Search Results (339)

Twenty years of MODIS satellite data (2002–2022), TROPOMI glyoxal observations (2018–2022), and ground-based isoprene measurements were used to examine vegetation greenness (NDVI) and atmospheric glyoxal over Houston, Texas. Biogenically produced glyoxal grew by 51% between 2018 and 2022, despite a 2% per decade decrease in summer vegetation greenness and continued urbanization. Ambient mixing ratios of isoprene, the main biogenic glyoxal precursor, paradoxically dropped by 14% within the same time frame. Temperature (+0.68 °C/year), ozone (+28%), and photochemical oxidants all significantly increased over this time, according to analysis of concurrent environmental data. The results indicate that higher temperature-driven isoprene emissions (+35%) and accelerated photochemical oxidation (+10%) overcame the declining vegetation signal, resulting in net increases in atmospheric glyoxal. This suggests that Houston’s remaining flora is experiencing temperature-driven changes in biogenic volatile organic compound (VOC) emissions per unit area, even while its greenness has reduced. Full article

The study investigates the influence of a hybrid filler system based on carbon black, silica (SiO₂) and shungite from the Bakyrchik deposit on the curing behavior of rubber compounds as well as on the physical–mechanical properties and thermal stability of vulcanizates based on a blend of butadiene-alpha-methylstyrene and isoprene rubbers. The morphology and elemental composition of shungite were examined using SEM-EDS analysis. Thermogravimetric analysis of shungite was also performed. The introduction of shungite led to a decrease in Mooney viscosity and an increase in scorch time. Rubber composites containing 10–20 phr (parts per hundred rubber) of shungite exhibited a satisfactory balance between the processing properties of the rubber compounds and the physical–mechanical properties of the vulcanizates (tensile strength, elongation at break, and rebound resiliency), which makes them promising for practical application. When 10 phr of shungite was added, the tensile strength of the rubber composites after thermal aging remained at the level of the control sample, while the changes in elongation at break, rebound resilience, and hardness were less pronounced than in the control. Full article

Isoprene (C₅H₈), the most abundant biogenic volatile organic compound (400–600 Tg C yr⁻¹), exerts complex NO_x-dependent influence on tropospheric ozone, yet its representation remains absent in many climate models. This study aims to quantify isoprene’s impact on tropospheric chemical composition using the Russian Earth system model INM-CM6.0 with newly implemented isoprene oxidation chemistry. Two 12-year experiments (2008–2019) were conducted: a control run without isoprene and an experiment with the Mainz Isoprene Mechanism (MIM1: 44 reactions, 16 species). Results reveal a NO_x-dependent two-layer vertical structure. In the tropical surface layer (0–5 km, 20° S–20° N), ozone decreases by 10–15 ppb through radical termination under low-NO_x (<100 ppt), with 15–30% OH reduction and 30–60% CO increase. In the middle troposphere (8–12 km), ozone increases by 10–15 ppb through thermal decomposition of vertically transported PAN and MPAN. In subtropics (20–35°) with elevated NO_x (>500 ppt), isoprene stimulates ozone formation at all altitudes (+3–12 ppb). Oxidation product distributions establish a spatial hierarchy: local (ISON, NALD: 0–5 km), regional (MPAN: to 8 km), and global (PAN: reaching high latitudes at 8–12 km). Comparison with CAMS, MERRA-2, and ERA5 reanalyses shows substantial improvement: tropical CO discrepancies decrease from 20–30% to 10–15%, OH by factors of 2–3, and ozone overestimation from 30–40% to 10–15%. These findings demonstrate that explicit isoprene chemistry is essential for accurate tropospheric composition simulation, particularly given the projected 21–57% emission increases by 2100 under climate warming. Full article

Gas sensors provide versatile opportunities for detecting volatile organic compounds (VOCs) such as acetone, methanol, ethanol, propanol, isoprene, and aldehydes in exhaled breath (EB) associated with COVID-19 respiratory infections. These VOCs provide valuable information about metabolic markers linked with COVID-19. They have opened opportunities to develop sensors for COVID-19 screening based on breath analysis. These sensors have the potential to provide the rapid detection of viruses in healthcare settings. RT-PCR, as a conventionally adopted diagnostic method, has a detection limit around 10–100 RNA copies/mL, with an accuracy of around 95%. Gas sensors have demonstrated VOC detection limits at the ppm level in COVID-19 EB and have displayed a sensitivity and specificity of 98.2% and 74.3%, respectively. Multiple gas sensors combined with machine learning algorithms have the potential to enhance the specificity of VOC detection. In addition to having an accuracy similar to that of the PCR method, the VOC-based diagnosis of COVID-19 offers unique advantages in terms of non-invasive and rapid detection. This review provides an overview of state-of-the-art gas sensors developed for COVID-19 detection. Despite there being significant developments in this field, there are certain challenges that still need to be addressed—these include the impact of environmental factors, the specificity of detection, the sensing range, and precision limitations, leading to accuracy issues. Despite these existing challenges, the integration of gas sensors with machine learning methods can enhance the accuracy of the detection of COVID-19. Future research directions are proposed to validate and standardize the application of gas sensors for COVID-19 in clinical settings. Full article

