•Effects of sulfur fumigation and heating desulfurization on CR's quality were studied.•Untargeted/targeted metabolomics and targeted glycomics were integrated to address the effects.•The two ...processes changed CR's non-saccharide small-molecule metabolome and glycome.•The two processes significantly affected the quality of CR in different ways.•Researches on heating desulfurization and saccharides should be more conducted.
Sulfur fumigation and heating desulfurization are used together in the post-harvest processing of many medicinal herbs. However, little is known about the effects of sulfur fumigation on saccharide components, nor about the effects of heating desulfurization on all herbal constituents. In this study, metabolomics and glycomics were integrated to investigate the effects of these two processes on the chemistry of Codonopsis Radix (CR) as a pilot study. The results showed that both sulfur fumigation and heating desulfurization significantly changed the non-saccharide small-molecule metabolome and the glycome of CR in different ways. Chemical mechanisms, such as esterification, glycosidic hydrolysis, esterolysis, amide bond hydrolysis, oxidation and dehydration, are proposed to be involved. These facts strongly inspire that, in addition to investigations of how sulfur fumigation impacts non-saccharide small-molecule metabolites, researches on heating desulfurization and saccharides should be conducted so as to enable accurate, comprehensive evaluation of the quality of sulfur-fumigated herbs.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Cicadae Periostracum (CP) is a traditional Chinese medicinal herb derived from the slough that is molted from the nymph of the insect
Fabricius. Washing with water to remove residual silt is a ...primary processing method of CP that is recommended by the Chinese Pharmacopoeia, but how washing methods affect the quality and bioactivity of CP is unknown. In this study, the quality and bioactivity of non-washed CP (CP-NW), post-molting-washed CP (CP-WAT), and pre-molting-washed CP (CP-WBT) were comparatively investigated. The quality of these CP samples was evaluated in terms of the UPLC-QTOF-MS/MS-based chemical profiling and semi-quantification of 39
-acetyldopamine oligomers (belonging to six chemical types), the HPLC-UV-based quantification of 17 amino acids, the ICP-MS-based quantification of four heavy metals, and the contents of ash; the bioactivities of the samples were compared regarding their anti-oxidant and anti-inflammatory activities. It was found that, compared with CP-NW, both CP-WBT and CP-WAT had significantly lower contents of ash and heavy metals. Moreover, compared with CP-WAT, CP-WBT contained lower levels of total ash, acid-insoluble ash, and heavy metals and higher contents of
-acetyldopamine oligomers and amino acids. It also had enhanced anti-oxidant and anti-inflammatory activities. A Spearman's correlation analysis found that the contents of
-acetyldopamine oligomers and free amino acids were positively correlated with the anti-oxidant/-inflammatory activities of CP. All these results suggest that pre-molting washing can not only remove the residual silt but can also avoid the loss of the bioactive components and assure higher bioactivities. It is concluded that pre-molting washing could enhance the quality and bioactivity of CP and should be a superior alternative method for the primary processing of qualified CP.
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IZUM, KILJ, NUK, PILJ, PNG, SAZU, UL, UM, UPUK
High-strength steel (HSS) members with welded sections exhibit a notably lower residual compressive stress ratio compared with common mild steel (CMS) members. Despite this difference, current codes ...often generalize the findings from CMS members to HSS members, and the previous unified residual stress models are generally conservative. This study focuses on the membrane residual stress distribution in Q690 steel welded box sections. By leveraging experimental results, the influence of section sizes and welding parameters on membrane residual stress was delved into. A larger plate size correlates with a decrease in the residual compressive stress across the section, with a more pronounced reduction observed in adjacent plates. Additionally, augmenting the number of welding passes tends to diminish residual stresses across the section. Results showed that membrane residual stress adhered to the section's self-equilibrium, while the self-equilibrium in the plates was not a uniform pattern. A reliable residual stress simulation method for Q690 steel welded box sections was established using a three-dimensional thermal-elastic-plastic finite element model (3DTEFEM) grounded in experimental data. This method served as the cornerstone for parameter analysis in this study and set the stage for subsequent research. As a result, an accurate unified residual stress model for Q690 steel welded box sections was derived.
