Category: 191-07-1

Al-Haideri, Lina Majeed Haider published the artcileDFT calculations of structural and electronic features for mono and dual Pb-doped models of graphene, Recommanded Product: Coronene, the publication is Indian Journal of Physics (2022), 96(10), 2795-2800, database is CAplus.

Mono and dual lead (Pb)-doped models of graphene were investigated in this work by means of performing d. functional theory (DFT) calculations Coronene was considered in this work as a representative structure of graphene in a mol. scale. For dual Pb-doped models, two conformations of Cis and Trans were investigated by putting two Pb atoms at the same side of graphene in the Cis model and locating two Pb atoms at the opposite sides in the Trans model. The models were optimized to obtain the minimized energy structures, which were confirmed by the evaluated non-imaginary frequencies. Mol. and at. features were obtained to recognize the effects of Pb dopant on structural and electronic features of graphene for making a comparison for the investigated models. As the main achievements of this work, the models were successfully optimized by better benefits of formation of the Cis model in comparison with the other models. Based on the evaluated electronic features, developments of further applications could be expected for such models systems.

Indian Journal of Physics published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Recommanded Product: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Kong, Dongqing published the artcilePolycyclic Aromatic Hydrocarbons as a New Class of Promising Cathode Materials for Aluminum-Ion Batteries, COA of Formula: C24H12, the publication is Angewandte Chemie, International Edition (2022), 61(3), e202114681, database is CAplus and MEDLINE.

As an emerging post-lithium battery technol., aluminum ion batteries (AIBs) have the advantages of large Al reserves and high safety, and have great potential to be applied to power grid energy storage. But current graphite cathode materials are limited in charge storage capacity due to the formation of stage-4 graphite-intercalated compounds (GICs) in the fully charged state. Herein, we propose a new type of cathode materials for AIBs, namely polycyclic aromatic hydrocarbons (PAHs), which resemble graphite in terms of the large conjugated ¦Ð bond, but do not form GICs in the charge process. Quantum chem. calculations show that PAHs can bind AlCl₄^– through the interaction between the conjugated ¦Ð bond in the PAHs and ₄^–, forming on-plane interactions. The theor. specific capacity of PAHs is neg. correlated with the number of benzene rings in the PAHs. Then, under the guidance of theor. calculations, anthracene, a three-ring PAH, was evaluated as a cathode material for AIBs. Electrochem. measurements show that anthracene has a high specific capacity of 157 mAh g^-1 (at 100 mA g^-1) and still maintains a specific capacity of 130 mAh g^-1 after 800 cycles. This work provides a feasible “theory guides practice” research model for the development of energy storage materials, and also provides a new class of promising cathode materials for AIBs.

Angewandte Chemie, International Edition published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, COA of Formula: C24H12.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Kwon, Hyejin published the artcileAll-hydrocarbon, all-conjugated cycloparaphenylene-polycyclic aromatic hydrocarbon host-guest complexes stabilized by CH-¦Ð interactions, HPLC of Formula: 191-07-1, the publication is Nano Research (2022), 15(6), 5545-5555, database is CAplus.

Polycyclic aromatic hydrocarbons (PAHs) are promising nanocarbon materials with diverse optoelectronic properties, yet they also pose concerning environmental and health risks. Despite the ubiquity of PAHs in the environment (crude oil, emissions, and biomass), most supermols. rely on heteroatoms for stability. We discovered and characterized a family of all-hydrocarbon, all-¦Ð-conjugated [n]cycloparaphenylene-PAH host-guest complexes. We built a theor. framework to rapidly select these complexes and predict their stabilities, driven exclusively by CH-¦Ð interactions. More than a dozen complexes were confirmed exptl. and assembled directly from com. available compounds This motif offers a versatile way to combine the advantageous properties of organic semiconductors with the rich dynamic, stereochem., stimulus-responsive, and stress-dissipative behavior of host-guest complexes, while creating new opportunities for bespoke PAH separation or remediation materials.

