Category: 191-07-1

Wang, Yi published the artcileCoronene and Phthalocyanine Trapping Efficiency of a Two-Dimensional Kagome Host-Nanoarchitecture, Safety of Coronene, the publication is Nanomaterials (2022), 12(5), 775, database is CAplus and MEDLINE.

The trapping of coronene and zinc phthalocyanine (ZnPc) mols. at low concentration by a two-dimensional self-assembled nanoarchitecture of a push-pull dye is investigated using scanning tunneling microscopy (STM) at the liquid-solid interface. The push-pull mols. adopt an L-shaped conformation and self-assemble on a graphite surface into a hydrogen-bonded Kagome’ network with porous hexagonal cavities. This porous host-structure is used to trap coronene and ZnPc guest mols. STM images reveal that only 11% of the Kagome network cavities are filled with coronene mols. In addition, these guest mols. are not locked in the host-network and are desorbing from the surface. In contrast, STM results reveal that the occupancy of the Kagome’; cavities by ZnPc evolves linearly with time until 95% are occupied and that the host structure cavities are all occupied after few hours.

Nanomaterials 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 C12H14O2, Safety of Coronene.

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

Bateni, Fatemeh published the artcileDistribution, source and ecological risk assessment of polycyclic aromatic hydrocarbons in the sediments of northern part of the Persian Gulf, Recommanded Product: Coronene, the publication is Chemosphere (2022), 133859, database is CAplus and MEDLINE.

Distribution, sources, and ecol. risk of 43 compounds of polycyclic aromatic hydrocarbons (PAHs) in surficial sediments of the Persian Gulf were investigated. The sediments were sampled from 60 offshore stations during an oceanog. cruise in the winter of 2012. Gas chromatog. high-resolution mass spectrometry was used for the PAHs determinations in sediment samples. The concentrations of 21 parent PAHs, 7 methylated PAHs, 11 oxygenated PAHs and 4 nitrated PAHs were 9.0-201.5 ng g^-1 dw, 3.3-60.3 ng g^-1 dw, 15.2-172.7 ng g^-1 dw and 0.1-8.3 ng g^-1 dw, resp. Among 21 parental PAHs, naphthalene (29.35 ng g-1 dw), phenanthrene (4.6 ng g-1 dw), and pyrene (3.18 ng g-1 dw) were the most abundant compound 1-acenaphthenone (43.41 ng g-1 dw) and 2-methylnaphthalene (7.15 ng g-1 dw) showed the highest concentration in the oxy- and methyl-PAHs, resp. The concentrations of nitro-PAHs were between not detected to 4 ng g-1 dw. According to the ecol. risk assessment, the calculated total toxicity of PAHs was at below the lethal level on benthic organisms in all stations in the Persian Gulf, but there is risk of toxicity for the benthic organism in the Gulf of Oman (from the Strait of Hormuz to Jask). In general, nitrogenated and oxygenated derivatives did not show a significant risk in the study area. Based on the diagnostic ratios, the mixed sources (both petrogenic and pyrogenic) and pyrogenic sources have been identified for PAHs. Biomass combustion source has been identified for the stations near flares and gas fields. Principle component anal.-multivariate linear regression anal. for source identification shows that maritime traffic, abundant flares that burn the gas in oil, gas fields and dust storms have a major impact on the production of PAHs in this area.

Chemosphere 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

Nascimento, Madson M. published the artcileDetermination of 3-nitrobenzanthrone, its metabolites, and 41 polycyclic aromatic compounds (16 PAHs, 19 nitro-PAHs, and 6 oxy-PAHs) in ascidians (Phallusia nigra), SDS of cas: 191-07-1, the publication is Microchemical Journal (2022), 107081, database is CAplus.

