Structural Study and Fluorescent Property of a Novel Organic Microporous Crystalline Material

Cheng, Zhao; Yang, Bojun; Yang, Meipan; Zhang, Binglin

doi:10.5935/0103-5053.20130276

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“…The lower window of the detector electronics was increased using Si-Einkristalle at the default value of 0.11–0.19 V to minimize the effects of fluorescence. The Rietveld refinement technique [ 83 , 84 , 85 ] with software suite Diffrac TOPAS 4.2 [ 33 , 86 , 87 , 88 ] was used to determine the L1 structure. The single-crystal structure of L1 , used to compare our results, has been previously reported [ 34 ].…”

Section: Methodsmentioning

confidence: 99%

Structural Characterization, DFT Calculation, NCI, Scan-Rate Analysis and Antifungal Activity against Botrytis cinerea of (E)-2-{[(2-Aminopyridin-2-yl)imino]-methyl}-4,6-di-tert-butylphenol (Pyridine Schiff Base)

et al. 2020

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Botrytis cinerea is a ubiquitous necrotrophic filamentous fungal phytopathogen that lacks host specificity and can affect more than 1000 different plant species. In this work, we explored L1 [(E)-2-{[(2-aminopyridin-2-yl)imino]-methyl}-4,6-di-tert-butylphenol], a pyridine Schiff base harboring an intramolecular bond (IHB), regarding their antifungal activity against Botrytis cinerea. Moreover, we present a full characterization of the L1 by NMR and powder diffraction, as well as UV–vis, in the presence of previously untested different organic solvents. Complementary time-dependent density functional theory (TD-DFT) calculations were performed, and the noncovalent interaction (NCI) index was determined. Moreover, we obtained a scan-rate study on cyclic voltammetry of L1. Finally, we tested the antifungal activity of L1 against two strains of Botrytis cinerea (B05.10, a standard laboratory strain; and A1, a wild type strains isolated from Chilean blueberries). We found that L1 acts as an efficient antifungal agent against Botrytis cinerea at 26 °C, even better than the commercial antifungal agent fenhexamid. Although the antifungal activity was also observed at 4 °C, the effect was less pronounced. These results show the high versatility of this kind of pyridine Schiff bases in biological applications.

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