Aromatic Hydrocarbons Research Articles

Biodegradation of Pharmaceutical Pollutants Using Fungal Enzyme

Abstract: The potential of filamentous fungi and their enzymes are investigated for bioremediating pharmaceutical pollutants from wastewater thereby addressing the growing concern of emerging pollutants in water resources. Among the various microorganisms, the current abstract discusses the role of fungi in degrading antibiotics and persistent pharmaceutical compounds. These fungi allow the biodegradation via the formation of highly oxidative hydroxyl radicals. It summarizes the role of both intra (cytochrome P450) and extracellular (laccase) enzyme systems for the bioremediation of emerging clinical pollutants. It emphasizes the importance of both biosorption and biodegradation for effective pollutant removal by breaking down pharmaceuticals (e.g. antibiotics) and other hazardous compounds (e.g. endocrine-disrupting compounds, polycyclic aromatic hydrocarbons). Although the enzymes CYP450 are not directly engaged, their metabolic pathways execute mechanisms such as oxidation, the formation of reactive intermediates, and chemical modification, all of which result in the degradation of clinical pollutants. Amongst all enzyme systems in the case of laccase which oxidise a wide spectrum of substrates, converts them to free radicals. Additionally, the role of recombinant enzyme production and transgenic strains for pollutant degradation has also been elaborated. These considerations emphasise the need for ongoing research and biotechnological advancements to address the growing concern of pharmaceuticals and personal care product pollutants in water systems.

Investigation of the Stability Mechanism of Stimulus-Responsive Wormlike Micelle-CO2 Foams in the Oil Phase.

Foam flooding is an important tool for reservoir development. This study aims to further investigate the interaction between stimulus-responsive wormlike micelle (WLM)-CO2 foams and crude oil. We performed micromorphology experiments as our major studies and used molecular dynamics simulations as an auxiliary tool for interfacial analysis. We utilized foam generation, liquid separation, and defoaming as the entry points of experimental research and energy as the quantitative assessment index to investigate the dynamic process of the action of different oil contents and oil phase types in a DOAPA@NaSal-H+ foam system. We also examined the role of NaSal in the generation and development of the foam system. Results indicated that the law of crude oil's effect on foam could be summarized as "low contents are beneficial and high contents are harmful." In addition, although the DOAPA@NaSal-H+ foam system has high compatibility for saturated and aromatic hydrocarbons, it is highly suitable for application in reservoir environments with relatively high asphaltene and resin contents. Through combined experimental and simulation approaches, we clarified the law governing the stability of the DOAPA@NaSal-H+ foam system in different oil-containing environments, identified the key role of NaSal, and provided a reference for the targeted application of the DOAPA@NaSal-H+ foam system in different oil reservoirs.

Numerical study on soot formation in ammonia/ethylene laminar counterflow diffusion flame

The ammonia addition can significantly inhibit soot formation in hydrocarbon fuel flames. However due to the complexity of the interaction between nitrogen and hydrocarbon, the inhibiting effect of NH3 addition on soot formation has not been fully understood yet. In this study, a mechanism is constructed through mechanism comparison, reduction and merging. The constructed mechanism includes ammonia, polycyclic aromatic hydrocarbons (PAHs) and nitrogen-containing aromatic compounds (NACs) sub-chemistry. Then the constructed mechanism is coupled with a soot model to conduct a series of simulations of ammonia/ethylene laminar counterflow flames with various ammonia doping ratios. The results show that the constructed model can reproduce the suppression effect of ammonia addition on soot formation well. To explain the chemical inhibiting effect, the rate of production (ROP) and reaction pathway are analyzed. It can be concluded that the main formation pathway of benzene is C2H4 → C2H3 → C2H2 → C3H3 → A1. The decomposition of ammonia consumes H radical which is necessary for the conversion of C2H4 to C2H3, leading to a decrease in the reaction rates along the benzene formation pathway. Moreover, the N-containing species react with the small hydrocarbon molecules/radicals to form hydrogen cyanide (HCN), in which the reaction between C2H2 and N radical is the largest contributor. Compared to the reactions between C1-C2 species and nitrogen-containing species, the reactions between C3 species and nitrogen-containing species contribute less to the chemical effect of NH3 addition. All these reactions reduce the carbon flux of the benzene formation path. In addition, the impact of reactions between HCN and aromatic hydrocarbons which produce NACs is also investigated. The reactions of HCN addition to benzene and naphthalene compete with the C2H2 addition reactions, resulting in a slightly enhanced inhibiting effect of ammonia addition on soot formation.

