Surfaces and Interfaces
·
2026
·
IF 6
Xueying Zhang,Wei Lai,Mengdi Guo
Quality assessment of herbal medicines is complicated by their complex matrices and variability in chemical composition. In this study, a three-dimensional surface-enhanced Raman scattering (SERS) substrate was constructed for the analysis of Astragalus membranaceus extracts. The substrate consists of carboxylated carbon nanotubes (HOOC CNTs) integrated with Ti 3 C 2 T x MXene and decorated with in situ-grown silver nanoparticles (AgNPs), forming an interconnected porous network. This hierarchical architecture provides accessible plasmonic sites, while the CNT–MXene framework improves material dispersion and limits MXene restacking in aqueous media. The AgNP/HOOC CNT/Ti 3 C 2 T x substrate exhibited a measured SERS enhancement factor of 1.82 × 10 6 , together with improved signal uniformity and stability under the tested conditions. Quantitative calibration models were established for astragalosides, polysaccharides, and calycosin in A. membranaceus extracts with limited sample pretreatment, and the analytical results were compared with those obtained using reference methods. The measured chemical profiles also enabled preliminary discrimination among the investigated samples from different geographical origins and assessment of batch-to-batch variation. Among the samples included in this study, those collected from Jilin showed relatively high levels of the target constituents. These results indicate that the proposed SERS substrate has potential as a rapid analytical platform for compositional assessment and comparative quality evaluation of A. membranaceus . Further validation using larger and more geographically representative sample sets is required before the method can be applied to routine origin authentication and quality grading. Download: Download high-res image (370KB) Download: Download full-size image
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Food & Function
·
2022
·Vol. 13
·期 9
·5061-5074
·
IF 6.317
Jie Zhao,Lin Huang,Renjie Li,Zhuangwei Zhang,Jin Chen,Hongjin Tang
Gliadin, as a main component of wheat storage protein, is used as a drug encapsulation and delivery system owing to its specific characteristics. Flavonoids are regarded as active natural products with a variety of pharmacological effects. In this study, an integrated method including UV-vis, fluorescence, and FT-IR spectroscopy and molecular modelling was applied to explore the structure–affinity relationship and the interaction nature between a library of flavonoids and gliadin. The characteristic UV-vis spectral changes of gliadin mediated by flavonoids with absorption bands at 218 and 278 nm demonstrated the existence of an interaction depending on generating the ground-state complexes. Fluorescence quenching results showed that the intrinsic fluorescence of gliadin could be effectively quenched by flavonoids coupled with the formation of flavonoid–gliadin complexes through the static quenching mechanism. The structure–affinity relationship revealed the critical structural elements associated with the binding affinity on gliadin and underlined the favorable substituents at the specific positions of flavonoid skeletons leading to a stronger binding potency. From the analysis of synchronous fluorescence spectra, flavonoids could cause the conformation change of gliadin and impact the microenvironment around TYR and TRP residues. Moreover, the ANS fluorescent probe assay suggested that these flavonoids also influenced the surface hydrophobicity of glaidin based on the further exposure or blocking of hydrophobic domains. Molecular modelling was subsequently performed and illustrated the proposed binding conformation of flavonoids on gliadin. Combined with the FT-IR spectra, these results further confirmed the important role of hydrophobic interactions and hydrogen bonds in their binding process.
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FOOD CHEMISTRY
·
2020
·
IF 6.306
Jie Zhao,Lin Huang,Chunyong Sun,Dongsheng Zhao,Hongjin Tang
In this study, some flavonoids were screened as potent xanthine oxidase (XO) inhibitors in vitro . Flavonoid 9 was demonstrated to exhibit the inhibitory activity through a ping-pong mechanism. Further structure-activity relationship revealed that different structural elements had greatly influenced the inhibition effect on XO and underlined the requirement of hydroxyl groups at C5 and C4′ of flavonoid type I. Moreover, some bioactive flavonoids could efficiently quench the intrinsic fluorescence of XO by either static or static-dynamic mixed mechanism. The synchronous fluorescence, ANS-binding fluorescence, Fourier transform infrared spectra and circular dichroism suggested that active flavonoids could bind to the active center of XO, prevent the entrance of substrate, and induce the rearrangement and conformation change of its secondary structures, ultimately resulting in the significant inhibition effect. Additionally, molecular docking further confirmed these conclusions and highlighted the great importance of hydrophobic interactions and hydrogen bonds for the formation of stable complex conformation.