Nano Research published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, HPLC of Formula: 191-07-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Sharma, Sunny Kumar published the artcileOn mixed metric dimension of polycyclic aromatic hydrocarbon networks, Category: catalysis-chemistry, the publication is Chemical Papers (2022), 76(7), 4115-4128, database is CAplus.

Polycyclic aromatic hydrocarbons (PAHs) are a class of persistent organic contaminants that contain two or more aromatic rings. PAHs are commonly found in soil, water, and air, and result in mainly incomplete combustion of carbonaceous products. PAHs have a wide range of applications, such as interstellar species, optical and elec. materials, pharmaceutical industry, and other functional materials in petrochem. The chem. graph theory helps in understanding the complex structure of mols. The parameters of resolvability for graph Γ = (V,E) are a relatively novel advanced area where the entire structure is constructed so that each vertex (atom) or/and edge (bond) represents a unique position. In this paper, we study the resolvability parameter, i.e., mixed metric dimension for the complex mol. structure of PAHs. We also prove that the mixed metric dimension is unbounded and is not constant for PAHs.

Chemical Papers published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C18H34N4O5S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Beketov, V. I. published the artcileEffect of Temperature on Parameters of Fluorescence Spectra of Solvatochromic Indicator Solutions in Stationary Phases for Gas-Liquid Chromatography, Recommanded Product: Coronene, the publication is Journal of Applied Spectroscopy (2022), 89(3), 433-438, database is CAplus.

Luminescence spectra of several polarity indicators, including Coumarin 153 and coronene that were previously studied at room temperature and Nile Red and Pigment Red 179, were recorded at 20 and 120°C in solutions of liquid stationary phases of various polarities. The effect of temperature on the spectral parameters sensitive to the stationary phase polarity was estimated for these indicators. The prospects for estimating the polarity of stationary liquid phases using luminescent methods at high temperatures was demonstrated.

Journal of Applied Spectroscopy published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Recommanded Product: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Webster, Ian J. published the artcilePhotochemical Synthesis and Spectroscopy of Covalent PAH Dimers, Name: Coronene, the publication is Journal of Physical Chemistry A (2022), 126(7), 1144-1157, database is CAplus and MEDLINE.

Laser photochem. of pressed-pellet samples of polycyclic aromatic hydrocarbons (PAHs) produces covalently bonded dimers and some higher polymers. This chem. was discovered initially via laser desorption time-of-flight mass spectrometry experiments, which produced masses (m/z) of 2M-2 and 2M-4 (where M is the monomer parent mass). Dimers are believed to be formed from photochem. dehydrogenation and radical polymerization chem. in the desorption plume. Replication of these ablation conditions at higher throughput allowed PAH dimers of pyrene, perylene, and coronene to be produced and collected in milligram quantities. Differential sublimation provided purification of the dimers and elimination of residual monomers. The purified dimers were investigated with UV-visible, IR, and Raman spectroscopy, complemented by computational studies using d. functional theory at the CAM-B3LYP/def2-TZV level. Calculations and predicted spectra were calibrated by comparison with the corresponding monomers and used to determine the lowest energy dimer structures. IR and Raman spectroscopy provided few distinctive signatures, but UV-visible spectra detected new transitions for each dimer. The comparison of simulated and exptl. spectra allows determination of the most prevalent structures for the PAH dimers. The work presented here provides interesting insights into the spectroscopy of extended aromatic systems and a new strategy for the photochem. synthesis of large PAH dimers.

Journal of Physical Chemistry A published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C11H21BF4N2O2, Name: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Fuchte, Hanna E. published the artcileA look down the drain: Identification of dissolved and particle bound organic pollutants in urban runoff waters and sediments, Computed Properties of 191-07-1, the publication is Environmental Pollution (Oxford, United Kingdom) (2022), 119047, database is CAplus and MEDLINE.