This work demonstrates an effective solid-liquid extraction procedure, in combination with a microscale dispersive solid-phase extraction cleanup, for the determination of 44 polycyclic aromatic compounds, including the potent mutagenic compound 3-nitrobenzathrone and its metabolites 3-aminobenzanthrone and 3-acethyl-aminobenzanthrone, in Phallusia nigra. A new customized device was constructed using borosilicate glass to perform the ultrasound-assisted extraction of the compounds The dispersive solid-phase extraction cleanup was carried out in a microscale device filter and optimized though multivariate statistical tools. The optimum conditions were determined as 93 mg of activated alumina/silica gel (1:1, weight/weight) and vortex-assisted agitation for 3.50 min. The limit of detection ranged from 5.47 to 9.89 ng g-1, 7.27 to 1,524 ng g-1, and 42.7 to 108 ng g-1 for PAHs, oxy-PAHs, and nitro-PAHs, resp. The ANOVA test (p < 0.05) indicated no evidence of lack-of-fit for the matrix-matched anal. curves, with R2 > 0.990. The recoveries on the DORM-3 reference standard material ranged from 75.3% to 120%, 77.6% to 117%, and 70% to 124% for PAHs, oxy-PAHs, and nitro-PAHs, resp. The developed procedure was applied to nine ascidians samples. PAHs, oxy-PAHs, and nitro-PAHs were detected in the samples at concentrations ranging from 5.02 to 489 ng g-1 dw, 28.8 to 6,587 ng g-1, and 32.3 to 1,635 ng g-1, resp. Thus, the proposed procedure was comprehensive, precise, accurate, and suitable for the determination of these compounds in ascidians samples.

Microchemical Journal 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, SDS of cas: 191-07-1.

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

Ma, Lin published the artcileRegulation of the Assembled Structure of a Flexible Porphyrin Derivative Containing Tetra Isophthalic Acids by Coronene or Different Pyridines, Recommanded Product: Coronene, the publication is Langmuir (2022), 38(14), 4434-4441, database is CAplus and MEDLINE.

Based on previous research, a new coassembly formed by a porphyrin derivative (IPETPP), which contains a flexible substituent of m-phthalic acid, is observed with coronene (COR) mols. at a higher concentration Besides, a fresh IPETPP self-assembly formed at a lower concentration and another new coassembly with COR mols. are obtained. Moreover, the addition of a series of bipyridines alters the diamond arrangement of IPETPP, which enhances the stability of the two-component structures. It is unprecedented that bipyridine derivatives break intermol. hydrogen bonds containing m-phthalic acid substituents. All the coassemblies are investigated by scanning tunneling microscopy on a highly oriented pyrolytic graphite. Combined with d. functional theory, the formation mechanism of the assembled structures is revealed. These results would contribute to understanding the interfacial crystal behaviors and probably provide an efficient pathway to regulate the binary structures.

Langmuir 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

Li, Jianqiao published the artcileThe effect of multiple pairs of meta-dicarboxyl groups on molecular self-assembly and the selective adsorption of coronene by hydrogen bonding and van der Waals forces, Related Products of catalysis-chemistry, the publication is Nano Research (2022), 15(2), 1691-1697, database is CAplus.

The prediction of two-dimensional mol. self-assembly structures has always been a problem to be solved. The mols. with meta-dicarboxyl groups can self-assemble into a specific hexagonal cavity, which has an important influence on the prediction of mol. self-assembly structures and the application of functional mols. with meta-dicarboxyl groups. Two kinds of mols. with four pairs of meta-dicarboxyl groups, 1,3,6,8-tetrakis(3,5-isophthalic acid)pyrene (H8TIAPy) and 4¡ä,4¡ä¡ä¡ä,4¡ä¡ä¡ä¡ä¡ä,4¡ä¡ä¡ä¡ä¡ä¡ä¡ä-(ethene-1,1,2,2-tetrayl)tetrakis(([1,1¡ä-biphenyl]-3,5-dicarboxylic acid)) (H8ETTB) mols. were chosen to observe the self-assembly behavior at the heptanoic acid/highly oriented pyrolytic graphite (HA/HOPG) interface. H8TIAPy mols. self-assembled into well-ordered quadrilateral structures and could be regulated into kagome networks with hexagonal pores by coronene (COR) mols. H8ETTB mols. self-assembled into lamellar structures and transformed into acid-COR-acid-COR co-assembled structures at low concentration of COR solution and acid-COR dimer-acid-COR dimer co-assembled structures at high concentration of COR solution The reason that H8ETTB mols. could not be regulated into hexagonal porous architecture was attributed to the steric hindrance by the similar length and width of H8ETTB mols. The H8ETTB templates had stronger adsorption for COR than that of hexaphenylbenzene (HPB), regardless of the order of mol. introduction.