Diesel particulate matter permeation into normal human skin and intervention using a topical ceramide formulation.

Diesel particulate matter (DPM) emitted from diesel engines is a major source of air pollutants. DPM is composed of elemental carbon, which adsorbs organic compounds including toxic polycyclic aromatic hydrocarbons (PAH). The skin, as well as airways, are directly exposed to DPM, and association of atopic dermatitis, psoriasis flares, and premature skin aging with air pollutant levels has been documented. In skin, the permeation of DPM and DPM-adsorbed compounds is primarily blocked by the epidermal permeability barrier deployed in the stratum corneum. Depending upon the integrity of this barrier, certain amounts of DPM and DPM-adsorbed compounds can permeate into the skin. However, this permeation into human skin has not been completely elucidated. We assessed the permeation of PAHs (adsorbed to DPM) into skin using ex vivo normal (barrier-competent) organ-cultured human skin after application of DPM. Two major PAHs, 2-methylnaphthalene and triphenylene, and a carcinogenic polycyclic aromatic hydrocarbon (PAH), benzo(a)pyrene, all found in DPM, were measured in the epidermis and dermis using liquid chromatography electrospray ionization tandem mass spectrometry. In addition, we investigated whether a topical formulation can attenuate the permeation of DPM into skin. 2-methylnaphthalene, triphenylene and benzo(a)pyrene were recovered from the epidermis. Although these PAH were also detected in the dermis after DPM application, these PAH levels were significantly lower than those found in the epidermis. We also demonstrated that a topical formulation that has the ability to form more uniform membrane structures can significantly suppress the permeation of PAH adsorbed to DPMs into the skin. Toxic compounds adsorbed by DPM can permeate even barrier-competent skin. Hence, barrier-compromised skin, such as in atopic dermatitis, psoriasis and xerosis, is even more vulnerable to air pollutants. A properly formulated topical mixture that forms certain membrane structures on the skin surface can effectively prevent permeation of exogenous substances, including DPM, into skin.

Exploring the chemical dynamics of phenanthrene (C14H10) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C6H5CC) with benzene (C6H6).

The exploration of the fundamental formation mechanisms of polycyclic aromatic hydrocarbons (PAHs) is crucial for the understanding of molecular mass growth processes leading to two- and three-dimensional carbonaceous nanostructures (nanosheets, graphenes, nanotubes, buckyballs) in extraterrestrial environments (circumstellar envelopes, planetary nebulae, molecular clouds) and combustion systems. While key studies have been conducted exploiting traditional, high-temperature mechanisms such as the hydrogen abstraction-acetylene addition (HACA) and phenyl addition-dehydrocyclization (PAC) pathways, the complexity of extreme environments highlights the necessity of investigating chemically diverse mass growth reaction mechanisms leading to PAHs. Employing the crossed molecular beams technique coupled with electronic structure calculations, we report on the gas-phase synthesis of phenanthrene (C14H10)-a three-ring, 14π benzenoid PAH-via a phenylethynyl addition-cyclization-aromatization mechanism, featuring bimolecular reactions of the phenylethynyl radical (C6H5CC, X2A1) with benzene (C6H6) under single collision conditions. The dynamics involve a phenylethynyl radical addition to benzene without entrance barrier leading eventually to phenanthrene via indirect scattering dynamics through C14H11 intermediates. The barrierless nature of reaction allows rapid access to phenanthrene in low-temperature environments such as cold molecular clouds which can reach temperatures as low as 10 K. This mechanism constitutes a unique, low-temperature framework for the formation of PAHs as building blocks in molecular mass growth processes to carbonaceous nanostructures in extraterrestrial environments thus affording critical insight into the low-temperature hydrocarbon chemistry in our universe.

Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony‐Carbon Protonolysis

The selective formation of antimony‐carbon bonds via organic superbase catalysis under metal‐ and salt‐free conditions is reported. This novel approach utilizes electron‐deficient stibine, Sb(C6F5)3, to give upon base‐catalyzed reactions with weakly acidic aromatic and heteroaromatic hydrocarbons access to a range of new aromatic and heteroaromatic stibines, respectively, with loss of C6HF5. Also, the significantly less electron‐deficient stibines, Ph2SbC6F5 and PhSb(C6F5)2 smoothly underwent base‐catalyzed exchange reactions with a range of terminal alkynes to generate the stibines of formulae PhSb(C≡CPh)2, and Ph2SbC≡CR [R = C6H5, C6H4‐NO2, COOEt, CH2Cl, CH2NEt2, CH2OSiMe3, Sb(C6H5)2], respectively. These formal substitution reactions proceed with high selectivity as only the C6F5 groups serve as a leaving group to be liberated as C6HF5 upon formal proton transfer from the alkyne. Kinetic studies of the base‐catalyzed reaction of Ph2SbC6F5 with phenyl acetylene to form Ph2SbC≡CPh and C6HF5 suggested the empirical rate law to exhibit a first‐order dependence with respect to the base catalyst, alkyne and stibine. DFT calculations support a pathway proceeding via a concerted σ‐bond metathesis transition state, where the base catalyst activates the Sb‐C6F5 bond sequence through secondary bond interactions.

Facile Access to Organostibines via Selective Organic Superbase Catalyzed Antimony-Carbon Protonolysis.

The selective formation of antimony-carbon bonds via organic superbase catalysis under metal- and salt-free conditions is reported. This novel approach utilizes electron-deficient stibine, Sb(C6F5)3, to give upon base-catalyzed reactions with weakly acidic aromatic and heteroaromatic hydrocarbons access to a range of new aromatic and heteroaromatic stibines, respectively, with loss of C6HF5. Also, the significantly less electron-deficient stibines, Ph2SbC6F5 and PhSb(C6F5)2 smoothly underwent base-catalyzed exchange reactions with a range of terminal alkynes to generate the stibines of formulae PhSb(C≡CPh)2, and Ph2SbC≡CR [R = C6H5, C6H4-NO2, COOEt, CH2Cl, CH2NEt2, CH2OSiMe3, Sb(C6H5)2], respectively. These formal substitution reactions proceed with high selectivity as only the C6F5 groups serve as a leaving group to be liberated as C6HF5 upon formal proton transfer from the alkyne. Kinetic studies of the base-catalyzed reaction of Ph2SbC6F5 with phenyl acetylene to form Ph2SbC≡CPh and C6HF5 suggested the empirical rate law to exhibit a first-order dependence with respect to the base catalyst, alkyne and stibine. DFT calculations support a pathway proceeding via a concerted σ-bond metathesis transition state, where the base catalyst activates the Sb-C6F5 bond sequence through secondary bond interactions.

Exploring the Immunomodulatory Potential of Human Milk: Aryl Hydrocarbon Receptor Activation and Its Impact on Neonatal Gut Health

Several metabolites of the essential amino acid tryptophan have emerged as key players in gut homeostasis through different cellular pathways, particularly through metabolites which can activate the aryl hydrocarbon receptor (AHR). This study aimed to map the metabolism of tryptophan in early life and investigate the effects of specific metabolites on epithelial cells and barrier integrity. Twenty-one tryptophan metabolites were measured in the feces of full-term and preterm neonates as well as in human milk and formula. The ability of specific AHR metabolites to regulate cytokine-induced IL8 expression and maintain barrier integrity was assessed in Caco2 cells and human fetal organoids (HFOs). Overall, higher concentrations of tryptophan metabolites were measured in the feces of full-term neonates compared to those of preterm ones. Within AHR metabolites, indole-3-lactic acid (ILA) was significantly higher in the feces of full-term neonates. Human milk contained different levels of several tryptophan metabolites compared to formula. Particularly, within the AHR metabolites, indole-3-sulfate (I3S) and indole-3-acetic acid (IAA) were significantly higher compared to formula. Fecal-derived ILA and milk-derived IAA were capable of reducing TNFα-induced IL8 expression in Caco2 cells and HFOs in an AHR-dependent manner. Furthermore, fecal-derived ILA and milk-derived IAA significantly reduced TNFα-induced barrier disruption in HFOs.