Urban runoff contains a range of organic micropollutants which, if not removed during wastewater treatment, pose a risk to aquatic environments. These mixtures are complex and often site-specific. Street drains provide an ideal sampling point given they collect the runoff from local and defined catchments. In this study, runoff was collected and sampled in five street drains located in a medium sized town in Germany. A specially constructed trap was used to collect the particulate and total water fractions of the runoff. In addition, passive samplers were deployed to determine the freely dissolved concentrations of selected compounds in the runoff. In sum, 187 polar organic micropollutants could be quantified using LC-HRMS. Thirty of these could only be detected by the use of passive samplers. Traffic derived pollutants such as corrosion inhibitors, rubber- and plastic additives, but also pollutants of industrial origin were strongly represented with sum median concentrations of 100μg/kg dry weight (DW) in the sediment and 400 ng/L in the water fraction. Several of these substances are of concern due to their environmental persistence and mobility. Perfluorinated compounds and pesticides occurred at lower levels of several μg/kg DW sediment or ng/L water. A number of substances including pharmaceuticals, sweeteners and stimulants indicated domestic wastewater influences. Furthermore, a total of 62 parent and alkylated PAHs were quantified by GC-MS and contributed 30-70% to the sum concentrations of the micropollutants. Non-EPA PAHs dominated the carcinogenic PAH toxicity. The increased PAH alkylation indexes (0.7-0.9) showed these primarily came from combustion sources. The runoff particles were addnl. microscopically characterized, and correlations were found between the rubber particle counts and the PAH alkylation-index as well as the levels of 2-(methylthio)benzothiazole, a marker compound for tire leaching.

Environmental Pollution (Oxford, United Kingdom) published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Computed Properties of 191-07-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wietzoreck, M. published the artcileNitro- and oxy-PAHs in grassland soils from decade-long sampling in central Europe, Recommanded Product: Coronene, the publication is Environmental Geochemistry and Health (2022), 44(8), 2743-2765, database is CAplus and MEDLINE.

Long-term exposure to polycyclic aromatic hydrocarbons (PAHs) and their nitrated (NPAHs) and oxygenated (OPAHs) derivatives can cause adverse health effects due to their carcinogenicity, mutagenicity and oxidative potential. The distribution of PAH derivatives in the terrestrial environment has hardly been studied, although several PAH derivatives are ubiquitous in air and long-lived in soil and water. We report the multi-annual variations in the concentrations of NPAHs, OPAHs and PAHs in soils sampled at a semi-urban (Mokra, Czech Republic) and a regional background site (Kosetice, Czech Republic) in central Europe. The concentrations of the Σ₁₈NPAHs and the Σ₁₁₊₂OPAHs and O-heterocycles were 0.31 ± 0.23 ng g^-1 and 4.03 ± 3.03 ng g^-1, resp., in Kosetice, while slightly higher concentrations of 0.54 ± 0.45 ng g^-1 and 5.91 ± 0.45 ng g^-1, resp., were found in soil from Mokra. Among the 5 NPAHs found in the soils, 1-nitropyrene and less so 6-nitrobenzo(a)pyrene were most abundant. The OPAHs were more evenly distributed. The ratios of the PAH derivatives to their parent PAHs in Kosetice indicate that they were long-range transported to the background site. Our results show that several NPAHs and OPAHs are abundant in soil and that gas-particle partitioning is a major factor influencing the concentration of several semi-volatile NPAHs and OPAHs in the soils. Complete understanding of the long-term variations of NPAH and OPAH concentrations in soil is limited by the lack of kinetic data describing their formation and degradation

Environmental Geochemistry and Health published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C12H10N2O5, Recommanded Product: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Shahne, Maryam Zare published the artcileParticulate emissions of real-world light-duty gasoline vehicle fleet in Iran, Name: Coronene, the publication is Environmental Pollution (Oxford, United Kingdom) (2022), 292(Part_A), 118303, database is CAplus and MEDLINE.