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, Related Products of catalysis-chemistry.

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

Tachikawa, Hiroto published the artcileStructures and electronic states of trimer radical cations of coronene: DFT-ESR simulation study, Related Products of catalysis-chemistry, the publication is Physical Chemistry Chemical Physics (2022), 24(17), 10318-10324, database is CAplus and MEDLINE.

Coronene (C₂₄H₁₂), a charge transfer complex with low-cost and high-performance energy storage, has recently attracted attention as a model mol. of graphene nano-flakes (GNFs). The stacking structures of the trimer radical cation correlate strongly with the conduction states of the GNFs. In the present paper, the structures and electronic states of the monomer, dimer and trimer radical cations of coronene were investigated by means of d. functional theory calculations In particular, the proton hyperfine coupling constants of these species were determined The radical cation of coronene+ (monomer) showed two structures corresponding to the ²A_u and ²B_3u states due to the Jahn-Teller effect. The 2Au state was more stable than the ²B_3u state, although the energy difference between the two states was only 0.03 kcal mol^-1. The dimer and trimer radical cations took stacking structures distorted from a full overlap structure. The intermol. distances of the mol. planes were 3.602 ? (dimer) and 3.564 and 3.600 ? (trimer). The binding energies of the dimer and trimer were calculated to be 8.7 and 13.3 kcal mol^-1, resp. The spin d. was equivalently distributed on both coronene planes in the dimer cation. In contrast, the central plane in the trimer cation had a larger spin d., ¦Ñ = 0.72, than the upper and lower planes, both with ¦Ñ = 0.14. The proton hyperfine coupling constants calculated from these structures and the electronic states of the monomer, dimer, and trimer radical cations of coronene were in excellent agreement with previous ESR spectra of coronene radical cations. The structures and electronic states of (coronene)_n⁺ (n = 1-3) were discussed on the basis of the theor. results.

Physical Chemistry Chemical 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 C26H41N5O7S, Related Products of catalysis-chemistry.

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

Meng, Ting published the artcileSelf-Assembly of Triphenylamine Macrocycles and Co-assembly with Guest Molecules at the Liquid-Solid Interface Studied by STM: Influence of Different Side Chains on Host-Guest Interaction, Safety of Coronene, the publication is Langmuir (2022), 38(11), 3568-3574, database is CAplus and MEDLINE.

The side chains of macrocyclic mols. have a non-negligible effect on the two-dimensional (2D) supramol. networks at the liquid/solid interface. In this study, we investigated the self-assembly behaviors of two conjugated triphenylamine (TPA) macrocycles modified with different alkyl chains, and constructed the host-guest supramol. nanopatterns on the highly oriented pyrolytic graphite (HOPG) by scanning tunneling microscope (STM). Combined with d. functional theory (DFT) calculations, how different side chains affected the host-guest interaction were discussed. This work will provide insights into constructing 2D host-guest dynamic coassembly on the surface.

Langmuir 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, Safety of Coronene.

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

Tian, Mi published the artcileMeasurement of size-segregated airborne particulate bound polycyclic aromatic compounds and assessment of their human health impacts – A case study in a megacity of southwest China, HPLC of Formula: 191-07-1, the publication is Chemosphere (2021), 131339, database is CAplus and MEDLINE.

Particle size distribution of particulate polycyclic aromatic compounds (PACs) is one of the important factors controlling human exposure to PACs in air. In this study, size-segregated airborne particle samples were collected in a megacity in southwest China to analyze PACs concentrations and evaluate related health risks. Annual average concentrations of ¦²19PAHs (polycyclic aromatic hydrocarbons, 17.4 ng/m³) and ¦²10OPAHs (oxygenated PAHs, 15.3 ng/m³) were one order of magnitude higher than those of ¦²9MPAHs (Me PAHs, 0.97 ng/m³) and ¦²27NPAHs (nitrated PAHs, 1.54 ng/m³). More than 55% of PACs masses were associated with fine particles (aerodynamic diameter Dae < 2.1¦Ìm). Inhalation exposure assessment showed that less than 60% of particulate bound PACs could deposit in the respiratory tract, which implies that the traditional model using ambient concentration of PACs would overestimate the inhalation risk. On the other hand, incremental lifetime cancer risks from dermal absorption (ILCRderm) were comparable to those from inhalation (ILCRinh) exposure despite the much lower daily dermal absorption dose than the daily inhalation dose, which implies that the health impact might be underestimated if only considering inhalation exposure. Cancer risks from inhalation exposure were mainly attributed to fine particles while those from dermal exposure were mostly associated with coarse particles. Although neither ILCRderm nor ILCRinh exceeded the threshold value of 10^-6 set by USEPA, the total ILCR exceeded this criterion, manifesting potential health risks from exposure to airborne particulate PACs in this region.

Chemosphere 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 C18H10, HPLC of Formula: 191-07-1.

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

Zhao, Pengcheng published the artcileParticle volatility, size distribution and PAH/alkyl-PAH profiles during toluene pyrolysis in a flow reactor, COA of Formula: C24H12, the publication is Aerosol Science and Technology (2022), 56(9), 819-832, database is CAplus.

Particle volatility, size distribution, and parent and alkylated polycyclic aromatic hydrocarbon (PAH/alkyl-PAH) profiles during toluene pyrolysis in a flow reactor were studied. The experiments were conducted under three different gas residence times (0.2, 0.5 and 0.8 s) at temperatures from 950 to 1450¡ãC. Results showed that long residence times and high temperatures led to high particle mass concentrations, low particle volatility and a significant shift of particle size distribution to larger size. Total particle number concentrations exhibited a rise-then-fall trend (peaking at a critical temperature of 1050¡ãC) with increasing temperature, indicating that increasing temperature promoted a transition from nucleation to agglomeration and coagulation which dominated the particle size distributions. Among PAHs and alkyl-PAHs, those with 2-4 rings, presented the highest concentrations at 950¡ãC for 0.2 s. They appeared at 1050¡ãC for 0.5 and 0.8 s, consistent with the critical temperature of particle nucleation at long residence times (0.5 and 0.8 s). Particle peak number concentrations and total PAH mass concentrations exhibited consistent temperature dependence, indicating soot nucleation was highly related to PAH concentrations According to the comprehensive observations in this study, low mol. mass PAHs instead of larger PAHs appear to be the precursors of soot formation during high temperature pyrolysis processes. Copyright 2021 American Association for Aerosol Research.

Aerosol Science and Technology 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 C10H10CoF6P, COA of Formula: C24H12.

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

Chen, Xue-Mei published the artcilePrediction of ^?OH-Initiated and ^?NO₃-Initiated Transformation Products of Polycyclic Aromatic Hydrocarbons by Electronic Structure Approaches, SDS of cas: 191-07-1, the publication is ACS Omega (2022), 7(29), 24942-24950, database is CAplus and MEDLINE.

The abiotic reaction products of polycyclic aromatic hydrocarbons (PAHs) with hydroxyl radicals (^?OH) and nitrate radicals (^?NO₃) are nitro-, oxygen-, and hydroxyl-containing PAHs (NPAHs, OPAHs, and OHPAHs). Four methods of the HOMO ), Fukui function (FF), dual descriptor (DD), and population of ¦Ð electrons (PP-¦Ð) are selected to predict the chem. reactivity of PAHs attacked by ^?OH and ^?NO₃ in this study. The predicted ^?OH-initiated and ^?NO₃-initiated transformation products are compared with the main PAH transformation products (PAH-TPs) observed in the laboratory The results indicate that PP-¦Ð and DD approaches fail to predict the transformation products of fused PAHs containing five-membered rings. By predicting the PAH-TPs of 13-14 out of the 15 parent PAHs accurately, HOMO and FF methods were shown to be suitable for predicting the transformation products formed from the abiotic reactions of fused PAHs with ^?OH and ^?NO₃.

ACS Omega 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, SDS of cas: 191-07-1.

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