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Food & Function · 2020 ·Vol. 11 ·期 4 ·3332-3350 · IF 4.171

Exploring the structure–activity relationship and interaction mechanism of flavonoids and α-glucosidase based on experimental analysis and molecular docking studies

Hongjin Tang,Lin Huang,Chunyong Sun,Dongsheng Zhao

α-Glucosidase (AG) has always been an indispensable drug target for the treatment of type 2 diabetes. Herein, an integrated method consisting of enzyme kinetics, multi-spectroscopy assay and molecular simulations was used to investigate the structure–activity relationship and interaction mechanism of flavonoids and AG. As a result, a small amount of flavonoids was found to present excellent inhibitory activity on AG, such as 3, 5, 6, 8, 10, 17, 19, 21, 22 and 34. Further analysis of the structure–activity relationship illustrated that hydroxylation at the positions C3, C6, C3′ and C4′ of flavonoids caused an increase in the inhibitory activity of AG, whereas the methoxylation at the corresponding positions would decrease the activity. Also, it was found that the glycosylation and hydrogenation of the C2C3 double bond would distinctly reduce the inhibition potency. Therefore, various groups at different positions of flavonoids exhibited an upward and downward tendency in the activity. According to the fluorescence quenching assay, all of the test flavonoids could effectively quench the intrinsic fluorescence of AG based on either the static or mixed static–dynamic mechanism. Besides, the thermodynamic parameters of the representative flavonoid 19 revealed the spontaneous characteristic of the binding process with AG, and highlighted the critical role of the hydrophobic interaction and hydrogen bonds. Moreover, the results obtained from the synchronous fluorescence, ANS-binding fluorescence, Fourier transform infrared and circular dichroism spectra illustrated that these active flavonoids could bind to the active site of AG and induce the rearrangement and conformation change of its secondary structures, which resulted in a significant inhibitory activity. Additionally, molecular modelling visualized the preferred binding conformation of flavonoids on AG, and further confirmed the great importance of the hydrophobic interaction and hydrogen bonds in the interaction. Such findings provided new insights for understanding the proposed interaction behavior between flavonoids and AG, and were helpful to develop novel AG inhibitors relying on the flavonoid scaffold for the treatment of type 2 diabetes.

✓ 已验证 DOI PubMed 高影响因子
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2017 · IF 9.446

Aligned α-FeOOH nanorods anchored on a graphene oxide-carbon nanotubes aerogel can serve as an effective Fenton-like oxidation catalyst

Yuyang Liu,Xuemin Liu,Yaping Zhao,Dionysios D. Dionysiou

The self-assembled synthesis of a hierarchical graphene oxide (GO)-carbon nanotubes (CNTs)-α-FeOOH decorated composite aerogel (α-FeOOH@GCA) through a facile in-situ hydrolysis route is reported for the first time and the materials was tested for its performance as Fenton-like catalyst. The introduction of GO-CNTs clearly mediated the morphology to aligned α-FeOOH nanorods ( ca. 100   nm) within aerogel matrix comparing with pristine urchin-like α-FeOOH three-dimensional microstructures ( ca. 1   μm). This three dimensional porous aerogel network provided efficient charge/mass-transfer leading to great enhancement of the catalytic activity of α-FeOOH. The outstanding catalytic performance of this composite in degradation of organics with different charge and structure, i.e. Orange II (OII), rhodamine B (RhB), methylene blue (MB), phenol and endocrine disruptor bisphenol A (BPA) was demonstrated. For example, the discoloration of OII with pseudo first-order rate constant of 0.10   min −1 significantly exceeded that of pristine α-FeOOH. At relatively low concentration of α-FeOOH@GCA catalyst (125   mg   L −1 ) and H 2 O 2 (0.55   mM) showed excellent catalytic activity for efficient (∼99%) discoloration of OII (40   mg   L −1 ) under a 60   min UV 365 irradiation in the pH range 3–10. The different charge of five target contaminats greatly determined the surface-catalyzed degradation kinetics at natural solution pH in the order of cationic   >   neutral   >   anionic organics due to the negatively charged carbon-based aerogel matrix. The new identified desulfonation intermediates elucidated through UPLC–MS analysis indicated two reaction pathways: 1) hydroxylation and 2) desulfonation by-products followed by cleavage of the azo bond as the predominant degradation pathway of OII. The elimination of the acute toxicity of the parent contaminant to luminescent bacterium Q67 was consistent with the formation of less toxic degradation by-products identified. Free radical quenching studies accessed the role of hydroxyl radical ( OH), superoxide anion radical (O 2 − ) and singlet oxygen ( 1 O 2 ) as the dominating reactive oxygen species (ROS). The quantitative studies to measure radical concentrations using relative molecular probes showed the effective activation of H 2 O 2 led to high rate production of ROS accounted for OII degradation. The greatly enhanced photocatalytic property of this hybrid was correlated with the efficient conversion between Fe 2+ /Fe 3+ and synergistic coupling between α-FeOOH and carbon-based aerogel matrix evidenced through the formation of Fe O C chemical bonds was verified by X-ray photoelectron (XPS) analysis. Based on its simple and scalable preparation route as well as its excellent UV 365 or visible light-responsive catalytic performance, this hybrid exhibits a high potential to be used as an efficient and environmental-friendly catalyst for water remediation.