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IZUM, KILJ, NUK, PILJ, PNG, SAZU, UL, UM, UPUK
Poria cocos (Schw.) Wolf (Poria) is a well-known traditional medicinal fungus. It has been considered to possess spleen-invigorating (Jianpi) effects in traditional Chinese medicine, and is used ...clinically to treat spleen deficiency (Pixu) with symptoms of intestinal disorders such as diarrhea, indigestion, mucositis and weight loss.
To investigate the protective effects of Poria and its three component fractions (Water-soluble polysaccharides, WP; alkali-soluble polysaccharides, AP; triterpene acids, TA) on cisplatin-induced intestinal injury and explore the underlying mechanisms.
C57BL/6 mice were treated with Poria powder (PP), WP, AP and TA by oral gavage respectively for 13 days, and intraperitoneally injected with 10 mg/kg of cisplatin on day 10 to conduct a cisplatin-induced intestinal injury model. Pathological changes of ileum and colon were examined using H&E staining. The composition of gut microbiota and the alteration of host metabolites were characterized by 16S rDNA amplicon sequencing and UPLC-QTOF-MS/MS based untargeted metabolomics analysis.
PP and WP attenuated the cisplatin-induced ileum and colon injury, and WP alleviated the weight loss and reversed the elevation of IL-2, IL-6 in serum. Both PP and WP could mitigate cisplatin-induced dysbiosis of gut microbiota, in particular PP and WP decreased the abundance of pathogenic bacteria including Proteobacteria, Cyanobacteria, Ruminococcaceae and Helicobacteraceae, while WP promoted the abundance of probiotics, such as Erysipelotrichaceae and Prevotellaceae. Moreover, WP attenuated the cisplatin-induced alteration of metabolic profiles. The levels of potential biomarkers, including xanthine, L-tyrosine, uridine, hypoxanthine, butyrylcarnitine, lysoPC (18:0), linoleic acid, (R)-3-hydroxybutyric acid, D-ribose, thiamine monophosphate, indolelactic acid and plamitic acid, showed significant correlations with intestinal flora.
PP and WP possess protective effects against cisplatin-induced intestinal injury via potentially regulating the gut microbiota and metabolic profiles.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Introduction
Apocyni Veneti Folium (AVF) is a commonly used traditional Chinese medicinal herb for the treatment of hypertension. Chemical markers are crucial for the quality control of herbal ...medicines; however, the therapeutic components of AVF remain to be well elucidated.
Objectives
This study was intended to integrate serum pharmacochemistry and network pharmacology to identify chemical markers of AVF and establish an efficacy‐related quality control method of AVF.
Material and methods
Ultra‐performance liquid chromatography quadrupole time‐of‐flight tandem mass spectrometry (UPLC‐QTOF‐MS/MS) was applied to identify the absorbed AVF constituents in rat serum. Network pharmacology was further used to identify anti‐hypertension‐related chemical markers. Subsequently, a quantitative method was established using UPLC with diode array detection (DAD) and applied for quality evaluation of commercial AVF samples.
Results
Thirteen prototype constituents were unequivocally or tentatively characterized in serum samples, among which quercetin, kaempferol, hyperoside, isoquercitrin, chlorogenic acid, cryptochlorogenic acid, and neochlorogenic acid were identified as dominant chemicals related to anti‐hypertensive efficacy. The quantitative data showed that the total contents of seven marker components even showed 2‐fold variation among 14 batches of commercial AVF samples with RSD values ranging from 12.15% to 75.61%. Hierarchical cluster analysis and heatmap analysis showed that 14 batches of commercial AVF samples could be divided into three main groups.
Conclusion
The chemical markers obtained from this study could be applicable for efficacy‐related quality control of AVF.
The efficacy‐related chemical markers of Apocyni Veneti Folium (AVF) were discerned by integrating ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry (UPLC‐QTOF‐MS)‐based serum pharmacochemistry and network pharmacology. The results showed that four flavonoids (quercetin, kaempferol, hyperoside, and isoquercitrin) and three polyphenols (chlorogenic acid, cryptochlorogenic acid, and neochlorogenic acid) were dominant chemicals related to anti‐hypertension efficacy. Moreover, a quantitative method of these seven constituents was established using UPLC‐diode array detection (DAD) to evaluate the quality of commercial AVF samples.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Introduction
Sulfur‐fumigation of Paeoniae Radix Alba (PRA) could induce the chemical transformation of its bioactive component paeoniflorin into a sulfur‐containing derivative paeoniflorin sulfite, ...and thus alter the quality, bioactivities, pharmacokinetics, and toxicities of PRA. However, how sulfur‐fumigated PRA (S‐PRA) affects the quality of PRA‐containing complex preparations has not been intensively evaluated.