The surface morphology of high molecular weight poly(styrene-b-isoprene) block copolymer was analyzed after chemical modification. Poly(styrene-b-isoprene) was converted into poly(styrene-b-(ethylene-alt-propylene)) by hydrogenation and into poly(styrene-b-sulfonated isoprene) by mild sulfonation of the PI block. Obtained morphologies were examined by atomic force microscopy, analyzing the effect of sample preparation parameters such as solvent (tetrahydrofuran, toluene, and cyclohexane), casting technique (spin casting and drop casting), and annealing temperature [room temperature, 80, 100, and 120 °C]. Significant morphological and topographical changes were found depending on the different parameters. Each modification step introduces new variables that can affect the final structure and properties of the copolymer. Finding the balance between solvent choice, casting technique, and annealing conditions was a difficult task and required extensive experimentation and understanding of the principles of block copolymer self-assembly. Full article

Soil water availability and nitrogen (N) deposition critically influence biogenic volatile organic compound (BVOC) emissions, thereby affecting atmospheric chemistry. However, their differential short- and long-term effects remain unclear. Here, Ormosia pinnata and Pinus massoniana seedlings were exposed to three water regimes (moderate drought, MD; normal irrigation, NI; near-saturated irrigation, NSI) and two nitrogen (N0; 0 kg N ha⁻¹ yr⁻¹; N80; 80 kg N ha⁻¹ yr⁻¹) treatments for 20 months. Branch-level BVOC emissions and leaf physiological and biochemical traits were examined after 8 months (short term) and 16 months (long term). In the short term, P. massoniana predominantly emitted α-pinene, β-pinene, and γ-terpinene, whereas O. pinnata emitted isoprene (ISO). After prolonged exposure, ISO became the dominant in both species. Short-term MD and NSI conditions stimulated ISO emissions in O. pinnata, with N80 addition further amplifying this effect. In contrast, long-term treatments tended to suppress ISO emissions in O. pinnata, particularly under N80. Short-term water treatments had no significant effect on monoterpene (MT) emissions in P. massoniana. Under long-term water treatments, N80 suppressed ISO emissions; nevertheless, ISO emission rates (ISOrate) progressively increased with increasing soil water availability. Although leaf intercellular CO₂ concentration (Ci), stomatal conductance (g_s), and photosynthesis-related enzymes exhibited partial correlations with BVOC emissions, an overall decoupling between leaf traits and emission patterns was evident. Our findings demonstrate the significant changes in both BVOC composition and emission magnitudes under the joint effects of water availability and nitrogen deposition, providing important implications for improving regional air quality modeling and BVOC emission predictions. Full article

Terpenes are the largest category of specialised metabolites. Aerobic endospore-forming bacteria (AEFB), a diverse group of microorganisms, can thrive in various habitats and produce specialised metabolites, including terpenes. This study investigates the potential for terpene biosynthesis in 10 AEFB strain whole-genome sequences by performing a bioinformatics analyses to identify genes associated with these isoprene biosynthesis pathways. Specifically, we focused on the sequences coding for enzymes in the methylerythritol-phosphate (MEP) pathway and the polyprenyl synthase family, which play crucial roles in synthesising terpene precursors together with terpene synthases. A comparative analysis revealed the unique genetic architecture of these biosynthetic gene clusters (BGCs). Our results indicated that some strains possessed the complete genetic machinery required to produce terpenes such as squalene, hopanoids, and carotenoids. We also reconstructed phylogenetic trees based on the amino acid sequences of terpene synthases, which aligned with the phylogenetic relationships inferred from the whole-genome sequences, suggesting that the production of terpenes is an ancestor property in AEFB. Our findings highlight the importance of genome mining as a powerful tool for discovering new biological activities. Furthermore, this research lays the groundwork for future investigations to enhance our understanding of terpene biosynthesis in AEFB and the potential applications of these Brazilian environmental strains. Full article

Isoprene, the most abundant endogenous hydrocarbon in human breath, is a promising biomarker for metabolic and cardiovascular diseases. In this paper, we present the detection of isoprene in exhaled breath using the off-beam Quartz-Enhanced Photoacoustic Spectroscopy (QEPAS) method. The sensor employs a homemade quantum cascade laser emitting at 11.03 μm. We use numerical simulations to evaluate the impact of interfering gases (CO₂ and H₂O) and optimize the laser modulation parameters. The limit of detection reached for 1 s acquisition time is close to 220 parts per billion in volume (ppbv) with a normalized noise equivalent absorption (NNEA) of $1.1\times {10}^{-8}{\mathrm{cm}}^{-1}·\mathrm{W}·{\mathrm{Hz}}^{-1/2}$. Breath measurements conducted on healthy volunteers reveal a significant increase in isoprene concentration from resting levels (~250–350 ppbv) to elevated levels (~450–650 ppbv) after moderate physical exercise. Full article

The growing demand for air connectivity, coupled with the forecasted increase in passengers by 2040, implies an exigency in the aviation sector to adopt sustainable approaches for net zero emission by 2050. Sustainable Aviation Fuel (SAF) is currently the most promising short-term solution; however, ensuring its overall sustainability depends on reducing the life cycle carbon footprints. A key challenge prevails in hydrogen usage as a reactant for the approved ASTM routes of SAF. The processing, conversion and refinement of feed entailing hydrodeoxygenation (HDO), decarboxylation, hydrogenation, isomerisation and hydrocracking requires substantial hydrogen input. This hydrogen is sourced either in situ or ex situ, with the supply chain encompassing renewables or non-renewables origins. Addressing this hydrogen usage and recognising the emission implications thereof has therefore become a novel research priority. Aside from the preferred adoption of renewable water electrolysis to generate hydrogen, other promising pathways encompass hydrothermal gasification, biomass gasification (with or without carbon capture) and biomethane with steam methane reforming (with or without carbon capture) owing to the lower greenhouse emissions, the convincing status of the technology readiness level and the lower acidification potential. Equally imperative are measures for reducing hydrogen demand in SAF pathways. Strategies involve identifying the appropriate catalyst (monometallic and bimetallic sulphide catalyst), increasing the catalyst life in the deoxygenation process, deploying low-cost iso-propanol (hydrogen donor), developing the aerobic fermentation of sugar to 1,4 dimethyl cyclooctane with the intermediate formation of isoprene and advancing aqueous phase reforming or single-stage hydro processing. Other supportive alternatives include implementing the catalytic and co-pyrolysis of waste oil with solid feedstocks and selecting highly saturated feedstock. Thus, future progress demands coordinated innovation and research endeavours to bolster the seamless integration of the cutting-edge hydrogen production processes with the SAF infrastructure. Rigorous techno-economic and life cycle assessments, alongside technological breakthroughs and biomass characterisation, are indispensable for ensuring scalability and sustainability. Full article

In this work, general purpose rubber composites were created based on a mixture of non-polar cis-1,4-isoprene rubber and cis-1,4-divinyl rubber as components. The main filler used was carbon black, while various graphite-like materials (graphite oxide, reduced graphite oxide, expanded graphite, and graphite nanoplatelets) served as additives. It was determined that the addition of these graphite-like materials resulted in a reduction in Mooney viscosity, with the introduction of graphene nanoplatelets having the most significant effect, contributing to a viscosity decrease of 8.5%. The relaxation rate increased, positively impacting elastic recovery and consequently reducing shrinkage. The introduction of graphite oxide, graphite nanoplatelets, and expanded graphite also increased the time to the onset of the vulcanization reaction; moreover, these additives lengthened the time needed to reach the optimum level of vulcanization. The addition of various graphite-like materials significantly affected the elongation at break, with the highest increase attributable to the addition of expanded graphite and reduced graphite oxide. It was found that the conditional tensile strength of these additives had little effect. Upon assessing the elastic-strength properties after aging, it was found that the inclusion of graphite-like materials reduced the elongation at break. Full article

An analysis was conducted to investigate how reaction system turbulence affects the butadiene-isoprene copolymerization in the presence of the TiCl₄ + Al(i-Bu)₃ catalytic system. A model was developed, which integrates CFD simulations of TiCl₄ + Al(i-Bu)₃ particle breakage based on population balance equations with the kinetic modeling of the butadiene-isoprene copolymerization. It was established that an increase in turbulent kinetic energy leads to a reduction in catalyst particle size, an increase in active site concentration, an acceleration of the copolymerization process, and a decrease in the average molecular weights of the copolymer. Furthermore, catalytic activity correlates with both the average and maximum values of turbulent kinetic energy in the reaction system, whereas the effect of the average residence time of catalytic particles under turbulent conditions is insignificant. Based on these results, recommendations were provided for optimizing the impact of reaction system turbulence on TiCl₄ + Al(i-Bu)₃ particles to enhance the butadiene-isoprene copolymerization rate and achieve precise control over the molecular weight characteristics of the copolymer. The findings of this study can be applied to optimize the synthesis technology of the cis-1,4 butadiene-isoprene copolymer, which is used in the production of frost-resistant rubber. Full article

