Category: 191-07-1

Chen, Shen published the artcileDetermination of tipping point in course of PM_2.5 organic extracts-induced malignant transformation by dynamic network biomarkers, Quality Control of 191-07-1, the publication is Journal of Hazardous Materials (2022), 128089, database is CAplus and MEDLINE.

The dynamic network biomarkers (DNBs) are designed to identify the tipping point and specific mols. in initiation of PM_2.5-induced lung cancers. To discover early-warning signals, we analyzed time-series gene expression datasets over a course of PM_2.5 organic extraction-induced human bronchial epithelial (HBE) cell transformation (0th?16th week). A composition index of DNB (CIDNB) was calculated to determine correlations and fluctuations in mol. clusters at each timepoint. We identified a group of genes with the highest CI_DNB at the 10th week, implicating a tipping point and corresponding DNBs. Functional experiments revealed that manipulating resp. DNB genes at the tipping point led to remarkable changes in malignant phenotypes, including four promoters (GAB2, NCF1, MMP25, LAPTM5) and three suppressors (BATF2, DOK3, DAP3). Notably, co-altered expression of seven core DNB genes resulted in an enhanced activity of malignant transformation compared to effects of single-gene manipulation. Perturbation of pathways (EMT, HMGB1, STAT3, NF-¦ÊB, PTEN) appeared in HBE cells at the tipping point. The core DNB genes were involved in regulating lung cancer cell growth and associated with poor survival, indicating their synergistic effects in initiation and development of lung cancers. These findings provided novel insights into the mechanism of dynamic networks attributable to PM_2.5-induced cell transformation.

Journal of Hazardous Materials 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

Campisi, Dario published the artcileAdsorption of Polycyclic Aromatic Hydrocarbons and C₆₀ onto Forsterite: C-H Bond Activation by the Schottky Vacancy, Application In Synthesis of 191-07-1, the publication is ACS Earth and Space Chemistry (2022), 6(8), 2009-2023, database is CAplus.

Understanding how to catalytically break the C-H bond of aromatic mols., such as polycyclic aromatic hydrocarbons (PAHs), is currently a big challenge and a subject of study in catalysis, astrochem., and planetary science. In the latter, the study of the breakdown reaction of PAHs on mineral surfaces is important to understand if PAHs are linked to prebiotic mols. in regions of star and planet formation. In this work, we employed a periodic d. functional theory along with Grimme’s D4 (DFT-D4) approach for studying the adsorption of a sample of PAHs (naphthalene, anthracene, fluoranthene, pyrene, coronene, and benzocoronene) and fullerene on the [010] forsterite surface and its defective surfaces (Fe-doped and Ni-doped surfaces and a MgO-Schottky vacancy) for their implications in catalysis and astrochem. On the basis of structural and binding energy anal., large PAHs and fullerene present stronger adsorption on the pristine, Fe-doped, and Ni-doped forsterite surfaces than small PAHs. On a MgO-Schottky vacancy, parallel adsorption of the PAH leads to the chemisorption process (C-Si and/or C-O bonds), whereas perpendicular orientation of the PAH leads to the catalytic breaking of the aromatic C-H bond via a barrierless reaction. Spin d. and charge anal. show that C-H dissociation is promoted by electron donation from the vacancy to the PAH. As a result of the undercoordinated Si and O atoms, the vacancy acts as a Frustrated Lewis Pair (FLP) catalyst. Therefore, a MgO-Schottky vacancy [010] forsterite surface proved to have potential catalytic activity for the activation of C-H bond in aromatic mols.

ACS Earth and Space Chemistry 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, Application In Synthesis of 191-07-1.

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

Nakao, Keisuke published the artcileSynthesis of Hexaazatriphenylene Charge-Transfer Complexes and Their Application in Cathode Active Materials for Lithium-Ion Batteries, Quality Control of 191-07-1, the publication is Crystal Growth & Design (2022), 22(1), 26-31, database is CAplus.

A rational strategy for constructing a packing structure with diffusion paths for lithium ions is a critical requirement in the development of organic cathode active materials. Charge-transfer (CT) complexes with columnar structures are prospective materials in this regard because the voids between the columns can serve as diffusion paths for lithium ions. In this study, four CT complexes with columnar structures were synthesized by utilizing the ¦Ð-¦Ð interactions between an electron acceptor, namely, 2,3,6,7,10,11-hexacyano-1,4,5,8,9,12-hexaazatriphenylene (HAT-CN), and various electron donors (i.e., coronene, pyrene, anthracene, and carbazole). The structures of these complexes were determined by single-crystal X-ray diffraction measurements, and their suitability for use as cathode-active materials in lithium-ion batteries was evaluated. The CT complex composed of HAT-CN and coronene (CT-2) showed a high capacity (163.6 mAh g^-1 at a c.d. of 100 mA g^-1 in the first cycle), which was attributed to the strong aromatic interactions producing a stable columnar structure.

Crystal Growth & Design 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

Zhang, Tianchu published the artcileInfluence of test cycle and fuel property on fuel consumption and exhaust emissions of a heavy-duty diesel engine, COA of Formula: C24H12, the publication is Energy (Oxford, United Kingdom) (2022), 244(Part_A), 122705, database is CAplus.

In this study, dynamometer engine tests were conducted to investigate the impact of test cycle and fuel type on fuel consumption and exhaust emissions of a heavy-duty diesel engine. This study presented novel approaches by utilizing comprehensive statistical anal. to assess these impacts on particulate matter (PM), PM-bound polycyclic aromatic hydrocarbons (PAHs), and multiple gaseous pollutants. Four types of fuels-two conventional diesels (X and Y) and each with 5% blend of biodiesel-were used under European Transient Cycle (ETC) and European Stationary Cycle (ESC). There were statistically significant higher fuel consumption and emission rates (by 9-73%) under ETC than ESC due to more occurrences of lower engine speeds and loads under ESC, and X fuels had higher emission rates of PM and carbon dioxides ([CO₂]; 2.1-13%) but lower rates of hydrocarbons ([THC]; 44%) attributed to higher cetane number, sulfur contents and b.ps. Compared with conventional diesel, biodiesel blend had slightly lower emission rates of PM, CO, and NO_X (1.7-6.6%) but higher fuel consumption (1%) and CO₂ and THC emission rates (0.9-2.1%). The results of this study contributed to the limited datasets on the interactive effects of test cycle with fuel property on diesel vehicle exhaust emissions.

Energy (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 C4H8Cl2S2, COA of Formula: C24H12.

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

Arockiaraj, Micheal published the artcileTwo-dimensional coronene fractal structures: topological entropy measures, energetics, NMR and ESR spectroscopic patterns and existence of isentropic structures, Quality Control of 191-07-1, the publication is Molecular Physics (2022), 120(11), e2079568/1-e2079568/15, database is CAplus.

Mol. fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. The benzenoid compounds are found to have a natural pattern that helps to analyze and explore the potential attributes of these mol. fractals. Here, we focus on coronene-based fractals where coronene is a benzenoid mol. with a symmetry graphite-like structure and challenging synthesis methods. Topol. mol. descriptors are obtained in order to provide structure-activity relations for the physico-chem. properties. We obtain these descriptors for the mol. fractals that are constructed by repeating a fixed unit of coronene on different stages systematically. The structural characterization of the two-dimensional coronene fractals in various tessellations is presented through a wide range of degree-based topol. indexes. The entropy measures of these significant frameworks are also computed for estimating their potential attributes, and the comparison of their values among various degree-based indexes is performed, which shows the existence of isentropic structures. We have developed machine learning techniques for robust computations of the enthalpies, NMR and ESR spectroscopic patterns of coronene fractals.

Molecular 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, Quality Control of 191-07-1.

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

Ullah, Zakir published the artcileDFT study of 6-amino-3-(1-hydroxyethyl) pyridine-2,4-diol (AHP) adsorption on Coronene, Product Details of C24H12, the publication is Journal of Molecular Liquids (2022), 119436, database is CAplus.

Adsorption of 6-amino-3-(1-hydroxyethyl) pyridine-2,4-diol (AHP) on Corenene and NNP (Nitorgens doped on para position), NBP (Nitrogen and Boron on ortho position), and NBO (Nitrogen and Boron on ortho position) doped Coronene has been studied with D. Functional Theory (DFT) and Time-dependent DFT simulations. The bond distance, adsorption energy, charge anal., frontier MO anal. (FMO), dipole moment, AIM, RGD, UV-Vis, and d. of states (DOS) along with their solvent effect has been considered while conducting this study. The nucleophilic part of the AHP act as an electron-donating and the Corenene sheet acts as an electron acceptor and resulting and intermol. interaction vis nucleophilic and electrophilic region approach. The total Gibbs free (¦¤G) adsorption energy of AHP was calculated to be -5.07, -10.51, and -11.22 kcal/mol resp. to the CC, BBP, and NNP graphene quantum dots. Moreover, the change in interaction energy (¦¤E) and change of enthalpy (¦¤H) were found to be -3.66 and -2.75, -22.13 and -21.44, -20.94 and -20.08 kcal/mol correspondingly. Our calculations show that AHP-NNP complex is the most stable complex among the other studies system.

Journal of Molecular Liquids 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 C42H63O3P, Product Details of C24H12.

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

Takazawa, Ken published the artcilePhase-transition-induced jumping, bending, and wriggling of single crystal nanofibers of coronene, HPLC of Formula: 191-07-1, the publication is Scientific Reports (2021), 11(1), 3175, database is CAplus and MEDLINE.