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Materials Today Bio · 2025 · IF 10.2

PtTe2-alginate hydrogels for combined photothermal-chemodynamic cancer therapy by inducing cell apoptosis via modulation of TNF-α-related signaling pathways

Jiayao Tong,Jiaqi Qin,Jianghao Xing,Huansuo Ren,Peng Cao,Hui Wang,Pengyu Pan,Xianwen Wang,Haowei Xue

Head and neck squamous cell carcinoma ranks as the sixth most common malignant tumor worldwide, with the majority of cases manifesting as oral squamous cell carcinoma (OSCC). The current clinical standard for treating OSCC consists of surgical resection followed by radiotherapy and chemotherapy. This multimodal approach, however, is associated with substantial morbidity, significant perioperative risk, and frequent systemic toxicities that markedly impair quality of life. Therefore, novel, more effective, and safer treatment strategies are urgently needed. Here, PtTe 2 nanorods were synthesized and encapsulated in sodium alginate (ALG) to form a novel injectable hydrogel for the precise treatment of OSCC. This ALG hydrogel prolongs the intratumoral retention of PtTe 2 , ensuring sustained local availability. PtTe 2 exhibits tumor microenvironment-responsive catalytic activity, catalyzing the conversion of hydrogen peroxide into highly toxic hydroxyl radicals via Fenton-like reactions. Moreover, PtTe 2 possesses exceptional photothermal conversion efficiency, enabling precise, light-driven hyperthermia that selectively and effectively ablates tumor cells. By synergistically accelerating the kinetics of Fenton-like reactions through photothermal effects, the generation of reactive oxygen species is substantially amplified, effectively overwhelming the antioxidant defense system and achieving significant antitumor effects. Both in vitro and in vivo experiments demonstrated that the PtTe 2 - ALG hydrogel achieved robust antitumor efficacy and excellent biosafety. Transcriptomic analyses revealed significant activation of apoptosis-related signaling cascades, elucidating the molecular mechanism of PtTe 2 - based tumor therapy. By combining chemodynamic and photothermal therapy within a single, injectable platform, this work provides a promising, low-toxicity strategy for the clinical management of OSCC.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Journal of the Taiwan Institute of Chemical Engineers · 2023 · IF 5.7

Bidirectional activation technology towards foam-like carbon nanosheets and its coupling with oxygen-deficient α‐MnO2 for ammonium-ion hybrid supercapacitors

Dewei Wang,Zhaorui Sun,Xinliang Han

Background Aqueous non-metallic ammonium ions (NH 4 + ) have newly been developed as a promising charge carrier for electrochemical energy storage owing to their high safety, abundance, and tiny hydrated ionic size. Producing reliable electrode materials with excellent electrochemical performance, however, remains a significant issue. Methods we proposed a bidirectional chemical activation strategy, which effective coupling “in to out” and “out to in” etching manner, to synthesize foam-like porous carbon nanosheets (FCNSs) with the surface area much larger than that samples obtained from the unidirectional mode. Meanwhile, oxygen-deficient α‐MnO 2 nanorods can be rationally obtained through mild redox reaction, both of which display excellent capacitive performance in dilute (NH 4 ) 2 SO 4 electrolyte (0.5 M). Significant findings the as-synthesized FCNSs and oxygen-deficient α‐MnO 2 nanorods can deliver a specific capacitance of 257.5 F g −1 and 525.1 F g −1 , respectively, demonstrating their huge potential to assemble ammonium-ion hybrid supercapacitor (A-HSC). Benefitting from the feasible electrochemical performance for both anode and cathode, the resulting A-HSC displays a specific capacitance of 180.8 F g −1 (calculated based on both anode and cathode) within 0–1.6 V, and a low self-discharge rate, which outperforms the state-of-the-art A-HSC devices. Importantly, the energy storage mechanism has been elucidated from several ex-situ characterizations.

