitrogen over 12 h of atmospheric aging. Measurements show rapid formation of ozone and peroxyacyl nitrates (PNs), sustained peroxide production, and prolonged enhancements in oxygenated VOCs and nitrogen oxides (NOx). Observations and Lagrangian trajectories constrain a 0-D puff model that approximates plume photochemical history and provides a framework for evaluating process interactions. Simulations examine the effects of (1) previously unmeasured reactive VOCs identified in recent laboratory studies and (2) emissions and secondary production of nitrous acid (HONO). Inclusion of estimated unmeasured VOCs leads to a 250 % increase in OH reactivity and a 70 % increase in radical production via oxygenated VOC photolysis. HONO amplifies radical cycling and serves as a downwind NOx source, although impacts depend on how HONO is introduced. The addition of initial HONO (representing primary emissions) or particulate nitrate photolysis amplifies ozone production, while heterogeneous conversion of NO2 suppresses ozone formation. Analysis of radical initiation rates suggests that oxygenated VOC photolysis is a major radical source, exceeding HONO photolysis when averaged over the first 2 h of aging. Ozone production chemistry transitions from VOC sensitive to NOx sensitive within the first hour of plume aging, with both peroxide and organic nitrate formation contributing significantly to radical termination. To simulate smoke plume chemistry accurately, models should simultaneously account for the full reactive VOC pool and all relevant oxidant sources.

The Role of Coffee Silver Skin against Oxidative Phenomena in Newly Formulated Chicken Meat Burgers after Cooking.

Coffee Silver Skin (CSS) is the unique by-product discarded after the roasting of coffee beans. This research aimed to evaluate the effect of two levels of CSS (1.5% and 3%) added as a natural ingredient in new formulations of chicken meat burgers. This is one of the first studies proposing a “formulation approach” to control the emergence of off flavours after meat cooking. Physical, chemical, and sensory analyses were carried out, within the CSS content and the evolution of volatile organic compounds in different samples. Newly formulated chicken burgers could limit food waste, while also becoming a source of fibres, minerals, and bioactive molecules. CSS limited weight losses (after cooking process) to 10.50% (1.5% addition) and 11.05% (3% addition), significantly lower (p < 0.01) than the control (23.85%). In cooked burgers, the occurrence of hexanal was reduced from 55.1% (CTRL T0) to 11.7% (CSS T0 1.5%) to 0 (CSS T0 3%). As for the limitation of off-flavours, CSS also showed good activity, contrasting with the emergence of octanal, alcohols and other markers of lipid oxidation. From the sensory test carried out, the volatile profile of CSS does not seem to impair the flavour of burgers, though at higher percentages hydrocarbons and pyrazines are traceable. The thiobarbituric acid reactive substances (TBARS assay confirmed the protective effect of CSS against oxidation.

The Flavor Chemistry of Fortified Wines-A Comprehensive Approach.

For centuries, wine has had a fundamental role in the culture and habits of different civilizations. Amongst numerous wine types that involve specific winemaking processes, fortified wines possess an added value and are greatly honored worldwide. This review comprises the description of the most important characteristics of the main worldwide fortified wines—Madeira, Port, Sherry, Muscat, and Vermouth—structured in three parts. The first part briefly describes the chemistry of wine flavor, the origin of typical aroma (primary, secondary and tertiary), and the influencing parameters during the winemaking process. The second part describes some specificities of worldwide fortified wine, highlighting the volatile composition with particular emphasis on aroma compounds. The third part reports the volatile composition of the most important fortified wines, including the principal characteristics, vinification process, the evolution of volatile organic compounds (VOCs) during the aging processes, and the most important odor descriptors. Given the worldwide popularity and the economic relevance of fortified wines, much research should be done to better understand accurately the reactions and mechanisms that occur in different stages of winemaking, mainly during the oxidative and thermal aging.

Evolution of VOC and Sensory Characteristics of Stracciatella Cheese as Affected by Different Preservatives.

Undesired volatile organic compounds (VOCs) can negatively affect the flavor of fresh food products; especially those characterized by a mild and delicate aroma. Finding connections between chemical and sensory analyses is a useful way to better understand the arising of off-flavors. A study was conducted on stracciatella; a traditional Italian cream cheese that is emerging on international markets. Samples were prepared by adding two different preservatives (alone or combined): sorbic acid and an olive leaf extract. Their influence on flavor preservation during refrigerated storage was investigated by chemical, microbiological and sensory analyses. A strong change of the VOC profile was ascertained after 8 days in the control cheese and in the sample added with leaf extract alone. The samples containing sorbic acid, alone or in combination with leaf extract, gave the best chemical and sensory results, demonstrating a significant shelf-life extension. In particular, these samples had lower concentrations of undesired metabolites, such as organic acids and volatiles responsible for off-flavor, and received better scores for odor and taste. Ex and Ex-So samples had significantly higher antioxidant activity than Ctr and So throughout the entire storage period, and the color parameter shows no differences among samples taken on the same day. The use of the olive leaf extract, at the concentration tested, seemed to be interesting only in the presence of sorbic acid due to possible synergic effect that mainly acted against Enterobacteriaceae.

