Retracted Article: A high-throughput metabolomics strategy for discovering the influence of differential metabolites and metabolic pathways of huaxian capsules on sepsis-associated Qi deficiency and blood stasis syndrome
Authors: Pei-Yang Sun
Chunpeng Du
Xiu-Li Li
Han Liu
Yang Yang
Qun Liang
Journal: RSC Advances (2019)
Discipline: CHEMISTRY
Keywords: High-throughput metabolomics; traditional Chinese medicine; Huaxian capsule; therapeutic effects; sepsis-associated Qi deficiency
Affiliations: ICU Center, First Affiliated Hospital, School of Pharmacy, Heilongjiang University of Chinese Medicine, Harbin 150040, Simon Fraser University (SFU), Burnaby, Canada

Abstract:  High-throughput metabolomics can be used to investigate the therapeutic targets and metabolic mechanisms of traditional Chinese medicine (TCM) formulae, which have multiple targets in disease therapy, but it is a great challenge to explore their mechanism of action. Huaxian capsule (HXC) is a classical formula in TCM that has therapeutic effects on a sepsis-associated Qi deficiency and blood stasis syndrome (SQBS). However, its targets and metabolic mechanisms need more investigation. To investigate the therapeutic effects of HXC in the treatment of SQBS and elucidate the potential mechanism, we used a high-throughput metabolomics strategy based on the ultraperformance liquid chromatography/mass spectrometry combined with chemometrics to analyze and identify differential metabolites and pathways. The pathological examination of organs and biochemical indices was also performed to verify the successful establishment of the rat model and protective effects of HXC. Pathological symptoms and biochemical indicators of SQBS rats were reversed by the HXC treatment. A total of 24 potential biomarkers were identified to indicate the difference between the control and model groups; they were closely associated with ten metabolic pathways and regulated by the HXC administration. From the pathway analysis, we further understood the protective activity of HXC against SQBS, which affected amino acid metabolism, molecular transport, small molecule biochemistry and cell signaling as well as vitamin and mineral metabolism. In conclusion, HXC protects against SQBS by modulating the metabolic biomarkers and functional pathways. 

Retracted: Yes

PubPeer comments:
 One wonders how papers about Qi get published in the first place. The Royal Society of Chemistry hereby wholly retracts this RSC Advances article due to concerns with the reliability of the data. The images in the article were screened by an image integrity expert. Images presented in this article have been duplicated in another publication by the authors.1 Two of the kidney images (control group and model group) in Fig. 1 are identical to images presented in Fig. 2 of ref. 1, which represent different experiments. Given the significance of the concerns about the validity of the data, the findings presented in this paper are not reliable. Qun Liang does not agree with the retraction. The other authors were informed but have not responded to any correspondence regarding the retraction. Signed: Laura Fisher, Executive Editor, RSC Advances Date: 19th January 2021 , 
 1. HPLC and ESI MS data were not pictured. Only extracted m z values were tabulated in Supplementary Materials (see below). 2. MS detector: 5500 Q-TRAP AB Sciex. It is a triple quadrupole (linear trap mode is possible) instrument with resolution power ca. 2000, so, accurate masses cannot be determined. Analyst 1.7 Software should be applied to this instrument, though Mass Hunter Qualitative Analysis (B.03.01) of Agilent Technologies is declared in the paper. 3. CID mass spectra (MS2) were declared, but not presented (even as transitions), nevertheless, quantifications are carried out. 4. Erroneous assignments (a) and m z values (b) (Table S1) Examples: a. mol formula of alanine is assigned as C12H16N2O4, adenosine: C10H14N5O7P; glucose: C6H13O9P, respectively. b. C40H71O10P, [M+H]+ tabulated m z 765.47, should be m z 743.4858 C8H20NO6P, [M+H]+, tabulated m z 257.22, should be m z 258.1101 C6H14N4O2, [M+H]+, tabulated m z 174.20, should be m z 175.1190 C4H9N3O2, [M+H]+, tabulated m z 131.13, should be m z 132.0768 C37H72NO8P, [M+H]+, tabulated m z 689.96, should be m z 690.5068 C20H28O3, [M+H]+, tabulated m z 316.43, should be m z 317.2111 Note. Tabulated m z values are calculated for neutrals, not ions! c. Unbelievable assignment (line 24): trilobinone is a plant terpenoid isolated from sage, Salvia triloba L. fil. (Labiatae); it cannot be an animal metabolite. d. Retention times (column 2) are presented chaotically to hide the absence of their correlation with structures of compounds. It is difficult to find out it why positive or negative polarity ions were taken for monitoring and quantification in each case (for example, phosphates were monitored in a positive ion mode, whereas 3-methylxantine was observed as an anion). e. Column 4: m z values are given with two decimals hence one cannot regard them as accurate masses, however, mass errors in ppm (column 6) are presented with four decimals! ,