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A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi
Author(s) -
Hanssen Kine Ø.,
Schuler Bruno,
Williams Antony J.,
Demissie Taye B.,
Hansen Espen,
Andersen Jeanette H.,
Svenson Johan,
Blinov Kirill,
Repisky Michal,
Mohn Fabian,
Meyer Gerhard,
Svendsen JohnSigurd,
Ruud Kenneth,
Elyashberg Mikhail,
Gross Leo,
Jaspars Marcel,
Isaksson Johan
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201203960
Subject(s) - indole test , oxazole , atomic force microscopy , pyrrole , chemistry , visualization , computational chemistry , crystallography , materials science , combinatorial chemistry , stereochemistry , nanotechnology , organic chemistry , computer science , artificial intelligence
Turning a new leaf : The first structures isolated from Thuiaria breitfussi , the breitfussins, are presented. This structural class consists of indole–oxazole–pyrrole units. Limited quantities prevented crystallization; therefore, the structures were solved using a novel combination of AFM, computer‐aided structure elucidation (CASE), and DFT calculations. Visualization by AFM determined all the connection points of the cyclic systems and the other substituents.