Volatile organic compounds throughout the manufacturing process of Mozzarella di Gioia del Colle PDO cheese

The evolution of volatile organic compounds during the production process of Mozzarella di Gioia del Colle (traditional type) was investigated in comparison with citric mozzarella (industrial type). The total volatile concentration in the traditional curd was ten times higher than milk, versus only twice as much in the industrial type. In both technologies, the concentrations decreased from curd to mozzarella at the same rate, due to losses during the stretching phase. The higher microbial activity in the traditional product was responsible for a much more complex profile, characterised by 2- and 3-methylbutanal, acetoin, ethanol, 3-methyl-1-butanol, acetic acid and ethyl-acetate. In contrast, the industrial mozzarella had a very simple profile, with the most important compounds being directly derived from the milk, the oxidation reactions, or the activity of the adventitious microflora such as acetone, hexanal, nonanal, and hexanoic acid. According to the discriminant analysis, Mozzarella di Gioia del Colle had a very different profile than the milk used, whereas the industrial mozzarella was more similar to the milk.

Proton-Transfer-Reaction Mass Spectrometry: Applications in Atmospheric Sciences

Proton-transfer-reaction mass spectrometry (PTR-MS) has been widely used to study the emissions, distributions, and chemical evolution of volatile organic compounds (VOCs) in the atmosphere. The applications of PTR-MS have greatly promoted understanding of VOC sources and their roles in air-quality issues. In the past two decades, many new mass spectrometric techniques have been applied in PTR-MS instruments, and the performance of PTR-MS has improved significantly. This Review summarizes these developments and recent applications of PTR-MS in the atmospheric sciences. We discuss the latest instrument development and characterization work on PTR-MS instruments, including the use of time-of-flight mass analyzers and new types of ion guiding interfaces. Here we review what has been learned about the specificity of different product ion signals for important atmospheric VOCs. We present some of the recent highlights of VOC research using PTR-MS including new observations in urban air, biomass-burning plumes, forested regions, oil and natural gas production regions, agricultural facilities, the marine environment, laboratory studies, and indoor air. Finally, we will summarize some further instrument developments that are aimed at improving the sensitivity and specificity of PTR-MS and extending its use to other applications in atmospheric sciences, e.g., aerosol measurements and OH reactivity measurements.

The Gaseous Phase as a Probe of the Astrophysical Solid Phase Chemistry

Abstract In support of space missions and spectroscopic observations, laboratory experiments on ice analogs enable a better understanding of organic matter formation and evolution in astrophysical environments. Herein, we report the monitoring of the gaseous phase of processed astrophysical ice analogs to determine if the gaseous phase can elucidate the chemical mechanisms and dominant reaction pathways occurring in the solid ice subjected to vacuum ultra-violet (VUV) irradiation at low temperature and subsequently warmed. Simple (CH3OH), binary (H2O:CH3OH, CH3OH:NH3), and ternary ice analogs (H2O:CH3OH:NH3) were VUV-processed and warmed. The evolution of volatile organic compounds in the gaseous phase shows a direct link between their relative abundances in the gaseous phase, and the radical and thermal chemistries modifying the initial ice composition. The correlation between the gaseous and solid phases may play a crucial role in deciphering the organic composition of astrophysical objects. As an example, possible solid compositions of the comet Lovejoy are suggested using the abundances of organics in its comae.