Cardiovascular diseases are the primary cause of morbidity and mortality worldwide. The function and structure of blood vessels play a crucial role in the development and aggravation of these diseases. Natural products, such as aromatic plants, present a wide variety of terpenes content. Monoterpenes, a selected group of terpenes, have two building blocks of five-carbon isoprene (C₅H₈) unit. Moreover, different monoterpenes have shown pharmacological activity in the cardiovascular system, particularly in vascular function, which is mediated, at least in part, by modulating the nitric oxide pathway, oxidative stress, inflammation, and calcium signaling. Therefore, this review addresses the role of monoterpenes as pharmacological tools in the vascular system, providing mechanisms of action and their biological effects. Full article

Gas-phase chemistry has been identified as a major computational bottleneck in both the forward and adjoint modes of chemical transport models (CTMs). Although previous studies have demonstrated the potential of deep learning models to simulate and accelerate this process, few studies have examined the applicability and performance of these models in adjoint sensitivity analysis. In this study, a deep learning emulator for gas-phase chemistry is developed and trained on a diverse set of forward-mode simulations from the Community Multiscale Air Quality (CMAQ) model. The emulator employs a residual neural network (ResNet) architecture referred to as FiLM-ResNet, which integrates Feature-wise Linear Modulation (FiLM) layers to explicitly account for photochemical and non-photochemical conditions. Validation within a single timestep indicates that the emulator accurately predicts concentration changes for 74% of gas-phase species with coefficient of determination (R²) exceeding 0.999. After embedding the emulator into the CTM, multi-timestep simulation over one week shows close agreement with the numerical model. For the adjoint mode, we compute the sensitivities of ozone (O₃) with respect to O₃, nitric oxide (NO), nitrogen dioxide (NO₂), hydroxyl radical (OH) and isoprene (ISOP) using automatic differentiation, with the emulator-based adjoint results achieving a maximum R² of 0.995 in single timestep evaluations compared to the numerical adjoint sensitivities. A 24 h adjoint simulation reveals that the emulator maintains spatially consistent adjoint sensitivity distributions compared to the numerical model across most grid cells. In terms of computational efficiency, the emulator achieves speed-ups of 80×–130× in the forward mode and 45×–102× in the adjoint mode, depending on whether inference is executed on Central Processing Unit (CPU) or Graphics Processing Unit (GPU). These findings demonstrate that, once the emulator is accurately trained to reproduce forward-mode gas-phase chemistry, it can be effectively applied in adjoint sensitivity analysis. This approach offers a promising alternative approach to numerical adjoint frameworks in CTMs. Full article

Oxygenated volatile organic compounds (OVOCs) are key precursors to atmospheric ozone (O₃) and secondary organic aerosols (SOA). However, research on the sources of OVOCs is still limited, particularly in terms of multi-point observations at urban sites. This study conducted a one month continuous enhanced observation at an urban site (BA) and a suburban site (DP) in December 2024. During the study period, the average total VOCs concentration at the BA site was 29.9 ± 6.5 ppbv, significantly higher than that at the DP site (6.4 ± 1.3 ppbv). To enhance the representation of the biogenic fraction in OVOCs, isoprene was employed as a biogenic tracer; prior to source apportionment, its anthropogenic components were subtracted based on local emission ratio coefficients, thereby providing a more representative basis for biogenic source attribution. The optimized source apportionment results show that the contribution ratio of biogenic sources had decreased significantly, with a particularly noticeable decline at the urban site. Among these, the contribution rates of acetaldehyde and acetone had decreased significantly: by 14.7% and 12.2%, respectively. Based on the improved source apportionment method, the source apportionment of OVOCs at the urban site showed that methanol, acetone, and MEK were primarily dominated by anthropogenic primary sources (accounting for 44.5% to 68.5%), while acetaldehyde was primarily dominated by secondary anthropogenic generation (37.1%), indicating its key role as a photochemical product. In contrast, at the suburban site, the biogenic source contribution to acetaldehyde (37.8%) was significant. This difference highlights the necessity of optimizing biogenic source tracers and conducting OVOC source apportionment studies at multiple locations. Full article

In this work, a theoretical study of the isoprene polymerization process was carried out using a cis-stereospecific neodymium Ziegler–Natta catalyst. The results obtained allowed us to conclude that the main reasons for the formation of highly stereoregular cis-1,4-polyisoprene are the lower activation energy of the monomer addition process in the cis-conformation (~50 kJ/mol) and the low probability of anti-syn-isomerization of the terminal unit of the growing macrochain. It was shown that for asymmetric isoprene, the most probable is the formation of macromolecules in which the monomer units are added according to the “tail-to-head” type. Full article