✓ 已验证 DOI 高影响因子
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NEW JOURNAL OF CHEMISTRY · 2021 ·Vol. 45 ·期 36 ·16482-16489 · IF 3.591

Synthesis and characterization of an α-MoO3 nanobelt catalyst and its application in one-step conversion of fructose to 2,5-diformylfuran

Zhenzhen Yang,Bangchong Zhu,Yuhan He,Genlei Zhang,Peng Cui,Jianbo He

In this study, α-MoO3 nanobelts were successfully synthesized by a simple, green and economic hydrothermal method and applied as a bifunctional catalyst for one-step conversion of fructose to DFF under atmospheric air. The structure of the as-prepared α-MoO3 catalyst was characterized in detail by SEM, TEM, EDS, XRD, XPS, H2-TPR and NH3-TPD to better understand the relationship between structure and performance. α-MoO3 nanobelts exhibited high catalytic activities for production of DFF from HMF and fructose in atmospheric air. Under optimized reaction conditions, high DFF yields of 97.2% and 78.3% were obtained by using HMF and fructose as raw materials, respectively. Furthermore, a plausible reaction pathway was proposed for the selective oxidation of HMF to DFF according to the experimental and catalyst characterization results. Importantly, α-MoO3 is a robust catalyst that can be used at least five times without obvious loss in its catalytic activity. In brief, α-MoO3 is an easily-prepared, eco-friendly, low cost and highly effective catalyst which has potential application in one-step conversion of fructose to DFF under atmospheric air.

✓ 已验证 DOI 高影响因子
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APPLIED ORGANOMETALLIC CHEMISTRY · 2020 ·Vol. 34 ·期 4 ·e5451 · IF 3.14

Ru(II)-PBTNNXN complex bearing functional 2-(pyridin-2-yl)benzo[d]thiazole ligand catalyzed α-alkylation of nitriles with alcohols

Shuang Huang,Xi Hong,Yong Sun,He-Zhen Cui,Quan Zhou,Yue-Jian Lin,Xiu-Feng Hou

Six tridentate NNN ligand precursors derived from 2-(pyridin-2-yl)benzo[d]thiazole(PBT) with different linkers, PBT NN X N (X = NH, NMe, O, S) ( 1a – 1f ), have been successfully prepared. The electronic properties of PBT NN X N ligands are well tunable by differing linkers between PBT skeleton and the pyridine ring, and/or by introducing electron-donating/withdrawing groups on the pyridine ring (R = OMe or F). The ligand precursors and representative complexes Ru ( PBT NN NH N )Cl 2 (PPh 3 ) ( 2a ), Ru ( PBT NN NMe N )Cl 2 (PPh 3 ) ( 2b ), and Ru ( PBT NN S N )Cl 2 (PPh 3 ) ( 2f ) have been characterized by NMR spectroscopy, high-resolution mass spectroscopy, and Fourier transform infrared (FT-IR). The molecular structures of 1f , 2a , and 2f have been determined by X-ray diffraction study. The results indicate that PBT NN NH N ligand in the complex presented coplanar with two five-membered chelating rings. It should be noted that 2a featuring a NH group exhibits superior performance compared to those with other linkers (such as NMe, O, or S). A variety of heterocyclic and aromatic nitriles with aromatic and aliphatic alcohols have been explored in α -alkylation for good to excellent yields. Based on kinetic experiments and mechanistic studies, a proposed mechanism was put forward. Ru-H species and benzaldehyde, which was oxidized from benzyl alcohol, were detected in the catalytic cycle.