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2020
·
IF 3.232
Hongjin Tang,Lin Huang,Dongsheng Zhao,Chunyong Sun,Ping Song
The molecular structure properties-binding affinity relationship of a series of flavonoids and bovine serum albumin (BSA) was investigated in vitro from comparing the binding constants determined through the fluorescence method . As a result, the binding process was greatly influenced by different structural elements or substituents of flavonoids under analysis. The hydroxylation at the positions C3, C6, C4’, C5’ (for type I) and C5, C3’ (for type II) were in favor of forming hydrogen bonds with the amino acids of BSA, which was of great importance in the binding and interaction between flavonoids and the protein. The decreased affinity could be realized by the methoxylation (C8, C3’ and C4’) and glycosylation (C3 and C7) of flavonoid type I. However, the adverse trend on binding affinity was observed when the methoxylation and glycosylation appeared at the sites C4’ and C7, C4’ of structure type II, respectively. Meanwhile, glycosylation at C7 mainly induced the decline in the affinity of flavonoids (type III), and the hydrogenation of the C2 C3 double bond for type I was beneficial to increase the affinity on BSA. Moreover, part of flavonoids could mediate the conformational alteration of secondary structures of the protein during the interaction process, which was inferred by means of the synchronous fluorescence spectra . The determinations of ANS fluorescence probe suggested that hydrophobic interaction played an important role in the binding of a majority of flavonoids to BSA. Further evidences from the site-specific experiments revealed that the location of flavonoids 19 , 29 and 34 binding on BSA mainly belonged to site I, while compound 3 bound to both sites I and II. Additionally, molecular modelling studies further confirmed the indispensable character of hydrophobic interaction and hydrogen bonds, and illustrated the preferred complex binding behaviors.
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FOOD CHEMISTRY
·
2023
·
IF 8.8
Lei He,Qian Hu,Liyang Wei,Xuliyang Ge,Ning Yu,Ying Chen
An integrated metabolomics approach based on UPLC-QTOF-MS and HS-SPME-GC-orbitrap-MS was performed to investigate the dynamic changes of metabolite profiling in chickpeas, red speckled kidney beans, and mung beans during soaking. There were 23, 23, 16 non-volatile metabolites, and 18, 21, 22 volatile metabolites were identified as differential metabolites in chickpeas, red speckled kidney beans, and mung beans during soaking, respectively. These metabolites mainly included flavonoids, lysophosphatidylcholines (LPCs), lysophosphatidylethanolamines (LPEs), fatty acids, alcohols, aldehydes, and esters. The key time points responsible for the significant changes in metabolites and quality of the three pulses were 4, 8, and 24 h of soaking. Results revealed that the variations of some metabolites could attribute to oxidation and hydrolysis reactions. These results contribute to a better understanding of how soaking affects pulses quality, and provide useful information for determining soaking time according to nutritional and sensory requirements of their final products or dishes.
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MOLECULAR AND CELLULAR BIOCHEMISTRY
·
2024
·
IF 3.5
Wang Liwei,Zhang Lu,Yun Yang,Liang Tingting,Yan Chaoqun,Mao Zhuoya,Zhang Jingfang,Liu Baoshe,Zhang Jian,Liang Taigang
Occupational and unintentional exposure of zinc oxide nanoparticles (ZnONPs) raises concerns regarding their neurotoxic potential and there is an urgent need for the development of effective agents to protect against the toxic effects of ZnONPs. Astragalus memeranaceus (AM), a famous Traditional Chinese Medicine, as well as its bioactive components, showing a potential neuroprotective function. This study aims to investigate the neuroprotective effects of bioactive components of AM against ZnONPs-induced toxicity in human neuroblastoma SH-SY5Y cells and its underlying mechanisms. The cell apoptosis, ROS generation, MMP changes, mitochondrial fission/fusion, biogenesis, and mitophagy were assessed. In this study, AM treatment inhibited ZnONPs-induced cell apoptosis and ROS overproduction in SH-SY5Y cells. And astragaloside IV (ASIV) played a dominant role in the attenuation of cytotoxicity after ZnONPs exposure, rather than flavonoids and polysaccharides. ASIV treatment significantly reduced ROS generation and MMP collapse in ZnONPs-exposed cells. Furthermore, the protein expressions of mitochondrial biogenesis (PGC-1α), fusion (Mfn1 and Mfn2), and fission (Drp1) were markedly increased. Meanwhile, the PINK1/Parkin-mediated mitophagy was activated after ASIV administration, which ameliorated ZnONPs-induced SH-SY5Y cell death. Collectively, ASIV administration mitigated ZnONPs-induced cytotoxicity in SH-SY5Y cells through restoring mitochondrial quality control process, which hinted the protective role of ASIV in ZnONPs-induced neurotoxicity. Graphical abstract
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Results in Chemistry
·
2025
·
IF 4.2
Yixuan Guo,Wenqian Liu,Bingsen Qi,Ziyi Liu,Jiaxin Wang,Le Yang,Jingcun Sun,Jinlong Qi