Preparation and post-modified of dicationic ionic liquid stationary phase and their application in mixed-mode liquid chromatography

This work prepared two dicationic ionic liquid stationary phases for mixed-mode chromatography via thioe-ene click reaction, one of which was post-modified by p-tolyl isocyanate. The successful synthesis of two stationary phases was demonstrated by several characterizations. The separation of a wide range of substances, including nucleosides and bases, alkylbenzene, polycyclic aromatic hydrocarbons, anilines, phenols, inorganic anions and organic acids, shows that homemade stationary phases can not only be applie to RPLC/HILIC/IEC mixed-mode chromatography, but also has better separation selectivity than commercial column. Therefore, the post-modification of p-tolyl isocyanate can greatly improve the separation effect in RPLC mode, which proves that this modification method is of research significance. The retention mechanisms of two stationary phases were investigated by varying the chromatographic conditions and linear solvation energy relationships (LSER). In addition, the stationary phase is able to detect preservatives in foods quickly and accurately. In actual sample testing, the limit of detection ≤ 0.074mg·L−1 and the inter-day precision was not more than 3.33 %.

The Significance of Processing Techniques on the Quality of Smoked African Cat Fish (Clarias gariepinus) Using Different Energy Sources

There is unavoidable need for fish smoking as a preservative technique to reduce rampant post harvest losses in the tropical Africa. However the imperative of healthier and quality smoked products through improved processing method were however investigated. Organoleptic and chemical assessment of African catfish collected from a reputable fish farm in Ogbomoso, Oyo state Nigeria was carried out. Eviscerated and non-eviserated fish samples were smoked using four different smoke sources: Gmelina (Gmnelina arborea), Parkia (Parkia biglobosa), Neem (Azadirachita indica) and charcoal. Overall acceptability was based on 5-point Hedonic scale (excellent (5) - poor (1). Chemical test was on Polycyclic Aromatic Hydrocarbon contents (benzo(a)pyrene, Fluoranthene, Napthalene, Acenapthalene, Chrysene and Benzo(ghi) perylene). Data were subjected to one way Analysis of Variance (ANOVA) using general linear mode (GLM) of Factorial Experimental Design and means were separated by Duncan’s multiple range tests (P<0.05). Non- eviscerated smoked African catfish samples had lower scores for colour than eviscerated smoked samples for energy sources used. Eviscerated samples had mean scores of 4.64, 3.91, 3.36 and 2.82 for charcoal, Gmelina, Neem and Parkia smoked samples respectively, much better than scores of 4.36, 2.46, 2.36 and 2.27 obtained for non-eviscerated samples. Total concentrations of polycyclic aromatic hydrocarbons (PAH) were highest in samples produced using Gmelina as smoke source and Neem for eviscerated (15.25 µg/kg) and non-eviscerated (29.43 µg/kg) samples respectively. Evisceration of fish prior to smoking enhances its sensory characteristics however; concentrations of PAHs for both eviscerated and non-eviscerated fish samples were within the recommended international standard limit.

Exploring the scaling factors for infrared modes of PANHs - A case study on cationic 3-Azafluoranthene.+ and protonated 3-Azafluoranthene.

Infrared (IR) emission bands by interstellar Polycyclic Aromatic Hydrocarbons (PAHs) and Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are observed towards a large variety of interstellar objects and offer detailed insights into the chemistry and physics of the interstellar medium. The analysis of the emission bands, and thus the interpretation of the molecular characteristics of the carriers, heavily relies on the use of density functional theory (DFT) calculated IR spectra. However, there are significant challenges in accurately predicting the experimental IR band positions, particularly for PANH emission vibrational modes around 6 mm. In this work, we present gas-phase mid-infrared (mid-IR) spectra of cationic 3-azafluoranthene (3AF.+) and protonated 3-azafluoranthene (3AFH+) to investigate their experimental IR band positions in relation to DFT calculated bands. The experimental spectra are compared to DFT simulated spectra, where different approaches were followed to correct for anharmonicities. The best agreement is achieved by scaling frequencies of modes with large nitrogen displacements with a different factor. Even though our findings might be limited to a small number of PANH structures, they indicate, that nitrogen atom incorporation needs to be accounted for by carefully adjusting the corresponding scaling factors while computing IR spectra of PANHs on DFT level.

Analysis Study of Available Alternatives for Mitigation of Aromatic Hydrocarbon Emissions from a Glycol Dehydration Unit

A natural gas (NG) dehydration unit based on glycol absorption is considered one of the most important gas processing units, aiming to decrease water content and consequently adjust its dew point. However, during this process, not only water is absorbed by the glycol solvent, but also some aromatic compounds, including benzene, toluene, ethylbenzene, and xylene (BTEX), in addition to volatile organic compounds (VOC), are absorbed. These compounds are released during glycol regeneration into the atmosphere, resulting in environmental pollution and consequent catastrophic mental and physical health problems. This study aims to minimize BTEX emissions while ensuring efficient dew point control. Various strategies have been adopted to control BTEX emissions, but the present work focuses on optimizing operating conditions and investigating the influence of operational variables on BTEX emissions, as well as NG water content. LINGO optimization software and HYSYS (version 11) are used to find the plant’s optimum conditions for minimizing BTEX emissions and satisfying efficient dew point control. Simulation results show that stripping gas, triethylene glycol (TEG) circulation rate, and inlet feed gas temperature significantly affect BTEX emissions. The proposed optimum operating conditions in this work resulted in a reduction in BTEX emissions by about 81% while satisfying the required NG dew point. Furthermore, two quadratic equations are developed based on regression analysis for efficient calculation of the BTEX emissions and water dew point at any operational variables.

Eco-Friendly Inorganic Binders: A Key Alternative for Reducing Harmful Emissions in Molding and Core-Making Technologies

Many years of foundry practice and much more accurate analytical methods have shown that sands with organic binders, in addition to their many technological advantages, pose risks associated with the emission of many compounds, including harmful ones (e.g., formaldehyde, phenol, benzene, polycyclic aromatic hydrocarbons, and sulfur), arising during the pouring of liquid casting alloys into molds, their cooling, and knock-out. The aim of this research is to demonstrate the potential benefits of adopting inorganic binders in European iron foundries. This will improve the environmental and working conditions by introducing cleaner and more ecological production methods, while also ranking the tested binders studied in terms of their harmful content. The article pays special attention to the analysis of seven innovative inorganic binders and one organic binder, acting as a reference for emissions of gases from the BTEX (benzene, toluene, ethylbenzene, and xylenes) and PAHs (polycyclic aromatic hydrocarbons) groups and other compounds such as phenol, formaldehyde, and isocyanates (MDI and TDI) generated during the mold pouring process with liquid metals. The knowledge gained will, for the first time, enrich the database needed to update the Reference Document on The Best Available Techniques for the Smitheries and Foundries Industry (SF BREF).

Source identification of polycyclic aromatic hydrocarbons (PAHs) in soils around crude oil contaminated area in Ohaji/Egbema, Imo State

ABSTRACT This study aims to determine the source of polycyclic aromatic hydrocarbons (PAHs) in the soils surrounding an area in Ohaji/Egbema, Imo State, that has been contaminated by crude oil. Soil samples were collected in the study area using a soil auger at a depth of 0–20 cm at three sampling locations (sample A, sample B, and sample C) in the Mmahu community in Ohaji/Egbema. In each of the sampling locations, twenty sub-samples were collected from twenty sampling points and pooled together to form representative samples for each of the sampling locations. Prior to GC-MS analysis, the composite samples were air-dried, sieved through a 2-mm mesh, and then kept in pet bottles that had been previously cleaned. The GC-MS investigations were carried out using a Shimadzu Model 2010 GC-MS (Shimadzu, Japan) fitted with an HP-5 MS fused silica column. This was used to quantify the 16 USEPA priority PAHs in the studied soils. The sum of the 16 USEPA priority PAHs in the sample locations ranged from 0.0192 mg/kg in the control sample to 10.73 mg/kg in sample A. Compared to high molecular weight PAHs (4–6 rings), the total concentration of low molecular weight PAHs (2–3 rings) was found to be substantially greater. According to the PAH molecular diagnostic ratio, all sampling points had low to high molecular mass ratios >1, which suggests that the origin of the PAH contamination was petrogenic. The petrogenic source of contamination was attributed to oil spillage around the study area. The knowledge of source identification of PAHs in soils helps in the determination of the most appropriate remediation strategy in order to prevent further contamination and minimise the risks to human health and the environment.

P05 The aryl hydrocarbon receptor pathway is dysfunctional in atopic dermatitis

Abstract Introduction and aims Atopic dermatitis (AD) is a chronic inflammatory skin disease characterized by epidermal barrier disruption and type-2 immune dysregulation. While treatment has improved with targeted biologics, clinical response varies, highlighting the need for additional therapeutic strategies. The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor and environmental sensor, which maintains skin barrier integrity and homeostasis by reducing inflammation. Upon activation, AHR induces the expression of CYP1A1, a biomarker of pathway activation and critical for AHR ligand metabolism. Tapinarof, a topical AHR agonist, is approved for psoriasis and is effective in phase III clinical trials in AD, highlighting the importance of this pathway in inflammatory skin disease. Nevertheless, AHR expression is increased in AD skin, leading to the hypothesis that the pathway is dysregulated, thus not exerting its anti-inflammatory effect. Methods Here we begin to perform a global investigation of the AHR pathway in AD. We measured AHR and CYP1A1 mRNA expression by quantitative real-time reverse-transcription polymerase chain reaction (qRT-PCR) in healthy and AD skin, with spatial mRNA expression assessed by RNAscope. We also investigated AHR mRNA expression in interleukin (IL)-4 stimulated (100 ng mL−1) normal human epidermal keratinocytes (NHEKs) using qRT-PCR. Results We found that AHR mRNA is significantly upregulated in lesional AD (n = 6) compared with healthy skin (n = 9; P < 0.05), whereas CYP1A1 mRNA expression shows a downward trend in lesional AD compared with healthy skin (P = 0.063). The AHR expression pattern differs in lesional AD (n = 7) compared with healthy skin (n = 8), with AHR localizing in the epidermal basal layer. Finally, IL-4 significantly upregulated AHR mRNA (n = 4 wells; P < 0.001) expression in NHEKs compared with unstimulated cells. Conclusions Overall, our data have uncovered a dysfunctional AHR pathway in AD, with increased AHR expression, possibly driven by the AD inflammatory milieu, but reduced pathway activation. Further investigations are required to fully dissect this pathway and maximize its potential as a therapeutic target for AD.

Water Quality and the First-Flush Effect in Roof-Based Rainwater Harvesting, Part II: First Flush

Rainwater runoff samples from a range of roofing materials were temporally collected from 19 small-scale roof structures and two commercial buildings through simulated and actual storm events, and the concentrations of polycyclic aromatic hydrocarbons (PAHs), phosphorus flame retardants (PFLs), and pyrethroid insecticides and other water quality parameters were analyzed. In Part I of this research, the concentrations of these contaminants in roof runoff and soils receiving runoff from a range of roofing materials were evaluated. In Part II, recommendations have been developed for a first-flush exclusion to improve the quality of water harvesting for nonpotable uses. Recommendations focus on a first-flush diversion based on mass removals of total suspended solids (TSS) and PAHs linked to conductivity measurements throughout a storm event. Additionally, an upper-confidence limit (UCL) was constructed to determine the minimum diversion required to obtain 50, 75, 90, and 95% mass removal of TSS and PAH contaminants. The majority of TSS were produced during the initial 1.2 mm of runoff. Likewise, the majority of PAHs were removed during the initial 1.2 mm of runoff, except for the asphalt shingle roofs, where high PAHs were observed after 6 mm of runoff. The Texas Water Development Board (TWDB)-recommended first-flush diversion of one gallon for every 100 square feet of rooftop was not always adequate for removing 50% of TSS and PAHs from the roofs. Rainwater runoff conductivity decreased drastically between 1.2 to 2.4 mm of rainwater runoff. Diverting the first flush based on conductivity has the potential to also divert the majority of TSS and PAHs in roof runoff.

