10.1021/acsomega.8b02005.s001
Jung-Hoon Kim
Jung-Hoon
Kim
Yuvin Lee
Yuvin
Lee
Guemsan Lee
Guemsan
Lee
Eui-Jeong Doh
Eui-Jeong
Doh
Seungwoo Hong
Seungwoo
Hong
Quantitative Interrelation between
Atractylenolide I, II, and III in Atractylodes japonica Koidzumi Rhizomes, and Evaluation of Their Oxidative Transformation
Using a Biomimetic Kinetic Model
American Chemical Society
2018
Atractylenolide
Oxidative Transformation
japonica plant
UPLC
LC system
Biomimetic Kinetic Model Analytical methods
atractylenolide
oxidative enzyme
positive-ion mode
atractylenoide II
biomimetic cytochrome P 450 model
atractylenoide III
electrospray ionization
biosynthetic pathway
japonica samples
Atractylodes japonica rhizomes
heme iron model
oxidative transformation
Atractylodes japonica Koidzumi Rhizomes
C 18 column
Quantitative Interrelation
ion-trap MS
correlation
2018-11-05 11:50:14
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Quantitative_Interrelation_between_Atractylenolide_I_II_and_III_in_Atractylodes_japonica_Koidzumi_Rhizomes_and_Evaluation_of_Their_Oxidative_Transformation_Using_a_Biomimetic_Kinetic_Model/7296995
Analytical methods based on ultraperformance
liquid chromatography/ion-trap mass spectrometry (UPLC/ion-trap MS)
were developed for quantification of atractylenolide I, II, and III
in the methanol extract of Atractylodes japonica rhizomes with a C<sub>18</sub> column in an acidified water/acetonitrile
gradient eluent in an LC system, and ion-trap MS coupled with electrospray
ionization was employed under positive-ion mode. The three atractylenolides
were quantified in all A. japonica samples,
and the content of atractylenolide I, II, and III showed a significant
correlation to each other. Such high correlation was explained by
the mechanistic insights into the biosynthetic pathway of atractylenoide
III and I from atractylenoide II by using the biomimetic cytochrome
P450 model, [Fe(tmp)](CF<sub>3</sub>SO<sub>3</sub>) (tmp = <i>meso</i>-tetramesitylporphyrin). Atractylenolides could be transformed
by oxidation via the oxidative enzyme in the A. japonica plant. The present study first reports the first oxidative transformation
of atractylenolides using the heme iron model complex.