Fine particulate matter cause profound adverse health effects in Iran. Road traffic is one of the main sources of particulate matter (PM) in urban areas, and has a large contribution in PM_2.5 and organic carbon concentration, in Tehran, Iran. The composition of fine PM vehicle emission is poorly known, so this paper aims to determine the mixed fleet source profile by using the analyzed data from the two internal stations and the emission factor for PM light-duty vehicles emission. Tunnels are ideal media for extraction vehicle source profile and emission factor, due to vehicles are the only source of pollutant in the urban tunnels. In this study, PM samples were collected simultaneously in two road tunnel stations and at a background site in Niyayesh tunnel in Tehran, Iran. The tunnel samples show a large contribution for some elements and ions, such as Fe (0.23μg μg^-1 OC), Al (0.02μg μg^-1 OC), Ca (0.055μg μg^-1 OC), SO4 (0.047μg μg^-1 OC), Docosane (0.0017μg μg^-1 OC), Triacontane (0.016μg μg^-1 OC), Anthracenedione (0.0003μg μg^-1 OC) and Benzo-perylene (0.0002μg μg^-1 OC). In overall, on-road gasoline vehicle fleets source profile extracted in this study is similar to composite profiles derived from roadside tunnel measurment performed in other countries during the last decades. The PM_2.5 emission factor for Tehran’s light-duty vehicle fleet has been extracted 16.23 mg km^-1. vehicle^-1 and 0.09 g kg^-1. The profile would be used for Chem. Mass Balance Model studies for Iran and other countries with a similar road traffic fleet mix. Also, it would be very suitable for use in emission inventories improvement. The results of this study can be used for choosing the best management strategies and provide comperhensive insight to fine PM traffic emission in Tehran.

Environmental Pollution (Oxford, United Kingdom) published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C39H35N5O8, Name: Coronene.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Farahani, Vahid Jalali published the artcileThe oxidative potential of particulate matter (PM) in different regions around the world and its relation to air pollution sources, Quality Control of 191-07-1, the publication is Environmental Science: Atmospheres, database is CAplus.

In this study, we investigated the impact of urban emission sources on the chem. composition of ambient particulate matter (PM) as well as the associated oxidative potential. We collected six sets of PM samples in five urban location sites around the world over long time periods varying from weeks to months, intentionally selected for their PM to be dominated by unique emission sources: (1) PM_2.5 produced mainly by traffic emissions in central Los Angeles, United States (US); (2) PM_2.5 dominated by biomass burning in Milan, Italy; (3) PM_2.5 formed by secondary photochem. reactions thus dominated by secondary aerosols in Athens, Greece; (4) PM₁₀ emitted by refinery and dust resuspension in Riyadh, Saudi Arabia (SA); (5) PM₁₀ generated by dust storms in Riyadh, SA, and (6) PM_2.5 produced mainly by industrial and traffic emissions in Beirut, Lebanon. The PM samples were chem. analyzed and their oxidative potential were quantified by employing the dithiothreitol (DTT) assay. Our results revealed that the Milan samples were rich in water soluble organic carbon (WSOC) and PAHs, even exceeding the levels measured on Los Angeles (LA) freeways. The PM in Athens was characterized by high concentrations of inorganic ions, specifically sulfate which was the highest of all PM samples. The ambient PM in LA was impacted by the traffic-emitted primary organic and elemental carbon. Furthermore, the contribution of metals and elements per mass of PM in Riyadh and Beirut samples were more pronounced relative to other sampling areas. The highest intrinsic PM redox activity was observed for PM with the highest WSOC fraction, including Milan (biomass burning) and Athens (secondary organic aerosols, SOA). PM in areas characterized by high metal emissions including dust events, refinery and industry, such as Riyadh and Beirut, had the lowest oxidative potential as assessed by the DTT assay. The results of this study illustrate the impact of major emission sources in urban areas on the redox activity and oxidative potential of ambient PM, providing useful information for developing efficient air pollution control and mitigation policies in polluted areas around the globe.

Environmental Science: Atmospheres published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Quality Control of 191-07-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia