Month: December 2022

Henderson, Luke published the artcileModelling the formation, growth and coagulation of soot in a combustion system using a 2-D population balance model, Category: catalysis-chemistry, the publication is Combustion and Flame (2022), 112303, database is CAplus.

A 2-D population balance model utilizing carbon mass and surface sites as internal variables was developed for soot formation during hydrocarbon decomposition reactions. The model provides particle properties such as composition and mean polyaromatic hydrocarbon size, enabling the incorporation of cyclization reactions, soot maturation, and a dynamic model of surface reactions. Accompanied by a reduced kinetic model for gas-phase species, this population balance model was then discretized using the fixed-pivot method, to provide predictions of the soot distribution as a function of position within a plug flow reactor. The model predictions of the particle size distribution functions resulting from high-temperature hydrocarbon pyrolysis within a PFTR system provide good comparison with exptl. measurements under a variety of conditions. In addition to this, by tracking the changes in particle composition occurring through cyclization reactions, the point of carbon particle maturity could be determined, allowing subsequent predictions of the size distributions of the primary particles comprising soot aggregates. Through comparison with TEM and SEM imaging, these primary particle distributions were found to be accurate for the exptl. conditions examined While the implementation of the second internal variable describing particle composition was not found to provide substantial improvements to the prediction of the overall aggregate distribution from existing models, the addnl. computational cost that accompanies addnl. variables is justified in applications where morphol. predictions of particle aggregates are of interest, in addition to their size distribution.

Combustion and Flame 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, Category: catalysis-chemistry.

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

Sabarudin, Akhmad published the artcilePreparation of Metal-Immobilized Methacrylate-Based Monolithic Columns for Flow-Through Cross-Coupling Reactions, COA of Formula: C14H14, the publication is Molecules (2021), 26(23), 7346, database is CAplus and MEDLINE.

In this work, with the aim of developing efficient flow-through microreactors for high-throughput organic synthesis, microreactors were fabricated by chem. immobilizing palladium-, nickel-, iron-, and copper-based catalysts onto ligand-modified poly(glycidyl methacrylate-co-ethylene dimethacrylate) [poly(GMA-co-EDMA)] monoliths, which were prepared inside a silicosteel tubing (10 cm long with an inner diameter of 1.0 mm) and modified with several ligands including 5-amino-1,10-phenanthroline, iminodiacetic acid, and iminodi(methylenephosphonic) acid. The performance of the resulting microreactors in Suzuki-Miyaura cross-coupling reactions was evaluated, and it was found that the poly(GMA-co-EDMA) monolith chem. modified with 5-amino-1,10-phenanthroline as a binding site for the palladium catalyst provides an excellent flow-through performance, enabling highly efficient and rapid reactions with high product yields. Moreover, this monolithic microreactor maintained its good activity and efficiency during prolonged use.

Molecules published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, COA of Formula: C14H14.

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

Luo, Na published the artcileDifferential regulation of intramuscular fat and abdominal fat deposition in chickens, Recommanded Product: Docosahexaenoic Acid, the publication is BMC Genomics (2022), 23(1), 308, database is CAplus and MEDLINE.

Chicken i.m. fat (IMF) content is closely related to meat quality and performance, such as tenderness and flavor. Abdominal fat (AF) in chickens is one of the main waste products at slaughter. Excessive AF reduces feed efficiency and carcass quality. To analyze the differential deposition of IMF and AF in chickens, gene expression profiles in the breast muscle (BM) and AF tissues of 18 animals were analyzed by differential expression anal. and weighted co-expression network anal. The results showed that IMF deposition in BM was associated with pyruvate and citric acid metabolism through GAPDH, LDHA, GPX1, GBE1, and other genes. In contrast, AF deposition was related to acetyl CoA and glycerol metabolism through FABP1, ELOVL6, SCD, ADIPOQ, and other genes. Carbohydrate metabolism plays an essential role in IMF deposition, and fatty acid and glycerol metabolism regulate AF deposition. Conclusion: This study elucidated the mol. mechanism governing IMF and AF deposition through crucial genes and signaling pathways and provided a theor. basis for producing high-quality broilers.

BMC Genomics published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C22H32O2, Recommanded Product: Docosahexaenoic Acid.

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

Zhao, Feng published the artcileEnantioselective Synthesis of ¦Á-Aryl-¦Â²-Amino-Esters by Cooperative Isothiourea and Broensted Acid Catalysis, Application In Synthesis of 104-03-0, the publication is Angewandte Chemie, International Edition (2021), 60(21), 11892-11900, database is CAplus and MEDLINE.

The synthesis of ¦Á-aryl-¦Â²-amino esters such as (S)-Bn₂NCH₂CHPhCO₂Me (Bn = PhCH₂) through enantioselective aminomethylation of an arylacetic acid ester in high yields and enantioselectivity via cooperative isothiourea and Broensted acid catalysis is demonstrated. The scope and limitations of this process are explored (25 examples, up to 94% yield and 96:4 er), and the method was applied to the syntheses of (S)-venlafaxine hydrochloride and (S)-nakinadine B. Mechanistic studies are consistent with a C(1)-ammonium enolate pathway being followed rather than an alternative dynamic kinetic resolution process. Control studies indicate that (i) a linear effect between catalyst and product er is observed; (ii) an acyl ammonium ion can be used as a precatalyst; (iii) reversible isothiourea addition to an in situ generated iminium ion leads to an off-cycle intermediate that can be used as a productive precatalyst.

Angewandte Chemie, International Edition published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C6H12N2O, Application In Synthesis of 104-03-0.