For decades, it has been reported that some organic crystals suddenly crack, break, or jump when they are heated from room temperature Recently, such crystals have been intensively studied both in fundamental science and for high-speed mech. device applications. According to these studies, the sudden crystal motions have been attributed to structural phase transitions induced by heating. Stress created by the phase transition is released through the sudden and rapid motion of the crystals. Here we report that single crystal nanofibers of coronene exhibit a new type of ultrafast motion when they are cooled from room temperature and subsequently heated to room temperature The nanofibers make centimeter-scale jumps accompanied by surprisingly unique behaviors such as sharp bending and wriggling. We found that the motions are caused by a significantly fast structural phase transition between two polymorphs of coronene. A theor. investigation revealed that the sudden force generated by the phase transition together with the nanoscale dimensions and elastic properties create dynamical instability in the nanofibers that results in the motions. Our finding demonstrates the novel mechanism that leads to ultrafast, large deformation of organic crystals.

Scientific Reports 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

Abdulradha, Shaima K. published the artcileStudy of the Interaction Between Reduced Graphene Oxide and NO₂ Gas Molecules via Density Functional Theory (DFT), COA of Formula: C24H12, the publication is International Journal of Nanoscience (2022), 21(2), 2250009, database is CAplus.

Electronic properties such as d. of state, energy gap, HOMO (the HOMO) level, LUMO (the LUMO) level and d. of bonds, as well as spectroscopic properties like IR (IR), Raman scattering, force constant, and reduced masses for coronene C₂₄, reduced graphene oxide (rGO) C₂₄O₅ and interaction between C₂₄O₅ and NO₂ gas mols. were investigated. D. functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09W software program was used to do these calculations Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C₂₄, C₂₄O₅ and the interaction of C₂₄O₅ with NO₂ gas mol. It shows the energy gap of coronene C₂₄ 3.5eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C₂₄O_x where x = 1-7 was from 0.89eV to 1.6862eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1eV and 2.2eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO₂ longitudinal optical (LO) modes of 1585, 1582 and 1600cm^-1, resp. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25¡ã C and 100¡ã C were calculated The activation energy of C₂₄O₅ with nitrogen dioxide decreases with increasing temperature

International Journal of Nanoscience 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

Xu, Nan published the artcileChemical characteristics and sources of organic aerosols across the Taiwan Strait, Formula: C24H12, the publication is Atmospheric Pollution Research (2022), 13(2), 101312, database is CAplus.

Although increasing attention is drawn to particulate air pollution across the Taiwan Strait, few studies have focused on the organic component, which comprises a large portion in ambient aerosols. Synchronous observations were conducted at seven sites in Taiwan and Fujian to explore the chem. properties and source contributions of organic aerosols across the Taiwan Strait. In total, 134 organic matters were quantified by gas chromatog.-mass spectrometry. Compared to other areas in China, the proportions of n-alkanes and PAHs in the quantified organic constituent were relatively lower across the Taiwan Strait, with alkanoic acids and dicarboxylic acids higher, indicating less primary source contribution and more secondary formation influence. The chem. mass balance (CMB) model showed that cooking and vehicle emissions were the richest primary sources of organic carbon (OC) across the Taiwan Strait, accounting for 21% and 15% on average, followed by biomass burning and vegetative detritus. Coal burning had little influence in early summer across the Taiwan Strait. The percentages of diesel vehicle contributions were higher at sites in Taiwan than in Fujian, which was also verified by a higher elemental carbon (EC) to OC ratio. The contribution of biomass burning increased significantly when large amounts of fire points observed across the Taiwan Strait. This work highlights the chem. characteristics of organic aerosols and the interaction of particulate air pollution across the Taiwan Strait in a typical monsoon transition case. Sources of OC and potential origin areas of PM2.5 were also investigated to support cross-strait pollution control policies.

Atmospheric Pollution 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 C3H8N2S, Formula: C24H12.

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

Ihantola, Tuukka published the artcileGenotoxic and inflammatory effects of spruce and brown coal briquettes combustion aerosols on lung cells at the air-liquid interface, Safety of Coronene, the publication is Science of the Total Environment (2022), 806(Part_1), 150489, database is CAplus and MEDLINE.

Solid fuel usage in residential heating and cooking is one of the largest sources of ambient and indoor air particulate matter, which causes adverse effects on the health of millions of peoples worldwide. Emissions from solid fuel combustion, such as biomass or coal, are detrimental to health, but toxicol. responses are largely unknown. In the present study, we compared the toxicol. responses regarding cytotoxicity, inflammation and genotoxicity of spruce (SPR) and brown coal briquette (BCB) combustion aerosols on human alveolar epithelial cells (A549) as well as a coculture of A549 and differentiated human monocytic cells (THP-1) into macrophages exposed at the air-liquid interface (ALI). We included both the high emissions from the first hour and moderate emissions from the third hour of the batch combustion experiment in one ALI system, whereas, in the second ALI system, we exposed the cells during the whole 4-h combustion experiment, including all combustion phases. Physico-chem. properties of the combustion aerosol were analyzed both online and offline. Both SPR and BCB combustion aerosols caused mild cytotoxic but notable genotoxic effects in co-cultured A549 cells after one-hour exposure. Inflammatory response anal. revealed BCB combustion aerosols to cause a mild increase in CXCL1 and CXCL8 levels, but in the case of SPR combustion aerosol, a decrease compared to control was observed

Science of the Total Environment 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