Izvestiya of Saratov University.
ISSN 1816-9775 (Print)
ISSN 2541-8971 (Online)


РАН

Fragmentation Canals of Molecular Ions of GC-MS-Registered Components of Media of Shiitake Basidiomycete Submerged Cultivation in the Presence of Diacetophenonylselenide. Isomerization of Dihydrofurans and Their Cation Radicals

The molecular ions fragmentation canals of substances registered by means of the GC-MS method in the media of Lentinula edodes (shiitake) basidiomycete submerged cultivation in the presence of diacetophenonylselenide have been substantiated. At the B3LYP/6-311++G(3df,3pd) and UB3LYP/6-311++G(3df,3pd) level, involving the NBO analysis and the R. F. W. Bader’s «Atoms in Molecules» quantum theory (QTAIM), isomeric transformations of dihydrofurans have been considered.