Theoretical design and preparation research of molecularly imprinted polymers for steviol glycosides

Zhu, Yajie; Ding, Yan; Tian, Dongxu; Li, Yan; Zhuang, Linwu; Wang, Yinpeng; Xiao, Wei; Zhu, Jingbo

doi:10.1007/s00894-021-04819-9

Cited by 4 publications

(1 citation statement)

References 30 publications

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“…Additionally, the presence of positive electrostatic regions around hydrogen atoms in the hydroxyl group suggests electrophilic reactivity. This result is consistent with the study of ST by Zhu et al [38], although a different basis set was used (6-31 + G(d,p)). The main reactive sites are two oxygen and two hydrogen atoms as the electron donor and acceptor, respectively, from both the carboxyl and hydroxyl groups.…”

Section: Dft Insights Into Surface Adsorption and Reactivitysupporting

confidence: 91%

Enhanced Surface Properties of TiO2-Based Coatings via Stevia-Assisted Spark Suppression: Insights from Density Functional Theory Calculations

Kaseem,

Safira,

Fattah-alhosseini

2024

Inorganics

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This study investigates the enhancement of surface properties in TiO2-based coatings on the Ti-6Al-4V alloy through micro-arc oxidation (MAO), employing stevia sugar as a novel additive. By incorporating stevia sugar into acetate–glycerophosphate–tetraethoxysilane solutions used in MAO treatment, the porous morphology of TiO2-based oxide layers is regulated. The incorporation of stevia moderates plasma discharge intensity, facilitating the formation of a uniform silicon-rich structure characterized by reduced porosity and pore size. This effect is attributed to the interaction between stevia and tetraethyl orthosilicate (TEOS), which modifies the TEOS hydrolysis process, thereby enhancing structural uniformity and stability while concurrently reducing plasma discharge intensity. Additionally, theoretical calculations offer a valuable understanding of the reactivity and interactions of stevia, TEOS, and their complex during the MAO process, laying the groundwork for further research and optimization in this promising field.

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Section: Dft Insights Into Surface Adsorption and Reactivitysupporting

confidence: 91%