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

Pigulski, Bartlomiej published the artcileFluorescence Enhancement by Supramolecular Sequestration of a C₅₄-Nanographene Trisimide by Hexabenzocoronene, Name: Coronene, the publication is Journal of the American Chemical Society (2022), 144(13), 5718-5722, database is CAplus and MEDLINE.

A supramol. trilayer nanographene complex consisting of a newly synthesized D_3h-sym. C₅₄-nanographene trisimide (NTI 1) and two hexabenzocoronenes (HBC) has been obtained by self-assembly. This 1:2 complex is structurally well-defined according to UV/vis and single crystal X-ray studies and exhibits high thermodn. stability even in polar halogenated solvents. Complexation of NTI 1 by two HBC mols. protects the NTI 1 ¦Ð-surface efficiently from oxygen quenching, thereby leading to a sequestration-induced fluorescence enhancement under ambient conditions.

Journal of the American Chemical Society 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, Name: Coronene.

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

Grinevich, I. A. published the artcileThe ¦Ã-initiated telomerization of ethylene by acetic acid, Synthetic Route of 3115-28-4, the publication is Khimiya Vysokikh Energii (1976), 10(4), 369, database is CAplus.

The increase in the partial chain-transfer constants with increasing chain length in the title telomerization was ascribed to a steric effect. The activation energy of isomerization of the chain was 3.7 kcal-mole.

Khimiya Vysokikh Energii published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Synthetic Route of 3115-28-4.

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

Lopatina, N. B. published the artcileStudy of the effect of the intramolecular interaction of atomic groups through an intermediate link on the intensity of IR absorption bands in nitroaromatic compounds, Related Products of catalysis-chemistry, the publication is Zhurnal Prikladnoi Spektroskopii (1993), 58(5-6), 436-42, database is CAplus.

Integral intensities of IR absorption bands, corresponding to the antisym. and sym. valence oscillations of the N-O nitro group, in spectra of aromatic nitro compounds 4-O₂NC₆H₄MX are measured. The effect of intramol. interaction on the intensities via an intermediate link (M) between the nitro group and a substituent (X) is investigated. It is shown that this interaction influences the IR intensity in a manner similar to the vibrational frequency.

Zhurnal Prikladnoi Spektroskopii published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C12H9N3O4, Related Products of catalysis-chemistry.

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

Krasnov, Pavel O. published the artcileMolecular hydrogen sorption capacity of P216-schwarzite: PM6-D3, MP2 and QTAIM approaches, Safety of Coronene, the publication is Computational Materials Science (2022), 111410, database is CAplus.

Schwarzites, due to their high porosity, are among prospective materials for the sorption of different gases, including hydrogen. Their surface possesses neg. Gaussian curvature that intimately determines how many carbon atoms each hydrogen mol. will interact with, which, in turn, defines the fraction of hydrogen that would be sorbed in the schwarzite. The critical question about contributions to the sorption of the surface topol. and electronic effects is solved here. Within the framework of the QTAIM theory, the topol. parameters of the electron d. distribution function at the bond critical points characterizing the dispersion interaction of the H2 mol. with the carbon surface are estimated On the example of mols. [6]circulene and [7]circulene, it was shown that, despite the electronic effects arising from the bending of this surface, on average, the energy of phys. sorption of hydrogen obtained using MP2 calculations changes insignificantly – by about 0.1 kJ/mol in the case of, for example, vertical orientation of the mol. By calculating the thermochem. properties by the PM6-D3 method, the dependence of the weight fraction of hydrogen sorbed in P216-schwarzite on the external gas pressure and the temperature has been established. In particular, it was shown that at 300 K and 10 MPa, this value is 4.6%, slightly higher than other carbon nanostructures with similar d., porosity, and accessible surface area values.

Computational Materials Science 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

Rostami, Hedieh published the artcileOne-Pot Multicomponent Synthesis of Pyrrolo[1,2-a]pyrazines in Water Catalyzed by Fe₃O₄@SiO₂-OSO₃H, SDS of cas: 4230-93-7, the publication is ChemistrySelect (2018), 3(47), 13487-13492, database is CAplus.

An effective and green one-pot multicomponent reaction for the synthesis of pyrrolo[1,2-a]pyrazine derivatives I [R¹ = Ph, 2-thiazolyl, 4-ClC₆H₄, etc.; R² = Me, Et] using Fe₃O₄@SiO₂-OSO₃H as a reusable magnetic nanocatalyst was reported. Compounds I were achieved via reaction among ethylenediamine, dialkyl acetylenedicarboxylates and ¦Â-nitrostyrene derivatives in water as a green solvent with high to excellent yields.

ChemistrySelect published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, SDS of cas: 4230-93-7.

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

Voggu, Rakesh published the artcileOne-step synthesis of high-purity fluorous-capped inorganic nanoparticles, Safety of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-amine, the publication is Dalton Transactions (2010), 39(26), 6021-6023, database is CAplus and MEDLINE.

Making use of the fact that perfluorohydrocarbon, and hydrocarbon solvents become miscible at high temperatures, highly pure inorganic nanoparticles capped with fluorous labels were generated in a 1-step synthesis. The procedure involves taking the reactants in a hydrocarbon + perfluorohydrocarbon mixture along with a fluorous reagent and carrying out the reaction at elevated temperatures On cooling the reaction mixture, fluorous-capped inorganic nanoparticles dispersed in the perfluorohydrocarbon were obtained.

Dalton Transactions published new progress about 30670-30-5. 30670-30-5 belongs to catalysis-chemistry, auxiliary class Polyfluoroalkanes, name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-amine, and the molecular formula is C6H5BClNO4, Safety of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-amine.

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