The significance of structural components of lignocellulosic biomass on volatile organic compounds presence on biochar - a review

AbstractThe product of thermochemical processing of lignocellulosic biomass is biochar. It has a range of properties that make it suitable for a variety of economic applications. However, during pyrolysis and torrefaction, volatile organic compounds (VOCs) are released and may redeposit on the surface of the biochar. Some of these compounds may be harmful to the environment and humans. Bibliometric study shows that, to date, studies on the release of VOCs from biochar have been of an inventory nature and concerned with specific case studies of the specific types of biomass. To date, there has been no comprehensive and systematic analysis of the influence of lignocellulosic biomass properties and pyrolysis/torrefaction process parameters on VOC formation and redeposition on biochar. In this paper, the analysis is presented of the potential harmfulness of VOCs released during the thermochemical processing of lignocellulosic biomass components, based on cellulose, hemicellulose, and lignin pyrolysis/torrefaction chemistry data. 10 volatile organic compounds from cellulose, hemicellulose, and lignin pyrolysis were identified as potentially harmful due to the following properties: carcinogenicity, toxicity, flammability, skin corrosion/irritation, eye irritation, and mutagenicity, with different degrees of harmfulness. Additionally, the VOCs identified on biochar samples show a potential hazard. Among 140 identified compounds, 33 of them had harmful properties. Therefore, the redeposition on biochar of ketones, aldehydes, cyclic and aromatic hydrocarbons including polyaromatic hydrocarbons, and their derivatives, esters, and furans may lead to environmental contamination due to their release from biochar. A new niche for systematic research on the development of new knowledge regarding the biochars produced from biomass as a source of pollutant emission has been identified.

Spirobifluorene Trimers : High Triplet Pure Hydrocarbon Hosts for Highly Efficient Blue Phosphorescent Organic Light‐Emitting Diodes.

Pure aromatic hydrocarbon materials (PHC) represent a new generation of host materials for phosphorescent OLEDs (PhOLEDs), free of heteroatoms. They reduce the molecular complexity, can be easily synthesized and are an important direction towards robust devices. As heteroatoms can be involved in bonds dissociations in operating OLEDs through exciton induced degradation process, developing novel PHCs appear particularly relevant for the future of this technology. In the present work, we report a series of extended PHCs constructed on the assembly of three spirobifluorene fragments. The resulting positional isomers present a high triplet energy level, a wide HOMO/LUMO difference and improved thermal and morphological properties compared to previously reported PHCs. These characteristics are beneficial for the next generation of host materials for PhOLEDs and provide relevant design guidelines. Used as host in blue‐emitting PhOLEDs, which are still the weakest link of the field, a very high EQE of 24 % and low threshold voltage of 3.56 V were obtained with a low‐efficiency roll‐off. This high performance strengthens the position of PHC strategy as an efficient alternative for OLED technology and opens the way to a more simple electronic.

Spirobifluorene Trimers : High Triplet Pure Hydrocarbon Hosts for Highly Efficient Blue Phosphorescent Organic Light-Emitting Diodes.

Pure aromatic hydrocarbon materials (PHC) represent a new generation of host materials for phosphorescent OLEDs (PhOLEDs), free of heteroatoms. They reduce the molecular complexity, can be easily synthesized and are an important direction towards robust devices. As heteroatoms can be involved in bonds dissociations in operating OLEDs through exciton induced degradation process, developing novel PHCs appear particularly relevant for the future of this technology. In the present work, we report a series of extended PHCs constructed on the assembly of three spirobifluorene fragments. The resulting positional isomers present a high triplet energy level, a wide HOMO/LUMO difference and improved thermal and morphological properties compared to previously reported PHCs. These characteristics are beneficial for the next generation of host materials for PhOLEDs and provide relevant design guidelines. Used as host in blue-emitting PhOLEDs, which are still the weakest link of the field, a very high EQE of 24 % and low threshold voltage of 3.56 V were obtained with a low-efficiency roll-off. This high performance strengthens the position of PHC strategy as an efficient alternative for OLED technology and opens the way to a more simple electronic.

Infrared Spectrum of the Pyrene Anion in the CH Stretching Region.

In this work, we report the infrared spectrum of the pyrene anion, measured using messenger tagging with up to three Ar atoms. We assign the spectrum using density functional theory and vibrational perturbation theory. We discuss our results in the context of computed and experimental spectra from the literature as well as recent observations from astronomical sources, addressing the question of whether polycyclic aromatic hydrocarbon anions could contribute to the strong infrared emission bands at 3.29 μm from carbon-rich regions of space.