✓ 已验证 DOI 高影响因子
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SENSORS AND ACTUATORS B-CHEMICAL · 2018 · IF 5.667

Colorimetric detection of α-glucosidase activity based on the etching of gold nanorods and its application to screen anti-diabetic drugs

Xin Cheng,Yan Huang,Chao Yuan,Ke Dai,Hong Jiang,Jimei Ma

An ultrasensitive colorimetric method for α-glucosidase sensing based on iodine-mediated etching of gold nanorods (AuNRs) was developed. In this method, 2- O -α- d -glucopyranosyl- l -ascorbic acid (AA-2G) was used as an enzymatic substrate. The hydrolysate ascorbic acid in situ reduced KIO 3 to I 2 , which subsequently etched the AuNRs. A blue-shift of the localized surface plasmon resonance (LSPR) absorption of AuNRs was clearly observed by UV–vis spectroscopy and reflected with visual color changes. The shift showed a good linear relationship with the concentration of α-glucosidase during 2.5–45 U/L and a low α-glucosidase detection limit of 0.5 U/L was provided. This strategy was featured with low cost, simplicity, excellent sensitivity, high selectivity and successfully applied in the α-glucosidase inhibitor screening with Chinese Wolfberries as candidates.

✓ 已验证 DOI 高影响因子
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ANALYST · 2016 ·Vol. 141 ·期 4 ·1257-1265 · IF 4.033

A universal strategy for visual chiral recognition of α-amino acids with L-tartaric acid-capped gold nanoparticles as colorimetric probes

Guoxin Song,Fulin Zhou,Chunli Xu,Baoxin Li

The ability to recognize and quantify the chirality of alpha-amino acids constitutes the basis of many critical areas for specific targeting in drug development and metabolite probing. It is still challenging to conveniently distinguish the enantiomer of amino acids largely due to the lack of a universal and simple strategy. In this work, we report a strategy for the visual recognition of α-amino acids. It is based on the chirality of L-tartaric acid-capped gold nanoparticles (L-TA-capped AuNPs, ca. 13 nm in diameter). All of 19 right-handed α-amino acids can induce a red-to-blue color change of L-TA-capped AuNP solution, whereas all of the left-handed amino acids (except cysteine) cannot. The chiral recognition can be achieved by the naked eye and a simple spectrophotometer. This method does not require complicated chiral modification, and excels through its low-cost, good availability of materials and its simplicity. Another notable feature of this method is its high generality, and this method can discriminate almost all native α-amino acid enantiomers. This versatile method could be potentially used for high-throughput chiral recognition of amino acids.

✓ 已验证 DOI 高影响因子
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Molecular Catalysis · 2017 · IF 0

The influence of pore structure and Si/Al ratio of HZSM-5 zeolites on the product distributions of α-cellulose hydrolysis

Shuang Chu,Li’na Yang,Xingcui Guo,Linlin Dong,Xiufang Chen,Yaru Li,Xindong Mu

The catalytic behavior of a series of MFI catalysts with different Si/Al ratio (25–300) in the direct aqueous-phase hydrolysis of α-cellulose was studied. The effects ultrasonic pretreatment time, ZnCl 2 content, zeolite pore structure and acid-basic properties on catalyst activity and products distribution were systematically investigated. The results indicated that HZSM-5 with lower Si/Al ratio was beneficial for production of glucose and LA from α-cellulose. Ultrasonic pretreatment could decrease the degree of crystallinity and polymerization of α-cellulose, enhance the accessibility of acid sites and ZnCl 2 to the loosened amorphous regions of α-cellulose in water, and improve the hydrolysis efficiency of α-cellulose. The desilicated ZSM-5 (HZSM-5-DS(0.2)) showed much higher catalytic activities as compared to commercial ZSM-5 and α-cellulose conversion reached 76.5% over HZSM-5-DS(0.2) at 200   °C. Catalytic conversion of α-cellulose consisted of at least three important parallel reactions under the present hydrothermal conditions and a plausible pathway was proposed. Effective control of these reactions would be helpful to further maximize the target product yield during the catalytic conversion of α-cellulose.

