The nonisothermal thermal decomposition kinetics of 4,4'-azobis-1,2,4-triazole (ATRZ) at different heating rates (5, 10, 15, and 20 °C·min) were investigated by thermogravimetry (TG) and differential scanning calorimetry (DSC) studies. The thermal decomposition kinetic parameters such as apparent activation energy () and pre-exponential factor () were calculated by the Kissinger, Ozawa, and Šatava-Šestak methods. The and values calculated by the above three methods are very close, which are 391.1 kJ·mol/1034.92 s, 381.1 kJ·mol/1034.30 s, and 393.4 kJ·mol/1035.76 s, respectively. Then, the decomposition mechanism function of ATRZ is analyzed by the calculated results. The results show that the decomposition temperature of ATRZ is about 300 °C and the exothermic decomposition speed is fast. The decomposition pathway of ATRZ was analyzed by pyrolysis-gas chromatography-mass spectrometry (PY-GC-MS). The thermal decomposition kinetic equation of the ATRZ was deduced.
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http://dx.doi.org/10.1021/acsomega.3c05501 | DOI Listing |
J Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFJ Mol Model
January 2025
Escuela Superior de Física y Matemáticas, IPN S/N, Edificio 9 de la Unidad Profesional "Adolfo López Mateos", Col. Lindavista, Alc. Gustavo A. Madero, 07738, Mexico City, Mexico.
Context: "Nanostructure of graphene-reinforced with polymethyl methacrylate" (PMMA-G), and vice versa, is investigated using its molecular structure, in the present work. The PMMA-G nanostructure was constructed by bonding PMMA with graphene nanosheet in a sense to get three different configurations. Each configuration consisted of polymeric structures with three degrees of polymerization (such as monomers, dimers, and trimers polymers, respectively).
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
School of Food & Biological Engineering, Jiangsu University, Zhenjiang 212013, China. Electronic address:
Pomegranate peel polyphenols (PPP) are natural compounds known for their various biological activities; however, they are easily degraded by environmental conditions, leading to a reduction in their biological activity and health benefits. Therefore, improving the stability of PPP is a critical question that needs to be addressed. This study aimed to evaluate the efficacy of five common microcapsule wall materials-carboxymethyl cellulose sodium (CMCNa), sodium alginate (SA), gum Arabic (GA), beta-cyclodextrin (β-CD), and hydroxypropyl starch (HPS)-in encapsulating PPP to enhance its stability and antioxidant activity.
View Article and Find Full Text PDFACS Chem Neurosci
January 2025
Faculty of Pharmaceutical Sciences, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510, Japan.
Multiacting receptor-targeting antipsychotics and tricyclic antidepressants stimulate various neurotransmitter receptors despite the different targets of postsynaptic receptors and presynaptic reuptake transporters. Their auxiliary and adverse effects may be caused by multiple targets or the modification of the neuronal membrane. To evaluate the membrane responses to olanzapine, imipramine, desipramine, amitriptyline, lidocaine, and dibucaine, we examined the inhibition of lipid peroxidation in egg yolk phosphatidylcholine liposomes.
View Article and Find Full Text PDFHeliyon
January 2025
Department of Food Science and Technology, College of Agriculture, Isfahan University of Technology, 84156-83111, Isfahan, Iran.
Packaging films based on natural biopolymers often suffer from inadequate barrier and mechanical properties. To address these challenges, multilayer films have emerged as potential solutions. In this study, we prepared bilayer films using bitter vetch seed protein (BVSP) and polylactic acid (PLA).
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