Cerebral ischemic stroke (CIS), the most prevalent form of stroke worldwide, exerts substantial impacts on both public health and socioeconomic conditions, particularly among elderly populations. Buyang Huanwu Decoction (BYHWD) has been recognized as a representative herbal formula for the management of ischemic stroke; however, its underlying cellular and molecular mechanisms remain to be fully elucidated. Through network pharmacology prediction and in vitro experimental validation, this study elucidated the BYHWD and its active constituent, quercetin, inhibit the oxygen-glucose deprivation/reperfusion (OGD/R) injury model in HT22 neuronal cells, thereby providing experimental evidence supporting its therapeutic application in CIS. Network pharmacology analysis revealed that BYHWD constituents, including quercetin, kaempferol, stigmasterol, β-sitosterol, and baicalein, exerted their therapeutic effects through multiple signaling pathways such as the PI3K-Akt, IL-17, and TNF signaling pathways, interacting with key protein targets including AKT1, IL6, TNF-α, IL1β, and TP53. The CCK-8 assay results demonstrated that treatment with BYHWD extract and quercetin significantly improved the OGD/R-induced HT22 cells reductions in cell viability ( p < 0.05), with effects showing a concentration-dependent trend observed within a specific concentration range. Further investigations confirmed a direct interaction between quercetin and TNF-α via biomolecular interaction analysis. Moreover, both high, medium, and low concentrations of BYHWD and quercetin significantly reduced TNF-α protein expression in the OGD/R-induced HT22 cells ( p < 0.05). Western blot analysis corroborated the inhibitory effect of quercetin on TNF-α protein expression under the same experimental conditions. BYHWD demonstrates a multi-component, multi-target, and multi-pathway mechanism of action in the treatment of CIS. TNF-α and quercetin are identified as key therapeutic targets and active components, respectively. Both BYHWD and quercetin effectively mitigate TNF-α-mediated inflammatory responses and ameliorate cellular injury in the OGD/R-induced HT22 cells.
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AMERICAN JOURNAL OF REPRODUCTIVE IMMUNOLOGY
·
2025
·Vol. 93
·期 5
·e70084
·
IF 2.4
Heng Wang,Zhaofei Liu,Xiangjun Xu,Haitao Zhang,Lei He,Ming Li
Background Chronic prostatitis (CP), a frequent male urological disease, is featured with chronic pelvic pain and various discomfort. Calycosin has anti-inflammatory effect and its exact mechanism in CP remains unknown. Objective Our research was designed to explain the underlying mechanism of calycosin in CP and illustrate our findings in the rats and LPS-ATP-induced RWPE-1 cells. Methods The pathology of prostate tissues was analyzed by HE staining and histological inflammation score. The concentration of inflammatory factors were detected via ELISA assay. Besides, the representative biomarkers of oxidative stress were measured through detection kits. The ROS production, NLRP3 and GSDMD expression were evaluated by immunofluorescence or immumohistochemical staining. Furthermore, the expression of NF-kBp65 pathway-associated proteins and pyroptosis-associated proteins were detected by western blotting. RWPE-1 cells growth and pyroptosis were assessed by CCK-8 and flow cytometry, respectively. mRNA levels of pyroptosis markers were detected by qRT-PCR analysis. Results The CP model in vivo and in vitro was successfully established by carrageenan and LPS-ATP, respectively. Calycosin substantially ameliorated the pathological damage of prostate tissue. Moreover, calycosin treatment promoted RWPE-1 cells viability and reduced pyroptosis. Calycosin remarkably reduced the inflammatory factors secretion and oxidative stress markers. Calycosin stimulation effectively suppressed the pyroptosis, which was linked with inactivation of the NF-kBp65 signaling pathway. These beneficial effects of calycosin were similar to the NLRP3 inhibitor (MCC950). Conclusion To sum up, our observations indicated that calycosin protects against CP via suppressing inflammation, oxidative stress, and pyroptosis through NF-kBp65 pathway, thereby serving as a promising therapy for CP treatment.
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Food Frontiers
·
2025
·Vol. 6
·期 2
·1058-1078
·
IF 6.9
Haolin Zhang,Jingjing Zhang,Hui Cao,Petra Högger,Randolph Arroo,Mohamed A. Farag,Avi Shpigelman,Jianbo Xiao,Chunlin Li
A class of flavonoid aminated derivatives that had been consistently overlooked in literature was shown to be formed as artefacts in cell culture medium. In this study, 34 flavonoids from different subclasses were incubated in Dulbecco's modified Eagle's Medium (DMEM) at 37°C for 2 h to identify the reaction mechanism behind aminated derivatives formation from flavonoids. Baicalein, scutellarein, dihydromyricetin, (−)-gallocatechin (GC), (−)-epigallocatechin (EGC), (−)-GC gallate, and (−)-EGC gallate were found to yield corresponding nitrogenous derivatives in both DMEM and amino acid solution. The nitrogen source of these seven flavonoid -aminated derivatives was revealed to be amino acids in DMEM. The pyrogallol group of the flavonoids was a key structural motif, being first oxidized into quinone and then further reacting with amino acids (Strecker degradation) to yield aminated flavonoids and corresponding aldehydes. A slightly alkaline environment accelerated the amination of flavonoids, possibly via the formation of flavonoid quinone. These results provide the mechanistic evidence for the in vitro generation of flavonoid -aminated derivatives, yet to be tested using in vivo assays.
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