Ethnopharmacological Relevance: Gastrodia elata, also known as Chijian, belongs to the Orchidaceae family of plants. The "Compendium of Materia Medica" records that Gastrodia elata treats "confused speech, excessive fear, and loss of willpower". Gastrodin (GAS) is the main bioactive component of Gastrodia elata.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2025
To develop chemical kinetic models for the pyrolysis and combustion of pentacyclic carbonates, including ethylene carbonate (EC), propylene carbonate (PC), 2,3-butylene carbonate (23BC), and 1,2-butylene carbonate (12BC), which are always focused on in the battery industry as representative solvents and alternative fuels, theoretical aspects of unimolecular decomposition reactions were studied. According to the calculations, CO, H, and CH elimination channels and isomerization channels were found based on the potential energy surface of the unimolecular decomposition channels. These pentacyclic carbonates predominantly tend to eliminate CO, thereby generating aldehydes, ketones, and oxiranes.
View Article and Find Full Text PDFAlzheimer's disease (AD) is a major cause of dementia, a life-threatening condition for which there is currently no cure. Currently, the treatment of AD focuses on reducing the accumulation of amyloid β-protein (Aβ) and the phosphorylation of Tau proteins (Tau). However, simply reducing pathological features does not completely improve AD.
View Article and Find Full Text PDFCerebral glycolytic alteration has been identified as an important contributor to the pathological progress of Alzheimer's disease (AD). Research has shown that gastrodin (GAS) possesses neuroprotection in various experimental models of AD, but its specific mechanism remains unclear. In this study, we determined whether GAS exerted neuroprotective effects on AD models through regulating PI3K/AKT/BACH1 signaling axis.
View Article and Find Full Text PDFFront Aging Neurosci
August 2023
Objective: To investigate the mechanism of RNA-binding protein hnRNP A1 in mouse hippocampal neurons (HT22) on glycolysis.
Methods: RIP and CLIP-qPCR were performed by HT22 to observe the mechanism of hnRNP A1 regulating the expression of key proteins in glycolysis. The RNA binding domain of hnRNP A1 protein in HT22 was inhibited by VPC-80051, and the effect of hnRNP A1 on glycolysis of HT22 was observed.
The catalytic removal of C2H2 by Cu2O was studied by investigating the adsorption and partial oxidation mechanism of C2H2 on both perfect (stoichiometric) and CuCUS-defective Cu2O (111) surface models using density functional theory calculations. The chemisorption of C2H2 on perfect and defective surface models needs to overcome the energy barrier of 0.70 and 0.
View Article and Find Full Text PDFThis work reports the thermochemistry calculations for solid-phase periodic models of ten popular transition metal-based species. These model structures were refined to stable geometry by geometric optimization along with calculating the thermodynamic properties including enthalpy, entropy, heat capacity at constant pressure, and Gibbs free energy by DMol package via first-principles ab initio calculations. The temperature-dependent thermochemistry values were converted to a NASA seven-polynomial format.
View Article and Find Full Text PDFSci Bull (Beijing)
May 2019
Efficient mixing and thermal control are important in the flow reactor for obtaining a high product yield and selectivity. Here, we report a heterogeneous chemical kinetic study of propene oxidation within a newly designed catalytic jet-stirred reactor (CJSR). To better understand the interplay between the catalytic performances and properties, the CuO thin films have been characterized and the adsorbed energies of propene on the adsorbed and lattice oxygen were calculated using density functional theory (DFT) method.
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