Objectives
We intend to evaluate the influence of S‐PRA on the overall quality of three kinds of Si‐Wu‐Tang (SWT) formulations, i.e., decoction (SWT‐D), granule (SWT‐G), and mixture (SWT‐M).
Material and Methods
An UPLC‐DAD multi‐components quantification method was used to compare the transfer rates of paeoniflorin sulfite and other 10 bioactive components between S‐PRA‐containing and NS‐PRA‐containing SWT formulations. An UPLC‐QTOF‐MS/MS‐based target metabolomics approach was applied to explore the differential sulfur‐containing derivatives in S‐PRA‐containing SWT formulations.
Results
The transfer rates of paeoniflorin sulfite in three S‐PRA‐containing SWT formulations were all higher than 100%. Moreover, S‐PRA also increased the transfer rate of 5‐hydroxymethylfurfural, 1,2,3,4,6‐O‐pentagalloylglucose, whereas decreased that of paeoniflorin, albiflorin, and ferulic acid in three SWT formulations. Six pinane monoterpene glucoside sulfites originally identified in S‐PRA, were also detectable in three S‐PRA‐containing SWT formulations. In addition, seven phenolic acid sulfites including (3Z)‐6‐sulfite‐ligustilide, (3E)‐6‐sulfite‐ligustilide, 6,8‐disulfite‐ligustilide, ferulic acid sulfite, neochlorogenic acid sulfite, chlorogenic acid sulfite, and angelicide sulfite (or isomer) were newly identified in these three S‐PRA‐containing formulations.
Conclusion
S‐PRA could differentially affect the transfer rate of paeoniflorin sulfite and other bioactive components during the preparation of three SWT formulations and subsequently the overall quality thereof.
A strategy integrating UPLC‐QTOF‐MS/MS and UPLC‐DAD was developed to evaluate the influence of sulfur‐fumigated Paeoniae Radix Alba (S‐PRA) on the overall quality of three Si‐Wu‐Tang (SWT) formulations. The results showed that S‐PRA could not only differentially affect the transfer rate of paeoniflorin sulfite and the other bioactive components, but also induce the chemical transformation of other bioactive compounds to their sulfur‐containing derivatives in three SWT formulations during the preparation process. In conclusion, S‐PRA could differentially affect the overall quality of three SWT formulations.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Oral decoctions of traditional Chinese medicines (TCMs) serve for therapeutic and prophylactic management of diseases for centuries. Small molecules and polysaccharides are the dominant chemicals ...co-occurred in the TCM decoction. Small molecules are well-studied by multidisciplinary elaborations, whereas the role of polysaccharides remains largely elusive. Here we explore a gut microbiota-involved mechanism by which TCM polysaccharides restore the homeostasis of gut microbiota and consequently promote the systemic exposure of concomitant small molecules in the decoction. As a case study, ginseng polysaccharides and ginsenosides in Du-Shen-Tang, the decoction of ginseng, were investigated on an over-fatigue and acute cold stress model. The results indicated that ginseng polysaccharides improved intestinal metabolism and absorption of certain ginsenosides, meanwhile reinstated the perturbed holistic gut microbiota, and particularly enhanced the growth of Lactobacillus spp. and Bacteroides spp., two major metabolic bacteria of ginsenosides. By exploring the synergistic actions of polysaccharides with small molecules, these findings shed new light on scientization and rationalization of the classic TCM decoctions in human health care.
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IZUM, KILJ, NUK, PILJ, PNG, SAZU, UL, UM, UPUK
Introduction
Zishui‐Qinggan decoction (ZQD) is a classical traditional Chinese medicine formula (TCMF) for alleviating menopausal symptoms (MPS) induced by endocrine therapy in breast cancer ...patients. In the production of TCMF modern preparations, ethanol precipitation (EP) is a commonly but not fully verified refining process.
Objectives
Chemical profiling/serum pharmacochemistry and network pharmacology approaches were integrated for exploring the rationality of the EP process in the production of ZQD modern preparations.
