Quantum-chemical and ir spectroscopic analysis of aminophenol derivatives with antiviral activity

2012 ◽  
Vol 79 (5) ◽  
pp. 687-694 ◽  
Author(s):  
O. K. Bazyl’ ◽  
V. Ya. Artyukhov ◽  
G. V. Mayer ◽  
G. B. Tolstorozhev ◽  
M. V. Bel’kov ◽  
...  
2018 ◽  
Vol 20 (5) ◽  
pp. 3265-3276 ◽  
Author(s):  
Toshihiko Shimizu ◽  
Kenro Hashimoto ◽  
Masahiko Hada ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii

Quantum chemical calculations indicate that the critical size of GSPT is n = 9, supporting the IR spectroscopic analysis.


2017 ◽  
Vol 72 (6) ◽  
pp. 393-396
Author(s):  
Liangyan Liu ◽  
Jun Han ◽  
Yong Shen

AbstractTwo new defensive constituents, solatuberenol A (1) and 3-O-β-d-glucopyranosyl stigmasta-5(6),24(28)-diene (2), were isolated from the potato tubers (Solanum tuberosum) infected with late blight disease. Their structures were identified by extensive spectroscopic analysis, including HRMS, IR, UV, 1D/2D NMR, ECD and quantum chemical calculations. Compounds 1 and 2 showed moderate activity against Phytophthora infestans with mycelia-growth inhibition of 30.1% and 52.4%, respectively, at the concentration of 500 ppm.


2013 ◽  
Vol 17 (3) ◽  
pp. 339-344 ◽  
Author(s):  
A. M. Tsikin ◽  
Y. B. Monakhova ◽  
S. P. Kurchatkin ◽  
S. P. Mushtakova

Marine Drugs ◽  
2019 ◽  
Vol 17 (11) ◽  
pp. 596 ◽  
Author(s):  
Zhaoming Liu ◽  
Zhen Fan ◽  
Zhanghua Sun ◽  
Hongxin Liu ◽  
Weimin Zhang

Dechdigliotoxins A–C (1–3), which represented the first examples of gliotoxin dimers with an unprecedented exocyclic disulfide linkage, were obtained from a deep-sea derived fungus Dichotomomyces cejpii FS110. The structures of these compounds were elucidated on the basis of spectroscopic analysis and the absolute configurations were unambiguously determined through quantum chemical calculations, as well as DP4+ probability simulations. The proposed biosynthetic pathway suggested 1–3 were generated from unusual L-Phe and D-Ser. All the isolates were evaluated for their cytotoxicity against four tumor cell lines.


1999 ◽  
Vol 48 (1) ◽  
pp. 93-97 ◽  
Author(s):  
P. G. Sennikov ◽  
M. A. Ikrin ◽  
S. K. Ignatov ◽  
A. A. Bagatur'yants ◽  
E. Yu. Klimov

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