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GREEN CHEMISTRY · 2019 ·Vol. 21 ·期 19 ·5336-5344 · IF 9.405

Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids

Da Yang,Huan Liu,Lei Liu,Wen-Di Guo,Yong Lu,Ye Liu

An amphiphilic tri-functional ligand (L1) containing a Lewis acidic phosphonium cation, a phosphino-fragment and a hydrophilic sulfonate anion (–SO3−) enabled Pd(OAc)2 to efficiently co-catalyze the hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids. These incorporated functional groups synergistically promoted the reaction, which proved more effective than the ligands lacking –SO3− and/or phosphonium and the mechanical mixtures of the individual functional groups independently. The molecular structure of Pd-L1 indicated that –SO3− in L1 served as a secondary O-donor ligand with reversible coordinating ability, cooperating with the phosphino-fragment to stabilize the Pd-catalyst. The in situ FT-IR analysis verified that the formation and stability of Pd–H active species in charge of hydroxycarbonylation were dramatically facilitated by the presence of L1. It was believed that, over the L1-based Pd-catalyst, H2O was cooperatively activated by the Lewis acidic phosphonium via “acid–base pair” interaction (H2O → P(V)+) and by the hydrophilic SO3−via hydrogen bonding (SO3−⋯H2O), giving rise to the formation of dimeric and mono-nuclear Pd–H species driven by reversible SO3−-coordination. In addition, the L1-based Pd-catalyst could be immobilized in the ionic liquid [Bmim]NTf2 for six-run recycling uses without obvious activity loss and detectable metal leaching.

✓ 已验证 DOI 高影响因子
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JOURNAL OF NANOBIOTECHNOLOGY · 2026 · IF 15

Tetrahedral framework nucleic acids loaded with resveratrol and TNF-α aptamer for the treatment of peripheral joint lesions in ankylosing spondylitis

Wang Lihang,Liu Botao,Lu Tingsheng,Luo Chunshan,Li Zhongzhe,Lin Yunfeng

Ankylosing spondylitis (AS) is a chronic systemic inflammatory disease affecting the spine, sacroiliac and peripheral joints, with TNF-α as a core pro-inflammatory cytokine. Macrophages, as major TNF-α producers, form a positive feedback loop that amplifies local inflammatory responses. The use of clinical TNF inhibitors such as infliximab is limited by their high cost and high recurrence rate. This study constructs a targeted nano-delivery system named RSV@tFNAs-TNFαapt, by conjugating TNF-α aptamer to tetrahedral DNA nanostructures and loading resveratrol, a natural polyphenol with potent anti-inflammatory, antioxidant and immunomodulatory activities. The nanosystem showed uniform morphology, good stability and high cell uptake efficiency. In vitro, it promotes M2 macrophage polarization, inhibits pro-inflammatory and tissue-destruction-related factors, and reduced ROS production in synovial fibroblasts. In an AS rat model, it improves motor function, relieves joint swelling, alleviates spinal inflammation and structural damage, and reduces the production of peripheral inflammatory factors. Histopathology results confirms less inflammatory cell infiltration and protected cartilage and bone structure. In summary, RSV@tFNAs-TNFαapt exerts significant targeted anti-inflammatory and joint-protective effects, providing a complementary therapeutic strategy for AS, especially for peripheral joint lesions. Graphical abstract

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FOOD CHEMISTRY · 2025 · IF 9.8

Structure characterization and construction analysis of a calcium-vitamin D3 co-delivery aqueous solution system based on α-cyclodextrin/casein phosphopeptide

Yifu Zhang,Jiawang Zhang,Yuanda Zhao,Menghang Zhou,Xixian Xie,Ye Chen

A aqueous co-delivery system for calcium ions (Ca 2+ ) and vitamin D 3 (VD 3 ) was developed to achieve their co-loading and synergistic release. The quaternary complex α-cyclodextrin-VD 3 @casein phosphopeptide‑calcium chelate (α-CD-VD 3 @CPP-Ca 2+ ), prepared from α-CD-VD 3 and CPP-Ca 2+ , exhibited a particle size of 419.46 ± 1.52 nm and a zeta potential of −28.39 ± 1.21 mV. Spectroscopic analysis revealed that α-CD-VD 3 and CPP-Ca 2+ were associated via hydrogen bonds and van der Waals forces. The complex showed good dispersibility in aqueous solution and enhanced stability across different pH values and salt ion environments. In vitro release experiments indicated that the complex remained stable in simulated gastric fluid (SGF) and achieved high release efficiencies of 78.39 % for VD 3 and 84.12 % for Ca 2+ in simulated intestinal fluid (SIF). This study provides an effective solution for improving the synergistic utilization of VD 3 and Ca 2+ .

CAS / MDL: 9032-08-0
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