Material and methods
Ultra‐performance liquid chromatography–quadrupole time‐of‐flight tandem mass spectrometry (UPLC‐QTOF‐MS/MS) was applied to identify the chemical profiles and absorbed components of ZQD. Network pharmacology was used to identify targets and pathways related to MPS‐relieving efficacy.
Results
The chemicals of ZQDs without/with EP process (referred to as ZQD‐W and ZQD‐W‐P, respectively) were qualitatively similar with 89 and 87 components identified, respectively, but their relative contents were different; 51 components were detectable in the serum of rats orally administered with ZQD‐W, whereas only 19 were detected in that administered with ZQD‐W‐P. Key targets, such as AKT1, and pathways, such as the PI3K‐Akt signalling pathway, affected by ZQD‐W and ZQD‐W‐P were similar, while the neuroactive ligand–receptor interaction pathway among others and the MAPK signalling pathway among others were specific pathways affected by ZQD‐W and ZQD‐W‐P, respectively. The specifically absorbed components of ZQD‐W could combine its specific key targets.
Conclusion
The EP process quantitatively altered the chemical profiles of ZQD, subsequently affected the absorbed components of ZQD, and then affected the key targets and pathways of ZQD for relieving MPS. The EP process might result in variation of the MPS‐relieving efficacy of ZQD, which deserves further in vivo verification.
The ethanol precipitation process quantitatively altered the chemical profiles of ZQD, subsequently affected the absorbed components of ZQD, and then affected the key targets and pathways of ZQD for relieving MPS. The ethanol precipitation process might result in variation of MPS‐relieving efficacy of ZQD, which deserves further in vivo verification.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Pyrolysis is a promising technology to reclaim glass fibers from end-of-life wind turbine blades (WTBs), while the pyrolysis atmosphere has significant effects on the depolymerization of WTBs and the ...mechanical properties of recovered fibers. In this study, the pyrolysis performance of commercial end-of-life WTBs under different atmospheres was investigated as well as their effects on the mechanical properties of recovered fibers. The results showed that the pyrolysis gas in N2 atmosphere mainly consisted of CO2, CH4, and CO, and its calorific value was 22.53 MJ/Nm3. Various phenolic compounds were also recovered in the pyrolysis oil. After the post-oxidation of pyrolysis solid products, clean glass fibers could be reclaimed successfully. H2O was an effective gasifying agent in accelerating the decomposition of epoxy resins at 500 °C, which increased the yields of pyrolysis gas and phenolic products while inhibited the formation of char. Besides, the reactivity of residual char was improved, thereby promoting their oxidization in the post-oxidization process but causing the thermal-oxidative diffusion of surface flaws, which slightly degraded the tensile strength of recovered fibers by 5.97%. CO2 suppressed the cracking of epoxy resins and contributed to the simultaneous accumulation of uncracked resins and pyrolysis char, which then aggravated the diffusion of surface flaws by thermal oxidization and uneven heating in the post-oxidation, thereby degrading the tensile strengths of recovered fibers by 16.02%.
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•End-of-life wind turbine blades were pyrolyzed under different atmospheres.•Phenolic compounds were recovered in the pyrolysis oil of wind turbine blades.•H2O promoted the cracking of epoxy resins and improved the reactivity of char.•CO2 inhibited the cracking of resins and accumulated organic residuals over fibers.•Diffusion of surface flaws degraded the tensile strength of the recovered fibers.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Previous studies have focused on the detection of community structures of brain networks constructed with resting-state functional magnetic resonance imaging (fMRI) data. Pearson correlation is often ...used to describe the connections between nodes in the construction of functional brain networks, which typically ignores the inherent timing and validity of fMRI time series. To solve this problem, this study applied the Dynamic Time Warp (DTW) algorithm to determine the correlation between two brain regions by comparing the synchronization and asynchrony of the time series. In addition, to determine the best community structure for each subject, we further divided the brain network into different scales, and then detected the different communities in these brain networks by using Modularity, Variation of Information (VI) and Normalized Mutual Information (NMI) as structural monitoring variables. Finally, we affirmed each subject's best community structure based on them. The experiments showed that through the method proposed in this paper, we not only accurately discovered important components of seven basic functional subnetworks, but also found that the putamen and Heschl's gyrus have a relationship with the inferior parietal network. Most importantly, this method can also determine each subject's functional brain network density, thus confirming the findings of studies testing real brain networks.
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