Details

Autor(en) / Beteiligte

• Bhandari Neupane, Jayanti
• Neupane, Ram P
• Luo, Yuheng
• Yoshida, Wesley Y
• Sun, Rui
• Williams, Philip G

Titel

Characterization of Leptazolines A–D, Polar Oxazolines from the Cyanobacterium Leptolyngbya sp., Reveals a Glitch with the “Willoughby–Hoye” Scripts for Calculating NMR Chemical Shifts

Ist Teil von

• Organic letters, 2019-10, Vol.21 (20), p.8449-8453

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2019

Quelle

MEDLINE

Beschreibungen/Notizen

• The bioactivity-guided examination of a Leptolyngbya sp. led to the isolation of leptazolines A–D (1–4), from the culture media, along with two degradation products (5 and 6). Density functional theory nuclear magnetic resonance calculations established the relative configurations of 1 and 2 and revealed that the calculated shifts depended on the operating system when using the “Willoughby–Hoye” Python scripts to streamline the processing of the output files, a previously unrecognized flaw that could lead to incorrect conclusions.