Autocatalytic reaction between reacted and unreacted species may propagate as solitary waves, namely, at a constant front velocity and with a stationary concentration profile, resulting from a balance between molecular diffusion and chemical reaction. The effect of advective flow on the autocatalytic reaction between iodate and arsenous acid in cylindrical tubes and Hele-Shaw cells is analyzed experimentally and numerically using lattice Bhatnagar-Gross-Krook simulations. We do observe the existence of solitary waves with concentration profiles exhibiting a cusp and we delineate the eikonal and mixing regimes recently predicted.
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http://dx.doi.org/10.1103/PhysRevLett.90.128302 | DOI Listing |
J Mol Model
January 2025
Department of Chemistry, Military Institute of Engineering, Praça General Tibúrcio 80, Rio de Janeiro, Brazil.
Context: Nitrocellulose, widely used in energetic materials, is prone to thermal and chemical degradation, compromising safety and performance. Stabilizers are molecules used in the composition of nitrocellulose-based propellants to inhibit the autocatalytic degradation process that produces nitrous gases and free nitric acids. Curcumin, (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, known for its antioxidant properties and a potential green stabilizer, was investigated using Density Functional Theory (DFT) focusing on its interaction with nitrogen dioxide.
View Article and Find Full Text PDFBio Protoc
December 2024
Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, China.
MicroRNAs (miRNAs) are small, non-coding RNAs that play pivotal roles in gene regulation; they are increasingly recognized as vital biomarkers for various diseases, notably cancer. Conventional methods for miRNA detection, such as quantitative PCR and microarray analysis, often entail intricate sample preparation and lack the requisite sensitivity to detect low-abundance miRNAs like miRNA-21. This protocol presents an innovative approach that combines branched hybridization chain reaction (bHCR) with DNAzyme technology for the precise detection of miRNA-21.
View Article and Find Full Text PDFJ Mol Graph Model
March 2025
Chemical Engineering Department, Ondokuz Mayıs University, 55139, Samsun, Turkey. Electronic address:
The mechanism of the base-catalyzed thiol-epoxide stage of the thiol-ene/thiol-epoxide curing process was investigated using quantum chemical tools. This study searched for conventional tertiary amines with low to medium basicity as initiators to control reaction rates and tailor industrial applications. Challenges arise from the stronger basicity of initiators, leading to an uncontrollable and short curing application period.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
College of Chemical Engineering, Xiangtan University, Xiangtan 411105, China.
Ochratoxin A (OTA) is a compound of concern due to its potential health effects on humans. Detecting OTA in food is crucial for safeguarding public health. In this study, we fabricated a multi-DNAzyme cascade reaction-mediated colorimetric aptasensors for OTA detection, integrating autocatalytic Mg-dependent DNAzyme cleavage (MNAzyme) and an entropy-driven circuit.
View Article and Find Full Text PDFJ Org Chem
January 2025
Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest 1111, Hungary.
The condensation of dialkyl α-hydroxy-benzylphosphonates with dialkyl phosphites and that of α-hydroxybenzyl-diphenylphosphine oxide with diphenylphosphine oxide unexpectedly gave the corresponding phosphorylated α-hydroxy derivatives. This new reaction proved to be general. The formation of the two products may be similar and involves the attack of the hydroxy group of the α-hydroxyphosphonate or α-hydroxyphosphine oxide on the phosphorus atom of the trivalent tautomer form (YPOH) of the YP(O)H reagent (Y= MeO, EtO, or Ph) going with the elimination of an alcohol and water molecule, respectively.
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