Induction of estrogenic activity with the three medicinallicoriceextracts (G. inflata, green, filled triangles; G. glabra, brown, open diamonds; G. uralensis, blue, open hexagons). (A) ERα-dependent alkaline phosphataseactivity induction in Ishikawa cells and (B) ERβ-ERE-luciferaseassay in MDA-MB-231/β41 cells. The methods for the Ishikawaand ERE-luciferase assays are described in the ExperimentalSection. The data represent the means SEM of three independentdeterminations.
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(A) Bioassay-guided fractionation of G. inflata extract. The crude extract of G. inflata was fractionatedby countercurrent chromatography. The different G. inflata fractions were tested for their estrogenic properties on both ERαand ERβ models. Fractions 8 and 10 displayed significant activityon both the ERα and ERβ models. Fraction 8, with the highestmass yield at 2.2% w/w crude extract (see Supporting Information), was further processed by semipreparative HPLCto isolate and identify four major compounds, namely, 8-prenylapigenin(3), licochalcone C (5), licochalcone A(6), and abyssinone II (4). (B) Inductionof differential estrogenic activity with the isolated compounds fromthe active bioassay-guided fractions (A) in an alkaline phosphataseactivity induction assay in Ishikawa cells (ERα) and in an ERβ-ERE-luciferaseassay in MDA-MB-231/β41 cells. The methods for the Ishikawaand ERE-luciferase assays are described in the ExperimentalSection. The data represent the means SEM of three independentdeterminations.
The NMR experiment is usually described by a choice of three models that operate on different levels of abstraction: the vector model, the product operator formalism and the density matrix approach. The transition between these models poses a didactic challenge for teacher and student alike. A new computer program is presented, which simulates a spin system on the textbook level and compares the three approaches, with the possibility to manipulate the system at every step. It closes a gap between NMR education and professional simulation tools. Some algorithms are explained, which are used in the simulation to extract information from the density matrix.
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