Analysis of volatile organic compounds released from the decay of surrogate human models simulating victims of collapsed buildings by thermal desorption–comprehensive two-dimensional gas chromatography–time of flight mass spectrometry

Field experiments were devised to mimic the entrapment conditions under the rubble of collapsed buildings aiming to investigate the evolution of volatile organic compounds (VOCs) during the early dead body decomposition stage. Three pig carcasses were placed inside concrete tunnels of a search and rescue (SAR) operational field terrain for simulating the entrapment environment after a building collapse. The experimental campaign employed both laboratory and on-site analytical methods running in parallel. The current work focuses only on the results of the laboratory method using thermal desorption coupled to comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (TD-GC×GC-TOF MS). The flow-modulated TD-GC×GC-TOF MS provided enhanced separation of the VOC profile and served as a reference method for the evaluation of the on-site analytical methods in the current experimental campaign. Bespoke software was used to deconvolve the VOC profile to extract as much information as possible into peak lists. In total, 288 unique VOCs were identified (i.e., not found in blank samples). The majority were aliphatics (172), aromatics (25) and nitrogen compounds (19), followed by ketones (17), esters (13), alcohols (12), aldehydes (11), sulfur (9), miscellaneous (8) and acid compounds (2). The TD-GC×GC-TOF MS proved to be a sensitive and powerful system for resolving the chemical puzzle of above-ground “scent of death”.

Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

Abstract. The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to approximate the observed MCMA daytime patterns and absolute values of the VOC OH reactivity. The MOZART model is also in agreement with observations showing that NMHCs dominate the reactivity distribution except in the afternoon hours. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. A northeast transport event was studied in which air originating in the MCMA was intercepted aloft with the Department of Energy (DOE) G1 on 18 March and downwind with the National Center for Atmospheric Research (NCAR) C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind; ozone was shown to be photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial extent and temporal evolution of the plume and to help interpret the observed OH reactivity. The model results generally showed good agreement with experimental results for the total VOC OH reactivity downwind and gave insight into the distributions of VOC chemical classes. A box model with detailed gas phase chemistry (NCAR Master Mechanism), initialized with concentrations observed at one of the ground sites in the MCMA, was used to examine the expected evolution of specific VOCs over a 1–2 day period. The models clearly supported the experimental evidence for NMHC oxidation leading to the formation of OVOCs downwind, which then become the primary fuel for ozone production far away from the MCMA.

Carbon Isotope Fractionation During Volatilization of Petroleum Hydrocarbons and Diffusion Across a Porous Medium: A Column Experiment

The study focuses on the effect of volatilization, diffusion, and biodegradation on the isotope evolution of volatile organic compounds (VOCs) in a 1.06 m long column filled with alluvial sand. A liquid mixture of 10 VOCs was placed at one end of the column, and measurements of VOC vapor concentrations and compound-specific isotope ratios (delta(13)C) were performed at the source and along the column. Initially, the compounds became depleted in 13C by up to -4.8% per hundred along the column axis, until at 26 h, uniform isotope profiles were observed for most compounds, which is expected for steady-state diffusion. Subsequently, several compounds (n-pentane, benzene, n-hexane) became enriched in 13C throughout the column. For the same compounds, a significant decrease in the source vapor concentration and a gradual enrichment of 13C by up to 5.3% per hundred at the source over a period of 336 h was observed. This trend can be explained by a larger diffusive mass flux for molecules with light isotopes compared to those with a heavy isotope, which leads to a depletion of light isotopes in the source. The isotope evolution of the source followed closely a Rayleigh trend and the obtained isotope enrichment factor corresponded well to the ratio between the diffusion coefficients for heavy and light molecules as expected based on theory. In contrastto diffusion, biodegradation had generally only a small effect on the isotope profiles, which is expected because in a diffusion-controlled system the isotope shift per decrease of mass flux is smaller than in an advection-controlled system. These findings open interesting perspectives for monitoring source depletion with isotope and have implications for assessing biodegradation and source variability in the unsaturated zone based on isotopes.

PYROLYSIS OF SUNNYSIDE (UTAH) TAR SAND: CHARACTERIZATION OF VOLATILE COMPOUND EVOLUTION

ABSTRACT Sunnyside (Utah) tar sand was subjected to programmed temperature pyrolysis and the volatile products were detected by tandem on-line mass spectrometry (MS/MS) in real time analyses. A heating rate of 4°C/min from room temperature to 900°C was employed. Evolution of hydrogen, light hydrocarbons, nitrogen-, sulfur-, and oxygen-containing compounds was monitored by MS or MS/MS detection. Evolution of volatile organic compounds occurred in two regimes: 1) low temperature (maximum evolution at 150 to 175°C), corresponding to entrained organics, and 2) high temperature (maximum evolution at 440 to 460°C), corresponding to cracking of large organic components. Alkanes and alkenes of two carbons and higher had temperatures of maximum evolution at approximately 440°C, and methane at approximately 474°C. Aromatic hydrocarbons had temperatures of maximum evolution slightly higher, at approximately 450° C. Some nitrogen-, sulfur-, and oxygen-'ccntaining compounds were also detected in the volatile products....